#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:45:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179392 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/89/4328910.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_4328910
loop_
_publ_author_name
'Hua Lin'
'Long-Hua Li'
'Ling Chen'
_publ_section_title
;
 Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide
 Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4588
_journal_page_last               4596
_journal_paper_doi               10.1021/ic202494w
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'Cl Cs6 Dy21 Se34'
_chemical_formula_sum            'Cl Cs6 Dy21 Se34'
_chemical_formula_weight         6930.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 128.686(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.787(7)
_cell_length_b                   20.290(7)
_cell_length_c                   13.484(6)
_cell_measurement_reflns_used    5226
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.0073
_cell_volume                     3799(3)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Bruker SHELXTL'
_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_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  Mercury2
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0547
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12320
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    39.525
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4839
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    6.059
_exptl_crystal_description       Block
_exptl_crystal_F_000             5778
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.0800
_refine_diff_density_max         2.095
_refine_diff_density_min         -3.046
_refine_diff_density_rms         0.427
_refine_ls_extinction_coef       0.000046(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         3432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0404P)²+51.5707P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1045
_reflns_number_gt                3235
_reflns_number_total             3432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202494w_si_001_5.cif
_cod_data_source_block           ClCs6Dy21Se34
_cod_database_code               4328910
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Cs1 Cs 0.42689(6) 0.37930(5) 0.27375(8) 0.0334(2) Uani 1 1 d .
Cs2 Cs 0.27350(8) 0.5000 0.41949(12) 0.0341(3) Uani 1 2 d S
Dy1 Dy 0.0000 0.30105(4) 0.0000 0.0176(2) Uani 1 2 d S
Dy2 Dy 0.25321(4) 0.20752(3) 0.24935(5) 0.01190(16) Uani 1 1 d .
Dy3 Dy 0.12817(3) 0.29890(3) 0.37654(5) 0.01182(16) Uani 1 1 d .
Dy4 Dy 0.0000 0.09907(4) 0.0000 0.01167(19) Uani 1 2 d S
Dy5 Dy 0.36556(4) 0.10180(3) 0.10864(5) 0.01210(16) Uani 1 1 d .
Dy6 Dy 0.5000 0.10099(4) 0.5000 0.0130(2) Uani 1 2 d S
Dy7 Dy 0.0000 0.5000 0.0000 0.0122(2) Uani 1 4 d S
Dy8 Dy 0.24341(5) 0.0000 0.25425(7) 0.01166(19) Uani 1 2 d S
Se1 Se 0.18671(11) 0.5000 0.06454(15) 0.0137(4) Uani 1 2 d S
Se2 Se 0.05874(11) 0.0000 0.18426(14) 0.0127(4) Uani 1 2 d S
Se3 Se 0.18852(8) 0.10042(6) 0.07156(11) 0.0123(3) Uani 1 1 d .
Se4 Se 0.18397(8) 0.30083(6) 0.06282(11) 0.0213(3) Uani 1 1 d .
Se5 Se 0.06719(8) 0.20167(6) 0.18605(10) 0.0124(3) Uani 1 1 d .
Se6 Se 0.43886(7) 0.19610(6) 0.31054(10) 0.0117(3) Uani 1 1 d .
Se7 Se 0.31321(8) 0.30047(6) 0.44214(10) 0.0134(3) Uani 1 1 d .
Se8 Se 0.31585(8) 0.10299(5) 0.43723(10) 0.0119(3) Uani 1 1 d .
Se9 Se 0.05488(8) 0.39981(6) 0.18406(10) 0.0124(3) Uani 1 1 d .
Se10 Se 0.42925(10) 0.0000 0.30779(13) 0.0107(3) Uani 1 2 d S
Cl1 Cl 0.5000 0.5000 0.5000 0.0331(16) Uani 1 4 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'
Cl Cl 0.1484 0.1585 '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
Cl1 Cs1 Se4 126.17(4) . .
Cl1 Cs1 Se6 128.77(4) . .
Se4 Cs1 Se6 67.65(3) . .
