#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:30:38 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178785 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/39/4103943.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4103943
loop_
_publ_author_name
'In Chung'
'Jung-Hwan Song'
'Joon I. Jang'
'Arthur J. Freeman'
'John B. Ketterson'
'Mercouri G. Kanatzidis'
_publ_contact_author_address
;
Prof. Mercouri Kanatzidis
Department of Chemistry
Northwestern University
Evanston
IL
60208
UNITED STATES OF AMERICA
;
_publ_contact_author_email       m-kanatzidis@northwestern.edu
_publ_contact_author_name        'Prof. Mercouri G. Kanatzidis'
_publ_section_title
;
 Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between
 Coordination Complexes: Strong Nonlinear Optical Second Harmonic
 Generation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2647
_journal_page_last               2656
_journal_paper_doi               10.1021/ja808242g
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'Bi P4 Se12, 5(Cs)'
_chemical_formula_sum            'Bi Cs5 P4 Se12'
_chemical_formula_weight         1944.93
_chemical_melting_point          863
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5357(2)
_cell_length_b                   13.7783(6)
_cell_length_c                   28.0807(8)
_cell_measurement_reflns_used    18044
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      35.18
_cell_measurement_theta_min      2.63
_cell_volume                     2915.59(17)
_computing_cell_refinement       'STOE X-Area'
_computing_data_collection       'STOE X-Area'
_computing_data_reduction        'STOE X-Area'
_computing_molecular_graphics    'CrystalMaker 1.45'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'incremental omega oscillation 1.0°'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_sigmaI/netI    0.0783
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            18838
_diffrn_reflns_theta_full        26.95
_diffrn_reflns_theta_max         26.95
_diffrn_reflns_theta_min         2.63
_diffrn_standards_interval_count 1.0
_diffrn_standards_interval_time  15.0
_exptl_absorpt_coefficient_mu    27.392
_exptl_absorpt_correction_T_max  0.6727
_exptl_absorpt_correction_T_min  0.2265
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Using XRED & XSHAPE programs'
_exptl_crystal_colour            'Dark red'
_exptl_crystal_density_diffrn    4.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin wire'
_exptl_crystal_F_000             3304
_exptl_crystal_size_max          0.1189
_exptl_crystal_size_mid          0.0006
_exptl_crystal_size_min          0.0006
_refine_diff_density_max         2.198
_refine_diff_density_min         -3.339
_refine_diff_density_rms         0.481
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.57(1)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         6306
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0626
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0444P)²+43.6106P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1207
_reflns_number_gt                5346
_reflns_number_total             6306
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja808242g_si_001.cif
_cod_data_source_block           test
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               4103943
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, z+1/2'
'-x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Bi1 Bi 0.5000 0.16811(8) 0.42185(4) 0.0058(2) Uani 1 2 d S
Bi2 Bi 0.0000 0.34063(9) 0.17765(4) 0.0103(2) Uani 1 2 d S
Cs1 Cs 0.5000 0.14946(15) 0.18624(6) 0.0099(4) Uani 1 2 d S
Cs2 Cs 0.5000 0.15106(17) 0.00846(7) 0.0174(4) Uani 1 2 d S
Cs3 Cs 0.5000 0.1680(2) 0.68084(9) 0.0218(4) Uani 1 2 d S
Cs4 Cs 0.5000 0.51321(17) 0.35419(9) 0.0195(5) Uani 1 2 d S
Cs5 Cs 0.5000 0.52124(17) 0.16528(9) 0.0212(5) Uani 1 2 d S
Cs6 Cs 0.0000 0.13555(14) 0.51392(7) 0.0092(4) Uani 1 2 d S
Cs7 Cs 0.0000 0.16749(19) 0.32468(7) 0.0202(5) Uani 1 2 d S
Cs8A Cs 0.0000 0.1680(2) 0.67797(9) 0.0206(6) Uani 0.952(5) 2 d SP
Cs8B Cs -0.108(6) 0.171(2) 0.6823(12) 0.0206(6) Uani 0.024(5) 1 d P
Cs9 Cs 0.0000 0.49525(16) 0.02093(9) 0.0174(5) Uani 1 2 d S
Cs10 Cs 0.0000 0.78789(18) 0.35591(8) 0.0216(5) Uani 1 2 d S
Se1 Se 0.2540(3) 0.0382(2) 0.77183(8) 0.0185(5) Uani 1 1 d .
Se2 Se 0.5000 0.1658(3) 0.31553(10) 0.0122(6) Uani 1 2 d S
Se3 Se 0.5000 0.7873(3) 0.37528(14) 0.0206(8) Uani 1 2 d S
Se4 Se 0.2597(3) 0.00238(19) 0.41221(8) 0.0149(5) Uani 1 1 d .
Se5 Se 0.2594(3) 0.31372(18) 0.58733(8) 0.0119(5) Uani 1 1 d .
Se6 Se 0.5000 0.1308(2) 0.52104(11) 0.0085(6) Uani 1 2 d S
Se7 Se 0.5000 0.4745(2) 0.00356(16) 0.0208(8) Uani 1 2 d S
Se8 Se 0.2633(3) 0.33224(18) 0.44234(7) 0.0124(4) Uani 1 1 d .
Se9 Se 0.2406(3) 0.00826(17) 0.10046(8) 0.0107(4) Uani 1 1 d .
Se10 Se 0.0000 0.1339(2) 0.19328(11) 0.0104(6) Uani 1 2 d S
Se11 Se 0.0000 0.1846(3) 0.00030(12) 0.0223(9) Uani 1 2 d S
Se12 Se 0.2378(3) 0.30248(17) 0.09621(9) 0.0126(5) Uani 1 1 d .
Se13 Se 0.0000 0.4821(4) 0.35643(14) 0.0286(10) Uani 1 2 d S
Se14 Se 0.2390(3) 0.37340(18) 0.25762(10) 0.0200(5) Uani 1 1 d .
Se15 Se 0.2467(3) 0.66310(19) 0.26046(9) 0.0173(5) Uani 1 1 d .
Se16 Se 0.0000 0.5509(2) 0.16526(11) 0.0112(6) Uani 1 2 d S
P1 P 0.5000 0.0050(7) 0.3042(3) 0.0152(16) Uani 1 2 d S
P2 P 0.5000 0.0594(6) 0.8775(3) 0.0117(16) Uani 1 2 d S
P3 P 0.5000 0.2792(6) 0.5492(3) 0.0073(14) Uani 1 2 d S
P4 P 0.5000 0.3750(6) 0.4835(3) 0.0093(15) Uani 1 2 d S
P5 P 0.0000 0.0871(6) 0.1187(3) 0.0079(15) Uani 1 2 d S
P6 P 0.0000 0.2200(6) 0.0737(3) 0.0069(15) Uani 1 2 d S
P7 P 0.0000 0.4521(7) 0.2829(3) 0.0177(18) Uani 1 2 d S
P8 P 0.0000 0.5922(7) 0.2417(3) 0.0159(18) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Se6 Bi1 Se4 87.09(7) . 4_655
Se6 Bi1 Se4 87.09(7) . .
Se4 Bi1 Se4 76.45(10) 4_655 .
Se6 Bi1 Se8 86.98(7) . .
Se4 Bi1 Se8 174.01(7) 4_655 .
Se4 Bi1 Se8 104.06(6) . .
Se6 Bi1 Se8 86.98(7) . 4_655
Se4 Bi1 Se8 104.06(6) 4_655 4_655
Se4 Bi1 Se8 174.01(7) . 4_655
Se8 Bi1 Se8 74.79(9) . 4_655
Se6 Bi1 Se2 168.91(10) . .
Se4 Bi1 Se2 84.21(7) 4_655 .
Se4 Bi1 Se2 84.21(7) . .
Se8 Bi1 Se2 101.78(7) . .
Se8 Bi1 Se2 101.78(7) 4_655 .
Se6 Bi1 Cs6 55.15(2) . 1_655
Se4 Bi1 Cs6 57.87(5) 4_655 1_655
Se4 Bi1 Cs6 118.92(6) . 1_655
Se8 Bi1 Cs6 117.60(5) . 1_655
Se8 Bi1 Cs6 57.76(5) 4_655 1_655
Se2 Bi1 Cs6 124.19(2) . 1_655
Se6 Bi1 Cs6 55.15(2) . .
Se4 Bi1 Cs6 118.92(6) 4_655 .
Se4 Bi1 Cs6 57.87(5) . .
Se8 Bi1 Cs6 57.76(5) . .
Se8 Bi1 Cs6 117.60(5) 4_655 .
Se2 Bi1 Cs6 124.19(2) . .
Cs6 Bi1 Cs6 110.29(5) 1_655 .
Se6 Bi1 Cs7 125.20(3) . 1_655
Se4 Bi1 Cs7 56.16(6) 4_655 1_655
Se4 Bi1 Cs7 116.45(6) . 1_655
Se8 Bi1 Cs7 127.46(6) . 1_655
Se8 Bi1 Cs7 67.94(5) 4_655 1_655
Se2 Bi1 Cs7 54.09(2) . 1_655
Cs6 Bi1 Cs7 70.46(3) 1_655 1_655
Cs6 Bi1 Cs7 174.10(5) . 1_655
Se6 Bi1 Cs7 125.20(3) . .
Se4 Bi1 Cs7 116.45(6) 4_655 .
Se4 Bi1 Cs7 56.16(6) . .
Se8 Bi1 Cs7 67.94(5) . .
Se8 Bi1 Cs7 127.46(6) 4_655 .
Se2 Bi1 Cs7 54.09(2) . .
Cs6 Bi1 Cs7 174.10(5) 1_655 .
Cs6 Bi1 Cs7 70.46(3) . .
Cs7 Bi1 Cs7 108.18(5) 1_655 .
Se10 Bi2 Se14 92.05(8) . 4
Se10 Bi2 Se14 92.05(8) . .
Se14 Bi2 Se14 76.36(11) 4 .
Se10 Bi2 Se16 178.10(11) . .
Se14 Bi2 Se16 86.45(8) 4 .
Se14 Bi2 Se16 86.45(8) . .
Se10 Bi2 Se12 86.67(7) . 4
Se14 Bi2 Se12 104.43(6) 4 4
Se14 Bi2 Se12 178.51(9) . 4
Se16 Bi2 Se12 94.84(8) . 4
Se10 Bi2 Se12 86.67(7) . .
Se14 Bi2 Se12 178.51(9) 4 .
Se14 Bi2 Se12 104.44(6) . .
Se16 Bi2 Se12 94.84(8) . .
Se12 Bi2 Se12 74.74(10) 4 .
Se10 Bi2 Cs5 123.69(3) . .
Se14 Bi2 Cs5 119.23(7) 4 .
Se14 Bi2 Cs5 57.30(7) . .
Se16 Bi2 Cs5 56.31(3) . .
Se12 Bi2 Cs5 122.91(7) 4 .
Se12 Bi2 Cs5 62.19(6) . .
Se10 Bi2 Cs5 123.69(3) . 1_455
Se14 Bi2 Cs5 57.30(7) 4 1_455
Se14 Bi2 Cs5 119.23(7) . 1_455
Se16 Bi2 Cs5 56.31(3) . 1_455
Se12 Bi2 Cs5 62.19(6) 4 1_455
Se12 Bi2 Cs5 122.91(7) . 1_455
Cs5 Bi2 Cs5 112.61(6) . 1_455
Se10 Bi2 Cs1 55.01(2) . 1_455
Se14 Bi2 Cs1 62.76(6) 4 1_455
Se14 Bi2 Cs1 123.66(7) . 1_455
Se16 Bi2 Cs1 125.05(3) . 1_455
Se12 Bi2 Cs1 56.08(5) 4 1_455
Se12 Bi2 Cs1 115.82(6) . 1_455
Cs5 Bi2 Cs1 177.94(5) . 1_455
Cs5 Bi2 Cs1 68.74(3) 1_455 1_455
Se10 Bi2 Cs1 55.01(2) . .
Se14 Bi2 Cs1 123.65(7) 4 .
Se14 Bi2 Cs1 62.76(5) . .
Se16 Bi2 Cs1 125.05(3) . .
Se12 Bi2 Cs1 115.82(6) 4 .
Se12 Bi2 Cs1 56.08(5) . .
Cs5 Bi2 Cs1 68.74(3) . .
Cs5 Bi2 Cs1 177.94(5) 1_455 .
Cs1 Bi2 Cs1 109.86(5) 1_455 .
Se2 Cs1 Se9 133.59(7) . 4_655
Se2 Cs1 Se9 133.59(7) . .
Se9 Cs1 Se9 64.53(8) 4_655 .
Se2 Cs1 Se10 87.21(5) . 1_655
Se9 Cs1 Se10 58.13(6) 4_655 1_655
Se9 Cs1 Se10 122.44(8) . 1_655
Se2 Cs1 Se10 87.21(5) . .
Se9 Cs1 Se10 122.44(8) 4_655 .
Se9 Cs1 Se10 58.13(6) . .
Se10 Cs1 Se10 171.14(11) 1_655 .
Se2 Cs1 Se12 128.55(7) . 4_655
Se9 Cs1 Se12 65.41(6) 4_655 4_655
Se9 Cs1 Se12 97.66(7) . 4_655
Se10 Cs1 Se12 63.42(6) 1_655 4_655
Se10 Cs1 Se12 125.36(7) . 4_655
Se2 Cs1 Se12 128.55(7) . .
Se9 Cs1 Se12 97.66(7) 4_655 .
Se9 Cs1 Se12 65.41(6) . .
Se10 Cs1 Se12 125.36(7) 1_655 .
Se10 Cs1 Se12 63.42(6) . .
Se12 Cs1 Se12 61.95(7) 4_655 .
Se2 Cs1 P1 34.54(14) . .
Se9 Cs1 P1 106.88(13) 4_655 .
Se9 Cs1 P1 106.88(13) . .
Se10 Cs1 P1 85.75(5) 1_655 .
Se10 Cs1 P1 85.75(5) . .
Se12 Cs1 P1 147.91(5) 4_655 .
Se12 Cs1 P1 147.91(5) . .
Se2 Cs1 Se1 55.84(6) . 2_654
Se9 Cs1 Se1 78.68(6) 4_655 2_654
Se9 Cs1 Se1 107.46(7) . 2_654
Se10 Cs1 Se1 57.87(6) 1_655 2_654
Se10 Cs1 Se1 113.27(7) . 2_654
Se12 Cs1 Se1 120.92(5) 4_655 2_654
Se12 Cs1 Se1 172.87(8) . 2_654
P1 Cs1 Se1 31.72(7) . 2_654
Se2 Cs1 Se1 55.84(6) . 3_554
Se9 Cs1 Se1 107.46(7) 4_655 3_554
Se9 Cs1 Se1 78.68(6) . 3_554
Se10 Cs1 Se1 113.27(7) 1_655 3_554
Se10 Cs1 Se1 57.87(6) . 3_554
Se12 Cs1 Se1 172.87(8) 4_655 3_554
Se12 Cs1 Se1 120.92(5) . 3_554
P1 Cs1 Se1 31.72(7) . 3_554
Se1 Cs1 Se1 55.40(8) 2_654 3_554
Se2 Cs1 Se14 58.31(7) . 4_655
Se9 Cs1 Se14 117.22(5) 4_655 4_655
Se9 Cs1 Se14 163.87(7) . 4_655
Se10 Cs1 Se14 63.06(7) 1_655 4_655
Se10 Cs1 Se14 119.13(8) . 4_655
Se12 Cs1 Se14 70.59(6) 4_655 4_655
Se12 Cs1 Se14 98.79(7) . 4_655
P1 Cs1 Se14 88.22(13) . 4_655
Se1 Cs1 Se14 88.34(6) 2_654 4_655
Se1 Cs1 Se14 114.16(7) 3_554 4_655
Se2 Cs1 Se14 58.31(7) . .
Se9 Cs1 Se14 163.87(7) 4_655 .
Se9 Cs1 Se14 117.22(5) . .
Se10 Cs1 Se14 119.13(8) 1_655 .
Se10 Cs1 Se14 63.06(7) . .
Se12 Cs1 Se14 98.79(7) 4_655 .
Se12 Cs1 Se14 70.59(6) . .
P1 Cs1 Se14 88.22(13) . .
Se1 Cs1 Se14 114.16(7) 2_654 .
Se1 Cs1 Se14 88.34(6) 3_554 .
Se14 Cs1 Se14 56.25(8) 4_655 .
Se12 Cs2 Se12 62.93(8) . 4_655
Se12 Cs2 Se9 64.74(5) . .
Se12 Cs2 Se9 96.41(7) 4_655 .
Se12 Cs2 Se9 96.41(7) . 4_655
Se12 Cs2 Se9 64.74(5) 4_655 4_655
Se9 Cs2 Se9 62.09(8) . 4_655
Se12 Cs2 Se11 119.30(9) . 1_655
Se12 Cs2 Se11 56.98(7) 4_655 1_655
Se9 Cs2 Se11 127.96(8) . 1_655
Se9 Cs2 Se11 66.00(7) 4_655 1_655
Se12 Cs2 Se11 56.98(7) . .
Se12 Cs2 Se11 119.30(9) 4_655 .
Se9 Cs2 Se11 66.00(7) . .
Se9 Cs2 Se11 127.96(8) 4_655 .
Se11 Cs2 Se11 164.40(14) 1_655 .
Se12 Cs2 Se3 120.85(8) . 2_664
Se12 Cs2 Se3 120.85(8) 4_655 2_664
Se9 Cs2 Se3 141.23(6) . 2_664
Se9 Cs2 Se3 141.23(6) 4_655 2_664
Se11 Cs2 Se3 85.09(6) 1_655 2_664
Se11 Cs2 Se3 85.08(6) . 2_664
Se12 Cs2 Se4 120.67(5) . 3_554
Se12 Cs2 Se4 175.88(6) 4_655 3_554
Se9 Cs2 Se4 87.20(6) . 3_554
Se9 Cs2 Se4 115.64(8) 4_655 3_554
Se11 Cs2 Se4 119.13(8) 1_655 3_554
Se11 Cs2 Se4 64.01(7) . 3_554
Se3 Cs2 Se4 56.04(6) 2_664 3_554
Se12 Cs2 Se4 175.88(6) . 2_654
Se12 Cs2 Se4 120.67(5) 4_655 2_654
Se9 Cs2 Se4 115.64(8) . 2_654
Se9 Cs2 Se4 87.20(6) 4_655 2_654
Se11 Cs2 Se4 64.01(7) 1_655 2_654
Se11 Cs2 Se4 119.13(8) . 2_654
Se3 Cs2 Se4 56.04(6) 2_664 2_654
Se4 Cs2 Se4 55.65(7) 3_554 2_654
Se12 Cs2 P2 142.63(8) . 1_554
Se12 Cs2 P2 142.63(8) 4_655 1_554
Se9 Cs2 P2 118.42(12) . 1_554
Se9 Cs2 P2 118.42(12) 4_655 1_554
Se11 Cs2 P2 89.00(6) 1_655 1_554
Se11 Cs2 P2 89.00(6) . 1_554
Se3 Cs2 P2 31.76(14) 2_664 1_554
Se4 Cs2 P2 33.30(7) 3_554 1_554
Se4 Cs2 P2 33.30(7) 2_654 1_554
Se12 Cs2 Se6 119.33(7) . 2_654
Se12 Cs2 Se6 119.34(7) 4_655 2_654
Se9 Cs2 Se6 54.64(6) . 2_654
Se9 Cs2 Se6 54.64(6) 4_655 2_654
Se11 Cs2 Se6 97.27(7) 1_655 2_654
Se11 Cs2 Se6 97.27(7) . 2_654
Se3 Cs2 Se6 107.99(9) 2_664 2_654
Se4 Cs2 Se6 61.34(6) 3_554 2_654
Se4 Cs2 Se6 61.35(6) 2_654 2_654
P2 Cs2 Se6 76.23(14) 1_554 2_654
Se12 Cs2 Cs1 49.57(5) . .
Se12 Cs2 Cs1 49.57(5) 4_655 .
Se9 Cs2 Cs1 46.85(5) . .
Se9 Cs2 Cs1 46.85(5) 4_655 .
Se11 Cs2 Cs1 93.48(6) 1_655 .
Se11 Cs2 Cs1 93.48(6) . .
Se3 Cs2 Cs1 167.46(9) 2_664 .
Se4 Cs2 Cs1 133.96(6) 3_554 .
Se4 Cs2 Cs1 133.96(6) 2_654 .
P2 Cs2 Cs1 160.78(14) 1_554 .
Se6 Cs2 Cs1 84.55(6) 2_654 .
Cs8B Cs3 Cs8B 177.6(13) 1_655 4
Cs8B Cs3 Se1 59.1(6) 1_655 4_655
Cs8B Cs3 Se1 120.6(6) 4 4_655
Cs8B Cs3 Se1 120.6(6) 1_655 .
Cs8B Cs3 Se1 59.1(6) 4 .
Se1 Cs3 Se1 61.46(9) 4_655 .
Cs8B Cs3 Se15 58.2(7) 1_655 2_665
Cs8B Cs3 Se15 119.4(7) 4 2_665
Se1 Cs3 Se15 68.02(7) 4_655 2_665
Se1 Cs3 Se15 98.40(8) . 2_665
Cs8B Cs3 Se15 119.4(7) 1_655 3_565
Cs8B Cs3 Se15 58.2(7) 4 3_565
Se1 Cs3 Se15 98.40(8) 4_655 3_565
Se1 Cs3 Se15 68.02(7) . 3_565
Se15 Cs3 Se15 61.21(9) 2_665 3_565
Cs8B Cs3 Cs8A 2.2(7) 1_655 1_655
Cs8B Cs3 Cs8A 179.0(7) 4 1_655
Se1 Cs3 Cs8A 60.28(6) 4_655 1_655
Se1 Cs3 Cs8A 121.73(9) . 1_655
Se15 Cs3 Cs8A 60.24(7) 2_665 1_655
Se15 Cs3 Cs8A 121.45(9) 3_565 1_655
Cs8B Cs3 Cs8A 179.0(7) 1_655 .
Cs8B Cs3 Cs8A 2.2(7) 4 .
Se1 Cs3 Cs8A 121.73(9) 4_655 .
Se1 Cs3 Cs8A 60.27(6) . .
Se15 Cs3 Cs8A 121.45(9) 2_665 .
Se15 Cs3 Cs8A 60.24(7) 3_565 .
Cs8A Cs3 Cs8A 177.56(12) 1_655 .
Cs8B Cs3 Se5 118.8(6) 1_655 .
Cs8B Cs3 Se5 61.3(6) 4 .
Se1 Cs3 Se5 177.10(9) 4_655 .
Se1 Cs3 Se5 120.48(5) . .
Se15 Cs3 Se5 109.24(8) 2_665 .
Se15 Cs3 Se5 80.78(7) 3_565 .