Cl1 Cs1 Se5 129.06(4) . 8
Se4 Cs1 Se5 104.77(5) . 8
Se6 Cs1 Se5 67.15(3) . 8
Cl1 Cs1 Se3 128.80(4) . 7
Se4 Cs1 Se3 68.09(3) . 7
Se6 Cs1 Se3 102.42(3) . 7
Se5 Cs1 Se3 67.19(4) 8 7
Cl1 Cs1 Se7 82.44(3) . 2_656
Se4 Cs1 Se7 130.12(4) . 2_656
Se6 Cs1 Se7 63.00(3) . 2_656
Se5 Cs1 Se7 62.24(4) 8 2_656
Se3 Cs1 Se7 129.11(4) 7 2_656
Cl1 Cs1 Se2 82.35(4) . 3
Se4 Cs1 Se2 129.74(5) . 3
Se6 Cs1 Se2 130.05(3) . 3
Se5 Cs1 Se2 63.13(4) 8 3
Se3 Cs1 Se2 62.31(3) 7 3
Se7 Cs1 Se2 89.40(5) 2_656 3
Cl1 Cs1 Se1 80.88(3) . .
Se4 Cs1 Se1 61.51(4) . .
Se6 Cs1 Se1 128.86(3) . .
Se5 Cs1 Se1 130.69(5) 8 .
Se3 Cs1 Se1 63.83(3) 7 .
Se7 Cs1 Se1 163.31(4) 2_656 .
Se2 Cs1 Se1 88.99(5) 3 .
Cl1 Cs1 Se7 80.53(4) . .
Se4 Cs1 Se7 61.90(4) . .
Se6 Cs1 Se7 63.58(3) . .
Se5 Cs1 Se7 130.30(4) 8 .
Se3 Cs1 Se7 129.70(4) 7 .
Se7 Cs1 Se7 89.36(5) 2_656 .
Se2 Cs1 Se7 162.85(3) 3 .
Se1 Cs1 Se7 87.31(4) . .
Cl1 Cs1 Dy5 118.47(3) . 7
Se4 Cs1 Dy5 37.34(2) . 7
Se6 Cs1 Dy5 99.55(3) . 7
Se5 Cs1 Dy5 101.35(5) 8 7
Se3 Cs1 Dy5 39.29(3) 7 7
Se7 Cs1 Dy5 159.06(3) 2_656 7
Se2 Cs1 Dy5 94.40(4) 3 7
Se1 Cs1 Dy5 37.59(2) . 7
Se7 Cs1 Dy5 92.85(5) . 7
Cl1 Cs1 Dy2 118.08(3) . .
Se4 Cs1 Dy2 37.30(3) . .
Se6 Cs1 Dy2 39.15(3) . .
Se5 Cs1 Dy2 101.44(4) 8 .
Se3 Cs1 Dy2 100.06(3) 7 .
Se7 Cs1 Dy2 95.05(4) 2_656 .
Se2 Cs1 Dy2 159.47(3) 3 .
Se1 Cs1 Dy2 92.25(4) . .
Se7 Cs1 Dy2 37.56(2) . .
Dy5 Cs1 Dy2 74.64(3) 7 .
Cl1 Cs1 Dy4 119.71(3) . 7
Se4 Cs1 Dy4 101.59(4) . 7
Se6 Cs1 Dy4 100.29(3) . 7
Se5 Cs1 Dy4 38.39(2) 8 7
Se3 Cs1 Dy4 37.91(3) 7 7
Se7 Cs1 Dy4 93.90(4) 2_656 7
Se2 Cs1 Dy4 37.36(2) 3 7
Se1 Cs1 Dy4 94.87(4) . 7
Se7 Cs1 Dy4 159.75(3) . 7
Dy5 Cs1 Dy4 77.20(4) 7 7
Dy2 Cs1 Dy4 122.19(3) . 7
Cl1 Cs2 Se9 131.16(4) . .
Cl1 Cs2 Se9 131.16(4) . 6_565
Se9 Cs2 Se9 66.08(5) . 6_565
Cl1 Cs2 Se8 128.00(3) . 4_556
Se9 Cs2 Se8 100.81(5) . 4_556
Se9 Cs2 Se8 65.69(4) 6_565 4_556
Cl1 Cs2 Se8 128.00(3) . 7_556
Se9 Cs2 Se8 65.69(4) . 7_556
Se9 Cs2 Se8 100.81(5) 6_565 7_556
Se8 Cs2 Se8 66.66(5) 4_556 7_556
Cl1 Cs2 Se1 83.01(4) . .
Se9 Cs2 Se1 64.20(4) . .
Se9 Cs2 Se1 64.20(4) 6_565 .
Se8 Cs2 Se1 129.46(4) 4_556 .
Se8 Cs2 Se1 129.46(4) 7_556 .
Cl1 Cs2 Se7 82.15(2) . 6_565
Se9 Cs2 Se7 130.02(4) . 6_565
Se9 Cs2 Se7 64.10(3) 6_565 6_565
Se8 Cs2 Se7 61.67(3) 4_556 6_565
Se8 Cs2 Se7 127.86(4) 7_556 6_565
Se1 Cs2 Se7 90.51(2) . 6_565
Cl1 Cs2 Se7 82.15(2) . .
Se9 Cs2 Se7 64.10(3) . .
Se9 Cs2 Se7 130.02(4) 6_565 .
Se8 Cs2 Se7 127.86(4) 4_556 .
Se8 Cs2 Se7 61.67(3) 7_556 .
Se1 Cs2 Se7 90.51(2) . .
Se7 Cs2 Se7 164.03(5) 6_565 .
Cl1 Cs2 Se2 80.68(4) . 7_556
Se9 Cs2 Se2 128.23(4) . 7_556
Se9 Cs2 Se2 128.23(4) 6_565 7_556
Se8 Cs2 Se2 62.76(4) 4_556 7_556
Se8 Cs2 Se2 62.77(4) 7_556 7_556
Se1 Cs2 Se2 163.69(5) . 7_556
Se7 Cs2 Se2 87.28(2) 6_565 7_556
Se7 Cs2 Se2 87.28(2) . 7_556
Cl1 Cs2 Dy8 117.42(3) . 7_556
Se9 Cs2 Dy8 99.07(4) . 7_556
Se9 Cs2 Dy8 99.07(4) 6_565 7_556
Se8 Cs2 Dy8 38.29(2) 4_556 7_556
Se8 Cs2 Dy8 38.29(2) 7_556 7_556
Se1 Cs2 Dy8 159.57(4) . 7_556
Se7 Cs2 Dy8 92.30(3) 6_565 7_556
Se7 Cs2 Dy8 92.30(3) . 7_556
Se2 Cs2 Dy8 36.74(4) 7_556 7_556
Cl1 Cs2 Dy7 120.95(4) . .
Se9 Cs2 Dy7 38.40(2) . .
Se9 Cs2 Dy7 38.40(2) 6_565 .
Se8 Cs2 Dy7 99.66(4) 4_556 .
Se8 Cs2 Dy7 99.66(5) 7_556 .
Se1 Cs2 Dy7 37.94(3) . .
Se7 Cs2 Dy7 95.29(2) 6_565 .
Se7 Cs2 Dy7 95.29(2) . .
Se2 Cs2 Dy7 158.37(4) 7_556 .
Dy8 Cs2 Dy7 121.63(5) 7_556 .
Cl1 Cs2 Dy3 119.04(2) . .
Se9 Cs2 Dy3 38.36(2) . .
Se9 Cs2 Dy3 99.73(4) 6_565 .
Se8 Cs2 Dy3 99.70(4) 4_556 .
Se8 Cs2 Dy3 37.63(2) 7_556 .
Se1 Cs2 Dy3 94.69(2) . .
Se7 Cs2 Dy3 158.62(4) 6_565 .
Se7 Cs2 Dy3 36.88(3) . .
Se2 Cs2 Dy3 93.21(2) 7_556 .
Dy8 Cs2 Dy3 75.89(2) 7_556 .
Dy7 Cs2 Dy3 76.70(2) . .
Se4 Dy1 Se4 179.82(6) . 2
Se4 Dy1 Se5 91.88(4) . 2
Se4 Dy1 Se5 87.99(4) 2 2
Se4 Dy1 Se5 87.99(4) . .
Se4 Dy1 Se5 91.88(4) 2 .
Se5 Dy1 Se5 89.34(6) 2 .
Se4 Dy1 Se9 92.18(4) . .