Cs8A Cs3 Se5 117.77(8) 1_655 .
Cs8A Cs3 Se5 60.29(6) . .
Cs8B Cs3 Se5 61.3(6) 1_655 4_655
Cs8B Cs3 Se5 118.8(6) 4 4_655
Se1 Cs3 Se5 120.48(5) 4_655 4_655
Se1 Cs3 Se5 177.10(9) . 4_655
Se15 Cs3 Se5 80.78(7) 2_665 4_655
Se15 Cs3 Se5 109.24(8) 3_565 4_655
Cs8A Cs3 Se5 60.29(6) 1_655 4_655
Cs8A Cs3 Se5 117.77(8) . 4_655
Se5 Cs3 Se5 57.49(8) . 4_655
Cs8B Cs3 Se9 121.7(7) 1_655 3
Cs8B Cs3 Se9 60.7(7) 4 3
Se1 Cs3 Se9 111.20(8) 4_655 3
Se1 Cs3 Se9 80.95(7) . 3
Se15 Cs3 Se9 179.18(9) 2_665 3
Se15 Cs3 Se9 118.86(5) 3_565 3
Cs8A Cs3 Se9 119.69(9) 1_655 3
Cs8A Cs3 Se9 58.65(6) . 3
Se5 Cs3 Se9 71.54(6) . 3
Se5 Cs3 Se9 99.90(8) 4_655 3
Cs8B Cs3 Se9 60.7(7) 1_655 2_655
Cs8B Cs3 Se9 121.7(7) 4 2_655
Se1 Cs3 Se9 80.95(7) 4_655 2_655
Se1 Cs3 Se9 111.20(8) . 2_655
Se15 Cs3 Se9 118.86(5) 2_665 2_655
Se15 Cs3 Se9 179.18(9) 3_565 2_655
Cs8A Cs3 Se9 58.65(6) 1_655 2_655
Cs8A Cs3 Se9 119.69(9) . 2_655
Se5 Cs3 Se9 99.89(8) . 2_655
Se5 Cs3 Se9 71.54(6) 4_655 2_655
Se9 Cs3 Se9 61.05(8) 3 2_655
Se13 Cs4 Se13 166.87(16) 1_655 .
Se13 Cs4 Se3 96.27(8) 1_655 .
Se13 Cs4 Se3 96.27(8) . .
Se13 Cs4 Se15 65.14(8) 1_655 4_655
Se13 Cs4 Se15 124.36(9) . 4_655
Se3 Cs4 Se15 64.92(7) . 4_655
Se13 Cs4 Se15 124.36(9) 1_655 .
Se13 Cs4 Se15 65.14(8) . .
Se3 Cs4 Se15 64.92(7) . .
Se15 Cs4 Se15 59.42(8) 4_655 .
Se13 Cs4 Se14 117.44(10) 1_655 .
Se13 Cs4 Se14 56.61(8) . .
Se3 Cs4 Se14 126.96(8) . .
Se15 Cs4 Se14 92.29(8) 4_655 .
Se15 Cs4 Se14 62.32(6) . .
Se13 Cs4 Se14 56.61(8) 1_655 4_655
Se13 Cs4 Se14 117.44(10) . 4_655
Se3 Cs4 Se14 126.96(8) . 4_655
Se15 Cs4 Se14 62.32(6) 4_655 4_655
Se15 Cs4 Se14 92.29(8) . 4_655
Se14 Cs4 Se14 61.18(9) . 4_655
Se13 Cs4 Se8 111.57(9) 1_655 .
Se13 Cs4 Se8 57.88(7) . .
Se3 Cs4 Se8 121.86(8) . .
Se15 Cs4 Se8 173.16(8) 4_655 .
Se15 Cs4 Se8 122.97(5) . .
Se14 Cs4 Se8 83.97(7) . .
Se14 Cs4 Se8 110.84(8) 4_655 .
Se13 Cs4 Se8 57.88(7) 1_655 4_655
Se13 Cs4 Se8 111.57(9) . 4_655
Se3 Cs4 Se8 121.86(8) . 4_655
Se15 Cs4 Se8 122.97(5) 4_655 4_655
Se15 Cs4 Se8 173.16(8) . 4_655
Se14 Cs4 Se8 110.84(8) . 4_655
Se14 Cs4 Se8 83.97(7) 4_655 4_655
Se8 Cs4 Se8 53.83(7) . 4_655
Se13 Cs4 P4 86.15(7) 1_655 .
Se13 Cs4 P4 86.15(7) . .
Se3 Cs4 P4 108.75(14) . .
Se15 Cs4 P4 148.66(6) 4_655 .
Se15 Cs4 P4 148.66(6) . .
Se14 Cs4 P4 112.96(11) . .
Se14 Cs4 P4 112.96(11) 4_655 .
Se8 Cs4 P4 31.77(6) . .
Se8 Cs4 P4 31.77(6) 4_655 .
Se13 Cs4 Se7 89.31(7) 1_655 2_665
Se13 Cs4 Se7 89.31(7) . 2_665
Se3 Cs4 Se7 78.79(9) . 2_665
Se15 Cs4 Se7 131.39(7) 4_655 2_665
Se15 Cs4 Se7 131.39(7) . 2_665
Se14 Cs4 Se7 136.16(7) . 2_665
Se14 Cs4 Se7 136.16(7) 4_655 2_665
Se8 Cs4 Se7 52.97(6) . 2_665
Se8 Cs4 Se7 52.97(6) 4_655 2_665
P4 Cs4 Se7 29.97(12) . 2_665
Se13 Cs4 Cs5 91.09(7) 1_655 .
Se13 Cs4 Cs5 91.09(7) . .
Se3 Cs4 Cs5 97.72(8) . .
Se15 Cs4 Cs5 46.03(5) 4_655 .
Se15 Cs4 Cs5 46.03(5) . .
Se14 Cs4 Cs5 46.27(5) . .
Se14 Cs4 Cs5 46.27(5) 4_655 .
Se8 Cs4 Cs5 129.89(6) . .
Se8 Cs4 Cs5 129.89(6) 4_655 .
P4 Cs4 Cs5 153.53(12) . .
Se7 Cs4 Cs5 176.50(9) 2_665 .
Se5 Cs5 Se5 59.75(8) 3_564 2_664
Se5 Cs5 Se16 115.33(8) 3_564 1_655
Se5 Cs5 Se16 55.77(6) 2_664 1_655
Se5 Cs5 Se16 55.77(6) 3_564 .
Se5 Cs5 Se16 115.33(8) 2_664 .
Se16 Cs5 Se16 167.63(12) 1_655 .
Se5 Cs5 Se15 110.48(8) 3_564 4_655
Se5 Cs5 Se15 81.50(7) 2_664 4_655
Se16 Cs5 Se15 56.53(6) 1_655 4_655
Se16 Cs5 Se15 116.21(9) . 4_655
Se5 Cs5 Se15 81.50(7) 3_564 .
Se5 Cs5 Se15 110.48(8) 2_664 .
Se16 Cs5 Se15 116.21(9) 1_655 .
Se16 Cs5 Se15 56.53(6) . .
Se15 Cs5 Se15 59.93(9) 4_655 .
Se5 Cs5 Se14 173.08(10) 3_564 4_655
Se5 Cs5 Se14 118.85(5) 2_664 4_655
Se16 Cs5 Se14 63.13(6) 1_655 4_655
Se16 Cs5 Se14 124.50(8) . 4_655
Se15 Cs5 Se14 62.82(7) 4_655 4_655
Se15 Cs5 Se14 93.14(8) . 4_655
Se5 Cs5 Se14 118.85(5) 3_564 .
Se5 Cs5 Se14 173.08(10) 2_664 .
Se16 Cs5 Se14 124.51(8) 1_655 .
Se16 Cs5 Se14 63.13(6) . .
Se15 Cs5 Se14 93.14(8) 4_655 .
Se15 Cs5 Se14 62.82(7) . .
Se14 Cs5 Se14 61.62(8) 4_655 .
Se5 Cs5 Se12 114.56(8) 3_564 4_655
Se5 Cs5 Se12 86.26(6) 2_664 4_655
Se16 Cs5 Se12 66.38(6) 1_655 4_655
Se16 Cs5 Se12 124.00(8) . 4_655
Se15 Cs5 Se12 117.83(5) 4_655 4_655
Se15 Cs5 Se12 161.64(8) . 4_655
Se14 Cs5 Se12 71.46(6) 4_655 4_655
Se14 Cs5 Se12 100.17(7) . 4_655
Se5 Cs5 Se12 86.26(6) 3_564 .
Se5 Cs5 Se12 114.56(8) 2_664 .
Se16 Cs5 Se12 124.00(8) 1_655 .
Se16 Cs5 Se12 66.38(6) . .
Se15 Cs5 Se12 161.64(8) 4_655 .
Se15 Cs5 Se12 117.83(5) . .
Se14 Cs5 Se12 100.17(7) 4_655 .
Se14 Cs5 Se12 71.46(6) . .
Se12 Cs5 Se12 57.73(8) 4_655 .
Se5 Cs5 Cs3 55.91(6) 3_564 2_664
Se5 Cs5 Cs3 55.91(6) 2_664 2_664
Se16 Cs5 Cs3 83.85(6) 1_655 2_664
Se16 Cs5 Cs3 83.85(6) . 2_664
Se15 Cs5 Cs3 54.57(6) 4_655 2_664
Se15 Cs5 Cs3 54.57(6) . 2_664
Se14 Cs5 Cs3 117.34(7) 4_655 2_664
Se14 Cs5 Cs3 117.34(7) . 2_664
Se12 Cs5 Cs3 141.33(6) 4_655 2_664
Se12 Cs5 Cs3 141.33(6) . 2_664
Se5 Cs5 Bi2 143.50(7) 3_564 1_655
Se5 Cs5 Bi2 88.57(4) 2_664 1_655
Se16 Cs5 Bi2 39.83(5) 1_655 1_655
Se16 Cs5 Bi2 152.42(7) . 1_655
Se15 Cs5 Bi2 79.15(4) 4_655 1_655
Se15 Cs5 Bi2 130.01(7) . 1_655
Se14 Cs5 Bi2 39.69(4) 4_655 1_655
Se14 Cs5 Bi2 94.75(6) . 1_655
Se12 Cs5 Bi2 39.65(4) 4_655 1_655
Se12 Cs5 Bi2 91.91(6) . 1_655
Cs3 Cs5 Bi2 122.61(3) 2_664 1_655
Se9 Cs6 Se9 60.08(8) 3 2
Se9 Cs6 Se5 74.26(6) 3 .
Se9 Cs6 Se5 104.47(7) 2 .
Se9 Cs6 Se5 104.47(7) 3 4
Se9 Cs6 Se5 74.26(6) 2 4
Se5 Cs6 Se5 62.75(7) . 4
Se9 Cs6 Se6 56.98(6) 3 .
Se9 Cs6 Se6 117.05(8) 2 .
Se5 Cs6 Se6 57.49(6) . .
Se5 Cs6 Se6 120.15(8) 4 .
Se9 Cs6 Se6 117.05(8) 3 1_455
Se9 Cs6 Se6 56.98(6) 2 1_455
Se5 Cs6 Se6 120.15(8) . 1_455
Se5 Cs6 Se6 57.49(6) 4 1_455
Se6 Cs6 Se6 173.60(11) . 1_455
Se9 Cs6 Se8 167.69(8) 3 4
Se9 Cs6 Se8 118.00(5) 2 4
Se5 Cs6 Se8 95.35(7) . 4
Se5 Cs6 Se8 64.23(6) 4 4
Se6 Cs6 Se8 123.05(7) . 4
Se6 Cs6 Se8 62.17(6) 1_455 4
Se9 Cs6 Se8 118.00(5) 3 .
Se9 Cs6 Se8 167.70(8) 2 .
Se5 Cs6 Se8 64.24(6) . .
Se5 Cs6 Se8 95.35(7) 4 .
Se6 Cs6 Se8 62.17(6) . .
Se6 Cs6 Se8 123.05(7) 1_455 .
Se8 Cs6 Se8 60.92(7) 4 .
Se9 Cs6 Se4 118.87(7) 3 4
Se9 Cs6 Se4 89.02(6) 2 4
Se5 Cs6 Se4 165.10(8) . 4
Se5 Cs6 Se4 116.51(5) 4 4
Se6 Cs6 Se4 121.94(7) . 4
Se6 Cs6 Se4 62.08(6) 1_455 4
Se8 Cs6 Se4 72.35(6) 4 4
Se8 Cs6 Se4 101.72(7) . 4
Se9 Cs6 Se4 89.02(6) 3 .
Se9 Cs6 Se4 118.87(7) 2 .
Se5 Cs6 Se4 116.51(5) . .
Se5 Cs6 Se4 165.10(8) 4 .
Se6 Cs6 Se4 62.08(6) . .
Se6 Cs6 Se4 121.94(7) 1_455 .
Se8 Cs6 Se4 101.72(7) 4 .
Se8 Cs6 Se4 72.35(6) . .
Se4 Cs6 Se4 59.92(7) 4 .
Se9 Cs6 Bi1 147.36(6) 3 1_455
Se9 Cs6 Bi1 91.17(4) 2 1_455
Se5 Cs6 Bi1 132.26(6) . 1_455
Se5 Cs6 Bi1 79.51(4) 4 1_455
Se6 Cs6 Bi1 148.31(7) . 1_455
Se6 Cs6 Bi1 38.02(5) 1_455 1_455
Se8 Cs6 Bi1 39.40(4) 4 1_455
Se8 Cs6 Bi1 93.39(5) . 1_455
Se4 Cs6 Bi1 39.24(4) 4 1_455
Se4 Cs6 Bi1 92.59(5) . 1_455
Se9 Cs6 Bi1 91.17(4) 3 .
Se9 Cs6 Bi1 147.36(6) 2 .
Se5 Cs6 Bi1 79.51(4) . .
Se5 Cs6 Bi1 132.26(6) 4 .
Se6 Cs6 Bi1 38.02(5) . .
Se6 Cs6 Bi1 148.31(7) 1_455 .
Se8 Cs6 Bi1 93.39(5) 4 .
Se8 Cs6 Bi1 39.40(4) . .
Se4 Cs6 Bi1 92.59(5) 4 .
Se4 Cs6 Bi1 39.24(4) . .
Bi1 Cs6 Bi1 110.29(5) 1_455 .
Se10 Cs7 Se1 60.68(7) . 3_554
Se10 Cs7 Se1 60.68(7) . 2_554
Se1 Cs7 Se1 61.78(9) 3_554 2_554
Se10 Cs7 Se2 86.09(6) . .
Se1 Cs7 Se2 57.04(7) 3_554 .
Se1 Cs7 Se2 118.71(9) 2_554 .
Se10 Cs7 Se2 86.09(6) . 1_455
Se1 Cs7 Se2 118.71(9) 3_554 1_455
Se1 Cs7 Se2 57.04(7) 2_554 1_455
Se2 Cs7 Se2 172.17(11) . 1_455
Se10 Cs7 Se14 66.84(7) . 4
Se1 Cs7 Se14 127.26(8) 3_554 4
Se1 Cs7 Se14 97.20(6) 2_554 4
Se2 Cs7 Se14 115.97(8) . 4
Se2 Cs7 Se14 60.32(7) 1_455 4
Se10 Cs7 Se14 66.84(7) . .
Se1 Cs7 Se14 97.20(6) 3_554 .
Se1 Cs7 Se14 127.26(8) 2_554 .
Se2 Cs7 Se14 60.32(7) . .
Se2 Cs7 Se14 115.97(8) 1_455 .
Se14 Cs7 Se14 55.76(8) 4 .
Se10 Cs7 Se4 123.76(8) . .
Se1 Cs7 Se4 63.09(6) 3_554 .
Se1 Cs7 Se4 93.74(8) 2_554 .
Se2 Cs7 Se4 62.37(6) . .
Se2 Cs7 Se4 122.87(8) 1_455 .
Se14 Cs7 Se4 167.84(9) 4 .
Se14 Cs7 Se4 120.38(5) . .
Se10 Cs7 Se4 123.76(8) . 4
Se1 Cs7 Se4 93.74(8) 3_554 4
Se1 Cs7 Se4 63.09(6) 2_554 4
Se2 Cs7 Se4 122.87(8) . 4
Se2 Cs7 Se4 62.37(6) 1_455 4
Se14 Cs7 Se4 120.38(5) 4 4
Se14 Cs7 Se4 167.84(9) . 4
Se4 Cs7 Se4 60.59(8) . 4
Se10 Cs7 P7 80.51(15) . .
Se1 Cs7 P7 127.91(12) 3_554 .
Se1 Cs7 P7 127.91(12) 2_554 .
Se2 Cs7 P7 89.23(7) . .
Se2 Cs7 P7 89.23(7) 1_455 .
Se14 Cs7 P7 32.26(8) 4 .
Se14 Cs7 P7 32.26(8) . .
Se4 Cs7 P7 138.02(11) . .
Se4 Cs7 P7 138.02(11) 4 .
Se10 Cs7 Bi1 125.61(3) . .
Se1 Cs7 Bi1 79.58(4) 3_554 .
Se1 Cs7 Bi1 130.59(7) 2_554 .
Se2 Cs7 Bi1 39.82(5) . .
Se2 Cs7 Bi1 147.99(7) 1_455 .
Se14 Cs7 Bi1 131.61(7) 4 .
Se14 Cs7 Bi1 84.64(5) . .
Se4 Cs7 Bi1 38.82(4) . .
Se4 Cs7 Bi1 92.18(5) 4 .
P7 Cs7 Bi1 99.57(9) . .
Se10 Cs7 Bi1 125.61(3) . 1_455
Se1 Cs7 Bi1 130.59(7) 3_554 1_455
Se1 Cs7 Bi1 79.58(4) 2_554 1_455
Se2 Cs7 Bi1 147.99(7) . 1_455
Se2 Cs7 Bi1 39.81(5) 1_455 1_455
Se14 Cs7 Bi1 84.64(5) 4 1_455
Se14 Cs7 Bi1 131.61(7) . 1_455
Se4 Cs7 Bi1 92.18(5) . 1_455
Se4 Cs7 Bi1 38.82(4) 4 1_455
P7 Cs7 Bi1 99.57(9) . 1_455
Bi1 Cs7 Bi1 108.17(5) . 1_455
Cs8B Cs8A Cs8B 162(5) . 4
Cs8B Cs8A Se1 116(2) . .
Cs8B Cs8A Se1 54(2) 4 .
Cs8B Cs8A Se1 54(2) . 4
Cs8B Cs8A Se1 116(2) 4 4
Se1 Cs8A Se1 62.02(9) . 4
Cs8B Cs8A Se9 69(2) . 2
Cs8B Cs8A Se9 127(2) 4 2
Se1 Cs8A Se9 110.55(9) . 2
Se1 Cs8A Se9 81.39(7) 4 2
Cs8B Cs8A Se9 127(2) . 3
Cs8B Cs8A Se9 69(2) 4 3
Se1 Cs8A Se9 81.39(7) . 3
Se1 Cs8A Se9 110.55(9) 4 3
Se9 Cs8A Se9 58.15(8) 2 3
Cs8B Cs8A P8 83(2) . 2_565
Cs8B Cs8A P8 83(2) 4 2_565
Se1 Cs8A P8 94.90(13) . 2_565
Se1 Cs8A P8 94.90(13) 4 2_565
Se9 Cs8A P8 148.21(7) 2 2_565
Se9 Cs8A P8 148.22(7) 3 2_565
Cs8B Cs8A Cs3 170(2) . .
Cs8B Cs8A Cs3 8(2) 4 .
Se1 Cs8A Cs3 57.98(6) . .
Se1 Cs8A Cs3 120.00(9) 4 .
Se9 Cs8A Cs3 119.89(9) 2 .
Se9 Cs8A Cs3 61.75(6) 3 .
P8 Cs8A Cs3 89.42(6) 2_565 .
Cs8B Cs8A Cs3 8(2) . 1_455
Cs8B Cs8A Cs3 170(2) 4 1_455
Se1 Cs8A Cs3 119.99(9) . 1_455
Se1 Cs8A Cs3 57.98(6) 4 1_455
Se9 Cs8A Cs3 61.75(6) 2 1_455
Se9 Cs8A Cs3 119.89(9) 3 1_455
P8 Cs8A Cs3 89.42(6) 2_565 1_455
Cs3 Cs8A Cs3 177.55(12) . 1_455
Cs8B Cs8A Se15 111(2) . 3_565
Cs8B Cs8A Se15 52(2) 4 3_565
Se1 Cs8A Se15 66.89(7) . 3_565
Se1 Cs8A Se15 96.61(8) 4 3_565
Se9 Cs8A Se15 177.36(9) 2 3_565
Se9 Cs8A Se15 121.34(5) 3 3_565
P8 Cs8A Se15 33.42(7) 2_565 3_565
Cs3 Cs8A Se15 59.63(6) . 3_565
Cs3 Cs8A Se15 118.65(9) 1_455 3_565
Cs8B Cs8A Se15 52(2) . 2_565
Cs8B Cs8A Se15 111(2) 4 2_565
Se1 Cs8A Se15 96.61(8) . 2_565
Se1 Cs8A Se15 66.89(7) 4 2_565
Se9 Cs8A Se15 121.34(5) 2 2_565
Se9 Cs8A Se15 177.36(9) 3 2_565
P8 Cs8A Se15 33.42(7) 2_565 2_565
Cs3 Cs8A Se15 118.65(9) . 2_565
Cs3 Cs8A Se15 59.63(6) 1_455 2_565
Se15 Cs8A Se15 59.03(9) 3_565 2_565
Cs8B Cs8A Se5 125(2) . .
Cs8B Cs8A Se5 64(2) 4 .
Se1 Cs8A Se5 117.78(5) . .
Se1 Cs8A Se5 176.47(10) 4 .
Se9 Cs8A Se5 101.77(8) 2 .
Se9 Cs8A Se5 72.66(6) 3 .
P8 Cs8A Se5 81.58(13) 2_565 .
Cs3 Cs8A Se5 59.87(6) . .
Cs3 Cs8A Se5 122.05(8) 1_455 .
Se15 Cs8A Se5 80.28(7) 3_565 .
Se15 Cs8A Se5 109.87(9) 2_565 .