Se4 Dy1 Se9 87.95(4) 2 .
Se5 Dy1 Se9 175.90(3) 2 .
Se5 Dy1 Se9 90.23(5) . .
Se4 Dy1 Se9 87.95(4) . 2
Se4 Dy1 Se9 92.18(4) 2 2
Se5 Dy1 Se9 90.23(5) 2 2
Se5 Dy1 Se9 175.90(3) . 2
Se9 Dy1 Se9 90.48(6) . 2
Se4 Dy2 Se7 94.45(5) . .
Se4 Dy2 Se5 88.99(4) . .
Se7 Dy2 Se5 90.20(4) . .
Se4 Dy2 Se6 95.48(4) . .
Se7 Dy2 Se6 94.84(4) . .
Se5 Dy2 Se6 172.97(4) . .
Se4 Dy2 Se3 92.32(5) . .
Se7 Dy2 Se3 172.30(4) . .
Se5 Dy2 Se3 86.25(4) . .
Se6 Dy2 Se3 88.15(4) . .
Se4 Dy2 Se8 176.34(4) . .
Se7 Dy2 Se8 88.11(5) . .
Se5 Dy2 Se8 88.39(4) . .
Se6 Dy2 Se8 86.89(4) . .
Se3 Dy2 Se8 84.97(5) . .
Se4 Dy2 Cs1 55.37(3) . .
Se7 Dy2 Cs1 64.63(3) . .
Se5 Dy2 Cs1 131.57(3) . .
Se6 Dy2 Cs1 55.34(3) . .
Se3 Dy2 Cs1 122.59(4) . .
Se8 Dy2 Cs1 128.24(3) . .
Se7 Dy3 Se7 90.55(4) 7_556 .
Se7 Dy3 Se8 89.96(5) 7_556 7_556
Se7 Dy3 Se8 91.10(4) . 7_556
Se7 Dy3 Se5 90.72(5) 7_556 .
Se7 Dy3 Se5 90.15(3) . .
Se8 Dy3 Se5 178.57(3) 7_556 .
Se7 Dy3 Se6 91.16(4) 7_556 8_455
Se7 Dy3 Se6 177.33(4) . 8_455
Se8 Dy3 Se6 86.85(4) 7_556 8_455
Se5 Dy3 Se6 91.87(3) . 8_455
Se7 Dy3 Se9 176.18(4) 7_556 .
Se7 Dy3 Se9 93.23(4) . .
Se8 Dy3 Se9 90.54(5) 7_556 .
Se5 Dy3 Se9 88.70(5) . .
Se6 Dy3 Se9 85.09(3) 8_455 .
Se7 Dy3 Dy3 45.33(3) 7_556 7_556
Se7 Dy3 Dy3 45.21(3) . 7_556
Se8 Dy3 Dy3 90.75(4) 7_556 7_556
Se5 Dy3 Dy3 90.62(4) . 7_556
Se6 Dy3 Dy3 136.46(4) 8_455 7_556
Se9 Dy3 Dy3 138.44(3) . 7_556
Se7 Dy3 Cs1 60.04(3) 7_556 8_455
Se7 Dy3 Cs1 129.18(3) . 8_455
Se8 Dy3 Cs1 125.83(3) 7_556 8_455
Se5 Dy3 Cs1 53.61(3) . 8_455
Se6 Dy3 Cs1 53.49(3) 8_455 8_455
Se9 Dy3 Cs1 116.81(3) . 8_455
Dy3 Dy3 Cs1 95.44(4) 7_556 8_455
Se7 Dy3 Cs2 129.92(3) 7_556 .
Se7 Dy3 Cs2 60.31(3) . .
Se8 Dy3 Cs2 54.50(3) 7_556 .
Se5 Dy3 Cs2 125.73(4) . .
Se6 Dy3 Cs2 117.04(3) 8_455 .
Se9 Dy3 Cs2 52.97(3) . .
Dy3 Dy3 Cs2 95.93(3) 7_556 .
Cs1 Dy3 Cs2 168.62(2) 8_455 .
Se2 Dy4 Se2 89.85(6) 5 .
Se2 Dy4 Se3 89.94(4) 5 2
Se2 Dy4 Se3 90.84(4) . 2
Se2 Dy4 Se3 90.84(4) 5 .