Cs8A Cs8B Cs8B 9(2) . 4
Cs8A Cs8B Cs3 170(3) . 1_455
Cs8B Cs8B Cs3 178.8(7) 4 1_455
Cs8A Cs8B Se1 114(3) . 4
Cs8B Cs8B Se1 109.5(7) 4 4
Cs3 Cs8B Se1 70.6(9) 1_455 4
Cs8A Cs8B Se15 117(3) . 2_565
Cs8B Cs8B Se15 108.3(7) 4 2_565
Cs3 Cs8B Se15 72.9(9) 1_455 2_565
Se1 Cs8B Se15 76.9(8) 4 2_565
Cs8A Cs8B Se5 104(3) . 4
Cs8B Cs8B Se5 109.1(7) 4 4
Cs3 Cs8B Se5 70.9(8) 1_455 4
Se1 Cs8B Se5 141.4(14) 4 4
Se15 Cs8B Se5 90.9(9) 2_565 4
Cs8A Cs8B Se9 98(3) . 2
Cs8B Cs8B Se9 106.5(7) 4 2
Cs3 Cs8B Se9 72.3(8) 1_455 2
Se1 Cs8B Se9 90.6(8) 4 2
Se15 Cs8B Se9 145.2(14) 2_565 2
Se5 Cs8B Se9 78.7(7) 4 2
Cs8A Cs8B P8 84(2) . 2_565
Cs8B Cs8B P8 77.5(7) 4 2_565
Cs3 Cs8B P8 103.7(11) 1_455 2_565
Se1 Cs8B P8 102.5(9) 4 2_565
Se15 Cs8B P8 35.0(3) 2_565 2_565
Se5 Cs8B P8 85.6(7) 4 2_565
Se9 Cs8B P8 164.2(10) 2 2_565
Cs8A Cs8B Se16 80(2) . 2_565
Cs8B Cs8B Se16 78.1(7) 4 2_565
Cs3 Cs8B Se16 102.7(10) 1_455 2_565
Se1 Cs8B Se16 134.5(10) 4 2_565
Se15 Cs8B Se16 58.7(5) 2_565 2_565
Se5 Cs8B Se16 55.3(5) 4 2_565
Se9 Cs8B Se16 131.4(9) 2 2_565
P8 Cs8B Se16 33.4(3) 2_565 2_565
Cs8A Cs8B P5 72(2) . 2
Cs8B Cs8B P5 78.5(6) 4 2
Cs3 Cs8B P5 100.3(9) 1_455 2
Se1 Cs8B P5 85.1(7) 4 2
Se15 Cs8B P5 162.0(11) 2_565 2
Se5 Cs8B P5 102.8(8) 4 2
Se9 Cs8B P5 32.3(3) 2 2
P8 Cs8B P5 156.0(13) 2_565 2
Se16 Cs8B P5 139.1(11) 2_565 2
Cs8A Cs8B Se1 54(2) . .
Cs8B Cs8B Se1 48.8(6) 4 .
Cs3 Cs8B Se1 131.3(11) 1_455 .
Se1 Cs8B Se1 60.7(5) 4 .
Se15 Cs8B Se1 96.3(7) 2_565 .
Se5 Cs8B Se1 157.8(13) 4 .
Se9 Cs8B Se1 105.8(8) 2 .
P8 Cs8B Se1 88.4(7) 2_565 .
Se16 Cs8B Se1 111.6(9) 2_565 .
P5 Cs8B Se1 75.3(6) 2 .
Cs8A Cs8B Se15 58(2) . 3_565
Cs8B Cs8B Se15 49.8(6) 4 3_565
Cs3 Cs8B Se15 131.4(11) 1_455 3_565
Se1 Cs8B Se15 96.8(7) 4 3_565
Se15 Cs8B Se15 58.5(5) 2_565 3_565
Se5 Cs8B Se15 107.8(8) 4 3_565
Se9 Cs8B Se15 156.3(13) 2 3_565
P8 Cs8B Se15 31.4(3) 2_565 3_565
Se16 Cs8B Se15 52.9(4) 2_565 3_565
P5 Cs8B Se15 125.9(11) 2 3_565
Se1 Cs8B Se15 59.8(5) . 3_565
Se5 Cs9 Se5 62.44(8) 3_564 2_564
Se5 Cs9 Se8 65.18(6) 3_564 3_564
Se5 Cs9 Se8 96.96(7) 2_564 3_564
Se5 Cs9 Se8 96.96(7) 3_564 2_564
Se5 Cs9 Se8 65.18(6) 2_564 2_564
Se8 Cs9 Se8 62.91(7) 3_564 2_564
Se5 Cs9 Se7 66.61(7) 3_564 .
Se5 Cs9 Se7 128.91(9) 2_564 .
Se8 Cs9 Se7 57.08(7) 3_564 .
Se8 Cs9 Se7 119.25(8) 2_564 .
Se5 Cs9 Se7 128.91(9) 3_564 1_455
Se5 Cs9 Se7 66.61(7) 2_564 1_455
Se8 Cs9 Se7 119.25(8) 3_564 1_455
Se8 Cs9 Se7 57.08(7) 2_564 1_455
Se7 Cs9 Se7 162.94(15) . 1_455
Se5 Cs9 Se12 88.20(6) 3_564 .
Se5 Cs9 Se12 116.91(8) 2_564 .
Se8 Cs9 Se12 120.57(5) 3_564 .
Se8 Cs9 Se12 174.76(7) 2_564 .
Se7 Cs9 Se12 63.70(7) . .
Se7 Cs9 Se12 118.71(8) 1_455 .
Se5 Cs9 Se12 116.90(8) 3_564 4
Se5 Cs9 Se12 88.20(6) 2_564 4
Se8 Cs9 Se12 174.76(7) 3_564 4
Se8 Cs9 Se12 120.57(5) 2_564 4
Se7 Cs9 Se12 118.71(8) . 4
Se7 Cs9 Se12 63.70(7) 1_455 4
Se12 Cs9 Se12 55.66(7) . 4
Se5 Cs9 P6 118.03(11) 3_564 .
Se5 Cs9 P6 118.03(11) 2_564 .
Se8 Cs9 P6 142.52(8) 3_564 .
Se8 Cs9 P6 142.52(8) 2_564 .
Se7 Cs9 P6 88.67(6) . .
Se7 Cs9 P6 88.67(6) 1_455 .
Se12 Cs9 P6 32.34(7) . .
Se12 Cs9 P6 32.34(7) 4 .
Se5 Cs9 Se16 52.02(6) 3_564 .
Se5 Cs9 Se16 52.02(6) 2_564 .
Se8 Cs9 Se16 117.01(7) 3_564 .
Se8 Cs9 Se16 117.01(7) 2_564 .
Se7 Cs9 Se16 98.03(7) . .
Se7 Cs9 Se16 98.03(7) 1_455 .
Se12 Cs9 Se16 65.63(6) . .
Se12 Cs9 Se16 65.63(6) 4 .
P6 Cs9 Se16 79.36(12) . .
Se5 Cs9 Se11 139.27(6) 3_564 .
Se5 Cs9 Se11 139.27(6) 2_564 .
Se8 Cs9 Se11 122.80(7) 3_564 .
Se8 Cs9 Se11 122.80(7) 2_564 .
Se7 Cs9 Se11 84.75(6) . .
Se7 Cs9 Se11 84.75(6) 1_455 .
Se12 Cs9 Se11 52.28(6) . .
Se12 Cs9 Se11 52.28(6) 4 .
P6 Cs9 Se11 29.06(12) . .
Se16 Cs9 Se11 108.41(8) . .
Se5 Cs9 Cs6 47.30(5) 3_564 2_564
Se5 Cs9 Cs6 47.30(5) 2_564 2_564
Se8 Cs9 Cs6 49.68(5) 3_564 2_564
Se8 Cs9 Cs6 49.67(5) 2_564 2_564
Se7 Cs9 Cs6 94.01(6) . 2_564
Se7 Cs9 Cs6 94.01(6) 1_455 2_564
Se12 Cs9 Cs6 135.46(6) . 2_564
Se12 Cs9 Cs6 135.45(6) 4 2_564
P6 Cs9 Cs6 160.87(13) . 2_564
Se16 Cs9 Cs6 81.51(6) . 2_564
Se11 Cs9 Cs6 170.08(8) . 2_564
Se15 Cs10 Se15 60.54(9) . 4
Se15 Cs10 Se3 66.67(7) . .
Se15 Cs10 Se3 127.00(9) 4 .
Se15 Cs10 Se3 127.00(9) . 1_455
Se15 Cs10 Se3 66.67(7) 4 1_455
Se3 Cs10 Se3 163.58(13) . 1_455
Se15 Cs10 Se1 66.16(6) . 3_564
Se15 Cs10 Se1 95.42(8) 4 3_564
Se3 Cs10 Se1 66.35(7) . 3_564
Se3 Cs10 Se1 125.31(9) 1_455 3_564
Se15 Cs10 Se1 95.42(8) . 2_564
Se15 Cs10 Se1 66.16(6) 4 2_564
Se3 Cs10 Se1 125.31(9) . 2_564
Se3 Cs10 Se1 66.35(7) 1_455 2_564
Se1 Cs10 Se1 59.29(9) 3_564 2_564
Se15 Cs10 Se4 113.39(6) . 1_565
Se15 Cs10 Se4 154.87(10) 4 1_565
Se3 Cs10 Se4 56.25(7) . 1_565
Se3 Cs10 Se4 116.26(8) 1_455 1_565
Se1 Cs10 Se4 61.82(6) 3_564 1_565
Se1 Cs10 Se4 91.52(8) 2_564 1_565
Se15 Cs10 Se4 154.87(10) . 4_565
Se15 Cs10 Se4 113.39(6) 4 4_565
Se3 Cs10 Se4 116.26(8) . 4_565
Se3 Cs10 Se4 56.25(7) 1_455 4_565
Se1 Cs10 Se4 91.52(8) 3_564 4_565
Se1 Cs10 Se4 61.82(6) 2_564 4_565
Se4 Cs10 Se4 60.55(8) 1_565 4_565
Se15 Cs10 Se11 140.10(8) . 2_565
Se15 Cs10 Se11 140.10(8) 4 2_565
Se3 Cs10 Se11 81.84(7) . 2_565
Se3 Cs10 Se11 81.84(7) 1_455 2_565
Se1 Cs10 Se11 123.36(8) 3_564 2_565
Se1 Cs10 Se11 123.36(8) 2_564 2_565
Se4 Cs10 Se11 61.55(7) 1_565 2_565
Se4 Cs10 Se11 61.55(7) 4_565 2_565
Se15 Cs10 P8 31.07(5) . .
Se15 Cs10 P8 31.07(5) 4 .
Se3 Cs10 P8 96.20(7) . .
Se3 Cs10 P8 96.20(7) 1_455 .
Se1 Cs10 P8 86.06(12) 3_564 .
Se1 Cs10 P8 86.06(12) 2_564 .
Se4 Cs10 P8 143.30(9) 1_565 .
Se4 Cs10 P8 143.30(9) 4_565 .
Se11 Cs10 P8 145.29(16) 2_565 .
Se15 Cs10 Se13 62.37(7) . .
Se15 Cs10 Se13 62.37(7) 4 .
Se3 Cs10 Se13 89.85(7) . .
Se3 Cs10 Se13 89.85(7) 1_455 .
Se1 Cs10 Se13 128.40(7) 3_564 .
Se1 Cs10 Se13 128.40(7) 2_564 .
Se4 Cs10 Se13 139.47(7) 1_565 .
Se4 Cs10 Se13 139.47(7) 4_565 .
Se11 Cs10 Se13 95.14(10) 2_565 .
P8 Cs10 Se13 50.15(14) . .