Se2 Dy4 Se3 89.94(4) . .
Se3 Dy4 Se3 178.90(5) 2 .
Se2 Dy4 Se5 177.04(4) 5 .
Se2 Dy4 Se5 91.38(5) . .
Se3 Dy4 Se5 92.74(3) 2 .
Se3 Dy4 Se5 86.47(3) . .
Se2 Dy4 Se5 91.38(5) 5 2
Se2 Dy4 Se5 177.04(4) . 2
Se3 Dy4 Se5 86.47(3) 2 2
Se3 Dy4 Se5 92.74(3) . 2
Se5 Dy4 Se5 87.52(6) . 2
Se2 Dy4 Dy8 44.33(4) 5 5
Se2 Dy4 Dy8 90.19(4) . 5
Se3 Dy4 Dy8 45.62(3) 2 5
Se3 Dy4 Dy8 135.16(3) . 5
Se5 Dy4 Dy8 138.34(3) . 5
Se5 Dy4 Dy8 88.80(3) 2 5
Se2 Dy4 Dy8 90.19(4) 5 .
Se2 Dy4 Dy8 44.33(4) . .
Se3 Dy4 Dy8 135.16(3) 2 .
Se3 Dy4 Dy8 45.62(3) . .
Se5 Dy4 Dy8 88.80(3) . .
Se5 Dy4 Dy8 138.34(3) 2 .
Dy8 Dy4 Dy8 119.63(3) 5 .
Se2 Dy4 Cs1 129.10(4) 5 8_455
Se2 Dy4 Cs1 60.22(4) . 8_455
Se3 Dy4 Cs1 54.05(3) 2 8_455
Se3 Dy4 Cs1 125.82(3) . 8_455
Se5 Dy4 Cs1 53.76(3) . 8_455
Se5 Dy4 Cs1 117.03(4) 2 8_455
Dy8 Dy4 Cs1 92.18(4) 5 8_455
Dy8 Dy4 Cs1 93.28(4) . 8_455
Se2 Dy4 Cs1 60.22(4) 5 7
Se2 Dy4 Cs1 129.10(4) . 7
Se3 Dy4 Cs1 125.82(3) 2 7
Se3 Dy4 Cs1 54.05(3) . 7
Se5 Dy4 Cs1 117.03(4) . 7
Se5 Dy4 Cs1 53.76(3) 2 7
Dy8 Dy4 Cs1 93.28(4) 5 7
Dy8 Dy4 Cs1 92.18(4) . 7
Cs1 Dy4 Cs1 169.14(3) 8_455 7
Se4 Dy5 Se1 93.68(5) 7 7
Se4 Dy5 Se9 89.68(4) 7 8
Se1 Dy5 Se9 89.51(4) 7 8
Se4 Dy5 Se3 96.98(4) 7 .
Se1 Dy5 Se3 95.24(4) 7 .
Se9 Dy5 Se3 171.54(4) 8 .
Se4 Dy5 Se6 92.03(5) 7 .
Se1 Dy5 Se6 172.87(4) 7 .
Se9 Dy5 Se6 86.25(3) 8 .
Se3 Dy5 Se6 88.30(4) . .
Se4 Dy5 Se10 176.73(4) 7 .
Se1 Dy5 Se10 88.93(5) 7 .
Se9 Dy5 Se10 88.38(4) 8 .
Se3 Dy5 Se10 84.73(4) . .
Se6 Dy5 Se10 85.22(5) . .
Se4 Dy5 Cs1 55.88(3) 7 7
Se1 Dy5 Cs1 64.20(4) 7 7
Se9 Dy5 Cs1 132.27(4) 8 7
Se3 Dy5 Cs1 56.18(4) . 7
Se6 Dy5 Cs1 122.76(3) . 7
Se10 Dy5 Cs1 127.22(4) . 7
Se6 Dy6 Se6 93.69(6) 2_656 .
Se6 Dy6 Se8 90.02(3) 2_656 2_656
Se6 Dy6 Se8 88.85(3) . 2_656
Se6 Dy6 Se8 88.85(3) 2_656 .
Se6 Dy6 Se8 90.02(3) . .