Se15 Cs10 Cs8B 54.7(5) . 3_564
Se15 Cs10 Cs8B 42.1(4) 4 3_564
Se3 Cs10 Cs8B 107.6(5) . 3_564
Se3 Cs10 Cs8B 88.8(5) 1_455 3_564
Se1 Cs10 Cs8B 54.1(5) 3_564 3_564
Se1 Cs10 Cs8B 41.5(4) 2_564 3_564
Se4 Cs10 Cs8B 113.3(4) 1_565 3_564
Se4 Cs10 Cs8B 103.4(4) 4_565 3_564
Se11 Cs10 Cs8B 164.9(4) 2_565 3_564
P8 Cs10 Cs8B 47.3(4) . 3_564
Se13 Cs10 Cs8B 96.7(4) . 3_564
P1 Se1 Cs8B 139.9(8) 2_655 4
P1 Se1 Cs3 89.7(2) 2_655 .
Cs8B Se1 Cs3 50.2(7) 4 .
P1 Se1 Cs8A 151.4(2) 2_655 .
Cs8B Se1 Cs8A 11.6(7) 4 .
Cs3 Se1 Cs8A 61.74(5) . .
P1 Se1 Cs7 93.6(2) 2_655 2
Cs8B Se1 Cs7 123.7(7) 4 2
Cs3 Se1 Cs7 156.53(10) . 2
Cs8A Se1 Cs7 112.56(7) . 2
P1 Se1 Cs10 109.9(3) 2_655 2_565
Cs8B Se1 Cs10 87.4(6) 4 2_565
Cs3 Se1 Cs10 112.18(8) . 2_565
Cs8A Se1 Cs10 83.12(7) . 2_565
Cs7 Se1 Cs10 88.50(7) 2 2_565
P1 Se1 Cs1 71.0(3) 2_655 2_655
Cs8B Se1 Cs1 93.3(6) 4 2_655
Cs3 Se1 Cs1 69.97(6) . 2_655
Cs8A Se1 Cs1 97.12(7) . 2_655
Cs7 Se1 Cs1 89.17(7) 2 2_655
Cs10 Se1 Cs1 177.56(9) 2_565 2_655
P1 Se1 Cs8B 161.5(6) 2_655 .
Cs8B Se1 Cs8B 21.7(12) 4 .
Cs3 Se1 Cs8B 72.0(6) . .
Cs8A Se1 Cs8B 10.3(6) . .
Cs7 Se1 Cs8B 103.9(5) 2 .
Cs10 Se1 Cs8B 76.7(5) 2_565 .
Cs1 Se1 Cs8B 103.2(5) 2_655 .
P1 Se2 Bi1 98.8(3) . .
P1 Se2 Cs1 78.3(3) . .
Bi1 Se2 Cs1 177.07(13) . .
P1 Se2 Cs7 90.91(7) . 1_655
Bi1 Se2 Cs7 86.10(6) . 1_655
Cs1 Se2 Cs7 93.92(6) . 1_655
P1 Se2 Cs7 90.91(7) . .
Bi1 Se2 Cs7 86.10(6) . .
Cs1 Se2 Cs7 93.92(6) . .
Cs7 Se2 Cs7 172.17(11) 1_655 .
P2 Se3 Cs10 90.12(8) 2_664 1_655
P2 Se3 Cs10 90.12(8) 2_664 .
Cs10 Se3 Cs10 163.58(13) 1_655 .
P2 Se3 Cs4 172.8(3) 2_664 .
Cs10 Se3 Cs4 88.85(7) 1_655 .
Cs10 Se3 Cs4 88.85(7) . .
P2 Se3 Cs2 75.5(2) 2_664 2_665
Cs10 Se3 Cs2 97.98(6) 1_655 2_665
Cs10 Se3 Cs2 97.98(6) . 2_665
Cs4 Se3 Cs2 111.70(11) . 2_665
P2 Se4 Bi1 80.5(2) 2_654 .
P2 Se4 Cs7 110.9(2) 2_654 .
Bi1 Se4 Cs7 85.02(7) . .
P2 Se4 Cs2 73.5(2) 2_654 2_655
Bi1 Se4 Cs2 94.12(7) . 2_655
Cs7 Se4 Cs2 175.17(8) . 2_655
P2 Se4 Cs10 86.61(19) 2_654 1_545
Bi1 Se4 Cs10 160.68(9) . 1_545
Cs7 Se4 Cs10 86.22(7) . 1_545
Cs2 Se4 Cs10 95.98(7) 2_655 1_545
P2 Se4 Cs6 154.75(19) 2_654 .
Bi1 Se4 Cs6 82.89(6) . .
Cs7 Se4 Cs6 86.29(6) . .
Cs2 Se4 Cs6 88.88(6) 2_655 .
Cs10 Se4 Cs6 113.69(6) 1_545 .
P3 Se5 Cs8B 121.9(7) . 4
P3 Se5 Cs5 91.01(19) . 2_665
Cs8B Se5 Cs5 93.1(6) 4 2_665
P3 Se5 Cs6 91.20(19) . .
Cs8B Se5 Cs6 83.2(6) 4 .
Cs5 Se5 Cs6 176.34(9) 2_665 .
P3 Se5 Cs3 79.9(2) . .
Cs8B Se5 Cs3 47.8(7) 4 .
Cs5 Se5 Cs3 71.00(7) 2_665 .
Cs6 Se5 Cs3 106.53(8) . .
P3 Se5 Cs9 110.1(2) . 2_565
Cs8B Se5 Cs9 126.7(7) 4 2_565
Cs5 Se5 Cs9 96.86(7) 2_665 2_565
Cs6 Se5 Cs9 85.12(6) . 2_565
Cs3 Se5 Cs9 164.85(9) . 2_565
P3 Se5 Cs8A 130.6(2) . .
Cs8B Se5 Cs8A 12.2(7) 4 .
Cs5 Se5 Cs8A 100.62(8) 2_665 .
Cs6 Se5 Cs8A 75.73(7) . .
Cs3 Se5 Cs8A 59.84(4) . .
Cs9 Se5 Cs8A 115.78(7) 2_565 .
P3 Se5 Cs8B 138.2(6) . .
Cs8B Se5 Cs8B 20.8(11) 4 .
Cs5 Se5 Cs8B 103.4(4) 2_665 .
Cs6 Se5 Cs8B 73.0(4) . .
Cs3 Se5 Cs8B 68.6(5) . .
Cs9 Se5 Cs8B 106.9(5) 2_565 .
Cs8A Se5 Cs8B 8.9(5) . .
P3 Se6 Bi1 100.7(2) . .
P3 Se6 Cs6 90.16(6) . 1_655
Bi1 Se6 Cs6 86.83(6) . 1_655
P3 Se6 Cs6 90.16(6) . .
Bi1 Se6 Cs6 86.83(6) . .
Cs6 Se6 Cs6 173.60(11) 1_655 .
P3 Se6 Cs2 164.1(2) . 2_655
Bi1 Se6 Cs2 95.27(9) . 2_655
Cs6 Se6 Cs2 90.72(6) 1_655 2_655
Cs6 Se6 Cs2 90.72(6) . 2_655
P4 Se7 Cs9 87.78(7) 2_664 1_655
P4 Se7 Cs9 87.77(7) 2_664 .
Cs9 Se7 Cs9 162.94(15) 1_655 .
P4 Se7 Cs4 72.5(2) 2_664 2_664
Cs9 Se7 Cs4 97.17(7) 1_655 2_664
Cs9 Se7 Cs4 97.17(7) . 2_664
P4 Se8 Bi1 79.48(19) . .
P4 Se8 Cs9 87.17(18) . 2_565
Bi1 Se8 Cs9 155.78(8) . 2_565
P4 Se8 Cs6 109.0(2) . .
Bi1 Se8 Cs6 82.84(6) . .
Cs9 Se8 Cs6 82.55(6) 2_565 .
P4 Se8 Cs4 78.1(2) . .
Bi1 Se8 Cs4 95.12(6) . .
Cs9 Se8 Cs4 101.84(7) 2_565 .
Cs6 Se8 Cs4 171.96(8) . .
P5 Se9 Cs8B 87.7(7) . 2_554
P5 Se9 Cs6 90.79(19) . 2_554
Cs8B Se9 Cs6 84.9(6) 2_554 2_554
P5 Se9 Cs1 91.42(19) . .
Cs8B Se9 Cs1 95.5(6) 2_554 .
Cs6 Se9 Cs1 177.77(7) 2_554 .
P5 Se9 Cs8A 77.5(2) . 2_554
Cs8B Se9 Cs8A 12.6(7) 2_554 2_554
Cs6 Se9 Cs8A 78.00(6) 2_554 2_554
Cs1 Se9 Cs8A 102.79(7) . 2_554
P5 Se9 Cs2 109.3(2) . .
Cs8B Se9 Cs2 162.9(7) 2_554 .
Cs6 Se9 Cs2 94.87(7) 2_554 .
Cs1 Se9 Cs2 84.11(6) . .
Cs8A Se9 Cs2 170.42(8) 2_554 .
P5 Se9 Cs3 126.9(2) . 2_654
Cs8B Se9 Cs3 47.0(7) 2_554 2_654
Cs6 Se9 Cs3 107.61(7) 2_554 2_654
Cs1 Se9 Cs3 71.23(6) . 2_654
Cs8A Se9 Cs3 59.60(4) 2_554 2_654
Cs2 Se9 Cs3 117.73(6) . 2_654
P5 Se9 Cs8B 69.6(5) . 3_554
Cs8B Se9 Cs8B 21.3(11) 2_554 3_554
Cs6 Se9 Cs8B 74.7(4) 2_554 3_554
Cs1 Se9 Cs8B 106.4(4) . 3_554
Cs8A Se9 Cs8B 8.8(5) 2_554 3_554
Cs2 Se9 Cs8B 169.4(4) . 3_554
Cs3 Se9 Cs8B 68.4(5) 2_654 3_554
P5 Se10 Bi2 98.3(2) . .
P5 Se10 Cs7 170.1(3) . .
Bi2 Se10 Cs7 91.60(9) . .
P5 Se10 Cs1 88.09(6) . .
Bi2 Se10 Cs1 86.32(6) . .
Cs7 Se10 Cs1 92.57(6) . .
P5 Se10 Cs1 88.09(6) . 1_455
Bi2 Se10 Cs1 86.32(6) . 1_455
Cs7 Se10 Cs1 92.57(6) . 1_455
Cs1 Se10 Cs1 171.14(11) . 1_455
P5 Se10 Cs8A 67.0(2) . 2_554
Bi2 Se10 Cs8A 165.34(11) . 2_554
Cs7 Se10 Cs8A 103.06(9) . 2_554
Cs1 Se10 Cs8A 92.93(6) . 2_554
Cs1 Se10 Cs8A 92.93(6) 1_455 2_554
P5 Se10 Cs8B 69.1(5) . 3_554
Bi2 Se10 Cs8B 163.1(5) . 3_554
Cs7 Se10 Cs8B 101.1(4) . 3_554
Cs1 Se10 Cs8B 103.9(6) . 3_554
Cs1 Se10 Cs8B 82.2(6) 1_455 3_554
Cs8A Se10 Cs8B 11.0(6) 2_554 3_554
P5 Se10 Cs8B 69.1(5) . 2_554
Bi2 Se10 Cs8B 163.1(5) . 2_554
Cs7 Se10 Cs8B 101.1(4) . 2_554
Cs1 Se10 Cs8B 82.2(6) . 2_554
Cs1 Se10 Cs8B 103.9(6) 1_455 2_554
Cs8A Se10 Cs8B 11.0(6) 2_554 2_554
Cs8B Se10 Cs8B 21.8(12) 3_554 2_554
P6 Se11 Cs2 88.25(7) . .
P6 Se11 Cs2 88.25(7) . 1_455
Cs2 Se11 Cs2 164.40(14) . 1_455
P6 Se11 Cs10 161.4(3) . 2_564
Cs2 Se11 Cs10 94.09(6) . 2_564
Cs2 Se11 Cs10 94.09(6) 1_455 2_564
P6 Se11 Cs9 69.0(3) . .
Cs2 Se11 Cs9 96.46(7) . .
Cs2 Se11 Cs9 96.46(7) 1_455 .
Cs10 Se11 Cs9 92.37(10) 2_564 .
P6 Se12 Bi2 79.70(19) . .
P6 Se12 Cs2 87.35(19) . .
Bi2 Se12 Cs2 156.80(9) . .
P6 Se12 Cs9 79.6(2) . .
Bi2 Se12 Cs9 91.15(7) . .
Cs2 Se12 Cs9 105.46(8) . .
P6 Se12 Cs1 108.8(2) . .
Bi2 Se12 Cs1 84.27(7) . .
Cs2 Se12 Cs1 81.80(6) . .
Cs9 Se12 Cs1 169.38(9) . .
P6 Se12 Cs5 154.7(2) . .
Bi2 Se12 Cs5 78.16(7) . .
Cs2 Se12 Cs5 117.54(6) . .
Cs9 Se12 Cs5 88.67(6) . .
Cs1 Se12 Cs5 81.02(6) . .
P7 Se13 Cs4 90.34(8) . .
P7 Se13 Cs4 90.34(8) . 1_455
Cs4 Se13 Cs4 166.87(16) . 1_455
P7 Se13 Cs10 101.1(3) . .
Cs4 Se13 Cs10 83.50(8) . .
Cs4 Se13 Cs10 83.50(8) 1_455 .
P7 Se14 Bi2 79.7(2) . .
P7 Se14 Cs5 111.9(2) . .
Bi2 Se14 Cs5 83.01(8) . .
P7 Se14 Cs7 79.8(2) . .
Bi2 Se14 Cs7 88.48(7) . .
Cs5 Se14 Cs7 163.82(9) . .
P7 Se14 Cs4 86.8(2) . .
Bi2 Se14 Cs4 158.85(10) . .
Cs5 Se14 Cs4 87.07(7) . .
Cs7 Se14 Cs4 105.20(8) . .
P7 Se14 Cs1 153.9(2) . .
Bi2 Se14 Cs1 78.84(6) . .
Cs5 Se14 Cs1 80.01(6) . .
Cs7 Se14 Cs1 84.87(6) . .
Cs4 Se14 Cs1 117.77(7) . .
P8 Se15 Cs8B 83.0(7) . 2_564
P8 Se15 Cs10 87.4(2) . .
Cs8B Se15 Cs10 90.1(6) 2_564 .
P8 Se15 Cs3 124.9(3) . 2_664
Cs8B Se15 Cs3 48.9(7) 2_564 2_664
Cs10 Se15 Cs3 113.62(8) . 2_664
P8 Se15 Cs8A 72.9(2) . 2_564
Cs8B Se15 Cs8A 11.2(7) 2_564 2_564
Cs10 Se15 Cs8A 84.85(7) . 2_564
Cs3 Se15 Cs8A 60.13(5) 2_664 2_564
P8 Se15 Cs5 91.6(2) . .
Cs8B Se15 Cs5 92.6(6) 2_564 .
Cs10 Se15 Cs5 176.96(10) . .
Cs3 Se15 Cs5 69.28(7) 2_664 .
Cs8A Se15 Cs5 97.60(7) 2_564 .
P8 Se15 Cs4 110.5(3) . .
Cs8B Se15 Cs4 166.5(7) 2_564 .
Cs10 Se15 Cs4 90.18(7) . .
Cs3 Se15 Cs4 119.20(7) 2_664 .
Cs8A Se15 Cs4 173.90(9) 2_564 .
Cs5 Se15 Cs4 87.48(7) . .
P8 Se15 Cs8B 64.3(6) . 3_564
Cs8B Se15 Cs8B 21.9(12) 2_564 3_564
Cs10 Se15 Cs8B 78.7(5) . 3_564
Cs3 Se15 Cs8B 70.8(6) 2_664 3_564
Cs8A Se15 Cs8B 10.7(6) 2_564 3_564
Cs5 Se15 Cs8B 103.5(5) . 3_564
Cs4 Se15 Cs8B 167.7(6) . 3_564
P8 Se16 Bi2 98.0(3) . .
P8 Se16 Cs5 91.57(7) . .
Bi2 Se16 Cs5 83.86(6) . .
P8 Se16 Cs5 91.57(7) . 1_455
Bi2 Se16 Cs5 83.86(6) . 1_455
Cs5 Se16 Cs5 167.64(12) . 1_455
P8 Se16 Cs8A 69.9(3) . 2_564
Bi2 Se16 Cs8A 167.88(12) . 2_564
Cs5 Se16 Cs8A 96.16(6) . 2_564
Cs5 Se16 Cs8A 96.15(6) 1_455 2_564
P8 Se16 Cs8B 68.5(5) . 2_564
Bi2 Se16 Cs8B 161.7(6) . 2_564
Cs5 Se16 Cs8B 84.2(6) . 2_564
Cs5 Se16 Cs8B 108.0(6) 1_455 2_564
Cs8A Se16 Cs8B 12.0(6) 2_564 2_564
P8 Se16 Cs8B 68.5(5) . 3_564
Bi2 Se16 Cs8B 161.7(6) . 3_564
Cs5 Se16 Cs8B 108.0(6) . 3_564
Cs5 Se16 Cs8B 84.2(6) 1_455 3_564
Cs8A Se16 Cs8B 12.0(6) 2_564 3_564
Cs8B Se16 Cs8B 23.8(13) 2_564 3_564
P8 Se16 Cs9 175.8(3) . .
Bi2 Se16 Cs9 86.15(9) . .
Cs5 Se16 Cs9 88.86(6) . .
Cs5 Se16 Cs9 88.86(6) 1_455 .
Cs8A Se16 Cs9 105.97(9) 2_564 .
Cs8B Se16 Cs9 107.4(5) 2_564 .
Cs8B Se16 Cs9 107.4(5) 3_564 .
Se1 P1 Se1 119.2(4) 2_654 3_554
Se1 P1 Se2 109.5(3) 2_654 .
Se1 P1 Se2 109.5(3) 3_554 .
Se1 P1 P2 106.2(3) 2_654 2_654
Se1 P1 P2 106.2(3) 3_554 2_654
Se2 P1 P2 105.2(4) . 2_654
Se1 P1 Cs1 77.3(3) 2_654 .
Se1 P1 Cs1 77.3(3) 3_554 .
Se2 P1 Cs1 67.2(2) . .
P2 P1 Cs1 172.3(4) 2_654 .
Se1 P1 Cs3 59.6(2) 2_654 2_654
Se1 P1 Cs3 59.6(2) 3_554 2_654
Se2 P1 Cs3 132.7(4) . 2_654
P2 P1 Cs3 122.2(4) 2_654 2_654
Cs1 P1 Cs3 65.52(15) . 2_654
Se3 P2 Se4 113.3(3) 2_665 2_655
Se3 P2 Se4 113.3(3) 2_665 3
Se4 P2 Se4 108.9(4) 2_655 3
Se3 P2 P1 111.6(4) 2_665 2_655
Se4 P2 P1 104.5(3) 2_655 2_655
Se4 P2 P1 104.5(3) 3 2_655
Se3 P2 Cs2 72.7(3) 2_665 1_556
Se4 P2 Cs2 73.2(2) 2_655 1_556
Se4 P2 Cs2 73.2(2) 3 1_556
P1 P2 Cs2 175.7(4) 2_655 1_556
Se5 P3 Se5 114.3(4) . 4_655
Se5 P3 Se6 112.6(2) . .
Se5 P3 Se6 112.6(2) 4_655 .
Se5 P3 P4 106.0(3) . .
Se5 P3 P4 106.0(3) 4_655 .
Se6 P3 P4 104.5(4) . .
Se5 P3 Cs3 68.0(2) . .
Se5 P3 Cs3 68.0(2) 4_655 .
Se6 P3 Cs3 88.6(3) . .
P4 P3 Cs3 166.9(4) . .
Se7 P4 Se8 113.3(3) 2_665 4_655
Se7 P4 Se8 113.3(3) 2_665 .
Se8 P4 Se8 107.9(3) 4_655 .
Se7 P4 P3 110.4(4) 2_665 .
Se8 P4 P3 105.7(3) 4_655 .
Se8 P4 P3 105.7(3) . .
Se7 P4 Cs4 77.5(3) 2_665 .
Se8 P4 Cs4 70.1(2) 4_655 .
Se8 P4 Cs4 70.1(2) . .
P3 P4 Cs4 172.1(4) . .
Se9 P5 Se9 113.0(4) 4 .
Se9 P5 Se10 111.8(3) 4 .
Se9 P5 Se10 111.8(3) . .
Se9 P5 P6 106.1(3) 4 .
Se9 P5 P6 106.1(3) . .
Se10 P5 P6 107.5(4) . .
Se9 P5 Cs8A 69.5(2) 4 2_554
Se9 P5 Cs8A 69.5(2) . 2_554
Se10 P5 Cs8A 81.7(3) . 2_554
P6 P5 Cs8A 170.8(4) . 2_554
Se9 P5 Cs8B 60.0(6) 4 3_554
Se9 P5 Cs8B 80.3(6) . 3_554
Se10 P5 Cs8B 80.7(5) . 3_554
P6 P5 Cs8B 166.0(6) . 3_554
Cs8A P5 Cs8B 11.6(6) 2_554 3_554
Se9 P5 Cs8B 80.3(6) 4 2_554
Se9 P5 Cs8B 60.0(6) . 2_554
Se10 P5 Cs8B 80.7(5) . 2_554
P6 P5 Cs8B 166.0(6) . 2_554
Cs8A P5 Cs8B 11.6(6) 2_554 2_554
Cs8B P5 Cs8B 23.0(12) 3_554 2_554
Se11 P6 Se12 113.3(2) . .
Se11 P6 Se12 113.3(2) . 4
Se12 P6 Se12 108.1(4) . 4
Se11 P6 P5 111.3(4) . .
Se12 P6 P5 105.1(3) . .
Se12 P6 P5 105.1(3) 4 .
Se11 P6 Cs9 82.0(3) . .
Se12 P6 Cs9 68.0(2) . .
Se12 P6 Cs9 68.0(2) 4 .
P5 P6 Cs9 166.8(4) . .
Se13 P7 Se14 114.2(3) . .
Se13 P7 Se14 114.2(3) . 4
Se14 P7 Se14 108.5(5) . 4
Se13 P7 P8 109.6(5) . .
Se14 P7 P8 104.7(3) . .
Se14 P7 P8 104.7(3) 4 .
Se13 P7 Cs7 84.7(3) . .
Se14 P7 Cs7 67.9(2) . .
Se14 P7 Cs7 67.9(2) 4 .
P8 P7 Cs7 165.7(4) . .
Se15 P8 Se15 118.3(4) 4 .
Se15 P8 Se16 110.6(3) 4 .
Se15 P8 Se16 110.6(3) . .
Se15 P8 P7 105.2(3) 4 .
Se15 P8 P7 105.2(3) . .
Se16 P8 P7 106.1(4) . .
Se15 P8 Cs8B 84.4(7) 4 2_564
Se15 P8 Cs8B 62.0(7) . 2_564
Se16 P8 Cs8B 78.1(6) . 2_564
P7 P8 Cs8B 166.9(7) . 2_564
Se15 P8 Cs8B 62.0(7) 4 3_564
Se15 P8 Cs8B 84.4(7) . 3_564
Se16 P8 Cs8B 78.1(6) . 3_564
P7 P8 Cs8B 166.9(7) . 3_564
Cs8B P8 Cs8B 25.0(14) 2_564 3_564
Se15 P8 Cs8A 73.7(2) 4 2_564
Se15 P8 Cs8A 73.7(2) . 2_564
Se16 P8 Cs8A 76.4(3) . 2_564
P7 P8 Cs8A 177.5(4) . 2_564
Cs8B P8 Cs8A 12.6(7) 2_564 2_564
Cs8B P8 Cs8A 12.6(7) 3_564 2_564
Se15 P8 Cs10 61.5(2) 4 .
Se15 P8 Cs10 61.5(2) . .
Se16 P8 Cs10 154.8(4) . .
P7 P8 Cs10 99.1(4) . .
Cs8B P8 Cs10 77.4(5) 2_564 .
Cs8B P8 Cs10 77.4(5) 3_564 .
Cs8A P8 Cs10 78.38(17) 2_564 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 Se6 2.832(3) .
Bi1 Se4 2.927(3) 4_655
Bi1 Se4 2.927(3) .
Bi1 Se8 2.937(3) .
Bi1 Se8 2.937(3) 4_655
Bi1 Se2 2.986(3) .
Bi1 Cs6 4.5915(13) 1_655
Bi1 Cs6 4.5915(13) .
Bi1 Cs7 4.6521(14) 1_655
Bi1 Cs7 4.6522(14) .
Bi2 Se10 2.882(4) .
Bi2 Se14 2.914(3) 4
Bi2 Se14 2.914(3) .
Bi2 Se16 2.917(3) .
Bi2 Se12 2.952(3) 4
Bi2 Se12 2.953(3) .
Bi2 Cs5 4.5288(15) .
Bi2 Cs5 4.5288(15) 1_455
Bi2 Cs1 4.6036(14) 1_455
Bi2 Cs1 4.6036(14) .
Cs1 Se2 3.637(3) .
Cs1 Se9 3.662(3) 4_655
Cs1 Se9 3.662(3) .
Cs1 Se10 3.7791(3) 1_655
Cs1 Se10 3.7791(3) .
Cs1 Se12 3.839(3) 4_655
Cs1 Se12 3.839(3) .
Cs1 P1 3.865(10) .
Cs1 Se1 3.988(3) 2_654
Cs1 Se1 3.988(3) 3_554
Cs1 Se14 4.172(3) 4_655
Cs1 Se14 4.172(3) .
Cs2 Se12 3.785(3) .
Cs2 Se12 3.785(3) 4_655
Cs2 Se9 3.790(3) .
Cs2 Se9 3.790(3) 4_655
Cs2 Se11 3.8030(7) 1_655
Cs2 Se11 3.8030(7) .
Cs2 Se3 3.835(4) 2_664
Cs2 Se4 3.880(3) 3_554
Cs2 Se4 3.880(3) 2_654
Cs2 P2 3.888(8) 1_554
Cs2 Se6 3.899(4) 2_654
Cs3 Cs8B 2.96(4) 1_655
Cs3 Cs8B 2.96(4) 4
Cs3 Se1 3.628(3) 4_655
Cs3 Se1 3.628(3) .
Cs3 Se15 3.750(3) 2_665
Cs3 Se15 3.750(3) 3_565
Cs3 Cs8A 3.76868(14) 1_655
Cs3 Cs8A 3.76871(14) .
Cs3 Se5 3.770(3) .
Cs3 Se5 3.770(3) 4_655
Cs3 Se9 3.849(3) 3
Cs3 Se9 3.849(3) 2_655
Cs4 Se13 3.7927(6) 1_655
Cs4 Se13 3.7927(6) .
Cs4 Se3 3.823(4) .
Cs4 Se15 3.852(3) 4_655
Cs4 Se15 3.852(3) .
Cs4 Se14 3.864(3) .
Cs4 Se14 3.864(3) 4_655
Cs4 Se8 3.940(3) .
Cs4 Se8 3.940(3) 4_655
Cs4 P4 4.101(8) .
Cs4 Se7 4.198(5) 2_665
Cs4 Cs5 5.306(4) .
Cs5 Se5 3.640(3) 3_564
Cs5 Se5 3.640(3) 2_664
Cs5 Se16 3.7899(4) 1_655
Cs5 Se16 3.7899(4) .
Cs5 Se15 3.822(3) 4_655
Cs5 Se15 3.822(3) .
Cs5 Se14 3.839(4) 4_655
Cs5 Se14 3.839(4) .
Cs5 Se12 4.093(3) 4_655
Cs5 Se12 4.093(3) .
Cs5 Cs3 4.304(4) 2_664
Cs5 Bi2 4.5287(15) 1_655
Cs6 Se9 3.622(3) 3
Cs6 Se9 3.622(3) 2
Cs6 Se5 3.755(3) .
Cs6 Se5 3.755(3) 4
Cs6 Se6 3.7737(2) .
Cs6 Se6 3.7738(2) 1_455
Cs6 Se8 3.914(3) 4
Cs6 Se8 3.914(3) .
Cs6 Se4 3.918(3) 4
Cs6 Se4 3.918(3) .
Cs6 Bi1 4.5915(13) 1_455
Cs7 Se10 3.719(4) .
Cs7 Se1 3.728(4) 3_554
Cs7 Se1 3.728(4) 2_554
Cs7 Se2 3.7767(3) .
Cs7 Se2 3.7767(3) 1_455
Cs7 Se14 3.852(4) 4
Cs7 Se14 3.852(4) .
Cs7 Se4 3.879(3) .
Cs7 Se4 3.879(3) 4
Cs7 P7 4.093(10) .
Cs7 Bi1 4.6522(14) 1_455
Cs8A Cs8B 0.82(5) .
Cs8A Cs8B 0.82(5) 4
Cs8A Se1 3.716(3) .
Cs8A Se1 3.716(3) 4
Cs8A Se9 3.731(3) 2
Cs8A Se9 3.731(3) 3
Cs8A P8 3.757(10) 2_565
Cs8A Cs3 3.76874(14) 1_455
Cs8A Se15 3.773(4) 3_565
Cs8A Se15 3.773(4) 2_565
Cs8A Se5 3.786(3) .
Cs8B Cs8B 1.62(9) 4
Cs8B Cs3 2.96(4) 1_455
Cs8B Se1 3.30(3) 4
Cs8B Se15 3.33(4) 2_565
Cs8B Se5 3.50(3) 4
Cs8B Se9 3.52(3) 2
Cs8B P8 3.75(3) 2_565
Cs8B Se16 3.94(3) 2_565
Cs8B P5 4.07(4) 2
Cs8B Se1 4.14(4) .
Cs8B Se15 4.14(4) 3_565
Cs9 Se5 3.772(3) 3_564
Cs9 Se5 3.772(3) 2_564
Cs9 Se8 3.802(3) 3_564
Cs9 Se8 3.802(3) 2_564
Cs9 Se7 3.8100(7) .
Cs9 Se7 3.8100(7) 1_455
Cs9 Se12 3.839(3) .
Cs9 Se12 3.839(3) 4
Cs9 P6 4.071(9) .
Cs9 Se16 4.125(4) .
Cs9 Se11 4.319(5) .
Cs9 Cs6 5.091(3) 2_564
Cs10 Se15 3.687(3) .
Cs10 Se15 3.687(3) 4
Cs10 Se3 3.8069(7) .
Cs10 Se3 3.8069(7) 1_455
Cs10 Se1 3.870(4) 3_564
Cs10 Se1 3.870(4) 2_564
Cs10 Se4 3.881(3) 1_565
Cs10 Se4 3.881(3) 4_565
Cs10 Se11 4.072(4) 2_565
Cs10 P8 4.191(9) .
Cs10 Se13 4.214(5) .
Cs10 Cs8B 4.97(3) 3_564
Se1 P1 2.149(5) 2_655
Se1 Cs8B 3.30(4) 4
Se1 Cs7 3.729(4) 2
Se1 Cs10 3.870(4) 2_565
Se1 Cs1 3.988(3) 2_655
Se2 P1 2.238(10) .
Se2 Cs7 3.7766(3) 1_655
Se3 P2 2.114(9) 2_664
Se3 Cs10 3.8069(7) 1_655
Se3 Cs2 3.835(4) 2_665
Se4 P2 2.226(5) 2_654
Se4 Cs2 3.880(3) 2_655
Se4 Cs10 3.881(3) 1_545
Se5 P3 2.159(5) .
Se5 Cs8B 3.50(3) 4
Se5 Cs5 3.640(3) 2_665
Se5 Cs9 3.772(3) 2_565
Se6 P3 2.193(8) .
Se6 Cs6 3.7737(2) 1_655
Se6 Cs2 3.899(4) 2_655
Se7 P4 2.148(8) 2_664
Se7 Cs9 3.8100(7) 1_655
Se7 Cs4 4.198(5) 2_664
Se8 P4 2.206(5) .
Se8 Cs9 3.802(3) 2_565
Se9 P5 2.175(5) .
Se9 Cs8B 3.52(3) 2_554
Se9 Cs6 3.622(3) 2_554
Se9 Cs8A 3.731(3) 2_554
Se9 Cs3 3.849(3) 2_654
Se9 Cs8B 4.28(4) 3_554
Se10 P5 2.192(8) .
Se10 Cs1 3.7792(3) 1_455
Se10 Cs8A 4.181(4) 2_554
Se10 Cs8B 4.30(3) 3_554
Se10 Cs8B 4.30(3) 2_554
Se11 P6 2.118(8) .
Se11 Cs2 3.8031(7) 1_455
Se11 Cs10 4.072(4) 2_564
Se12 P6 2.214(5) .
Se13 P7 2.105(10) .
Se13 Cs4 3.7928(6) 1_455
Se14 P7 2.219(7) .
Se15 P8 2.165(5) .
Se15 Cs8B 3.33(4) 2_564
Se15 Cs3 3.750(3) 2_664
Se15 Cs8A 3.773(4) 2_564
Se15 Cs8B 4.14(4) 3_564
Se16 P8 2.220(9) .
Se16 Cs5 3.7899(4) 1_455
Se16 Cs8A 3.890(4) 2_564
Se16 Cs8B 3.94(3) 2_564
Se16 Cs8B 3.94(3) 3_564
P1 Se1 2.149(5) 2_654
P1 Se1 2.149(5) 3_554
P1 P2 2.241(12) 2_654
P1 Cs3 4.206(9) 2_654
P2 Se3 2.114(9) 2_665
P2 Se4 2.226(5) 2_655
P2 Se4 2.226(5) 3
P2 P1 2.241(12) 2_655
P2 Cs2 3.888(8) 1_556
P3 Se5 2.159(5) 4_655
P3 P4 2.268(12) .
P4 Se7 2.148(8) 2_665
P4 Se8 2.206(5) 4_655
P5 Se9 2.175(5) 4
P5 P6 2.224(11) .
P5 Cs8A 3.889(9) 2_554
P5 Cs8B 4.07(4) 3_554
P5 Cs8B 4.07(4) 2_554
P6 Se12 2.214(5) 4
P7 Se14 2.219(7) 4
P7 P8 2.252(13) .
P8 Se15 2.165(5) 4
P8 Cs8B 3.75(3) 2_564
P8 Cs8B 3.75(3) 3_564
P8 Cs8A 3.757(10) 2_564