Se8 Dy6 Se8 178.35(5) 2_656 .
Se6 Dy6 Se10 176.51(4) 2_656 .
Se6 Dy6 Se10 88.15(5) . .
Se8 Dy6 Se10 92.98(4) 2_656 .
Se8 Dy6 Se10 88.18(4) . .
Se6 Dy6 Se10 88.15(5) 2_656 5_656
Se6 Dy6 Se10 176.51(4) . 5_656
Se8 Dy6 Se10 88.18(4) 2_656 5_656
Se8 Dy6 Se10 92.98(4) . 5_656
Se10 Dy6 Se10 90.17(6) . 5_656
Se1 Dy7 Se1 180.0 5_565 .
Se1 Dy7 Se9 91.97(3) 5_565 2
Se1 Dy7 Se9 88.03(3) . 2
Se1 Dy7 Se9 88.03(3) 5_565 6_565
Se1 Dy7 Se9 91.97(3) . 6_565
Se9 Dy7 Se9 180.00(5) 2 6_565
Se1 Dy7 Se9 91.97(3) 5_565 5_565
Se1 Dy7 Se9 88.03(3) . 5_565
Se9 Dy7 Se9 90.34(6) 2 5_565
Se9 Dy7 Se9 89.66(6) 6_565 5_565
Se1 Dy7 Se9 88.03(3) 5_565 .
Se1 Dy7 Se9 91.97(3) . .
Se9 Dy7 Se9 89.66(6) 2 .
Se9 Dy7 Se9 90.34(6) 6_565 .
Se9 Dy7 Se9 180.00(3) 5_565 .
Se1 Dy7 Cs2 120.50(4) 5_565 .
Se1 Dy7 Cs2 59.50(4) . .
Se9 Dy7 Cs2 126.11(3) 2 .
Se9 Dy7 Cs2 53.89(3) 6_565 .
Se9 Dy7 Cs2 126.11(3) 5_565 .
Se9 Dy7 Cs2 53.89(3) . .
Se1 Dy7 Cs2 59.50(4) 5_565 5_565
Se1 Dy7 Cs2 120.50(4) . 5_565
Se9 Dy7 Cs2 53.89(3) 2 5_565
Se9 Dy7 Cs2 126.11(3) 6_565 5_565
Se9 Dy7 Cs2 53.89(3) 5_565 5_565
Se9 Dy7 Cs2 126.11(3) . 5_565
Cs2 Dy7 Cs2 180.0 . 5_565
Se2 Dy8 Se8 95.29(4) . .
Se2 Dy8 Se8 95.29(4) . 6
Se8 Dy8 Se8 94.18(6) . 6
Se2 Dy8 Se3 90.73(4) . 6
Se8 Dy8 Se3 173.69(4) . 6
Se8 Dy8 Se3 87.11(5) 6 6
Se2 Dy8 Se3 90.73(4) . .
Se8 Dy8 Se3 87.11(5) . .
Se8 Dy8 Se3 173.69(4) 6 .
Se3 Dy8 Se3 90.96(6) 6 .
Se2 Dy8 Se10 175.88(5) . .
Se8 Dy8 Se10 87.51(4) . .
Se8 Dy8 Se10 87.51(4) 6 .
Se3 Dy8 Se10 86.38(4) 6 .
Se3 Dy8 Se10 86.38(4) . .
Se2 Dy8 Dy4 45.25(3) . 5
Se8 Dy8 Dy4 140.49(3) . 5
Se8 Dy8 Dy4 92.00(3) 6 5
Se3 Dy8 Dy4 45.49(3) 6 5
Se3 Dy8 Dy4 90.91(4) . 5
Se10 Dy8 Dy4 131.78(4) . 5
Se2 Dy8 Dy4 45.25(3) . .
Se8 Dy8 Dy4 92.00(3) . .
Se8 Dy8 Dy4 140.49(3) 6 .
Se3 Dy8 Dy4 90.91(4) 6 .
Se3 Dy8 Dy4 45.49(3) . .
Se10 Dy8 Dy4 131.78(4) . .
Dy4 Dy8 Dy4 60.37(3) 5 .
Se2 Dy8 Cs2 63.67(4) . 7_556
Se8 Dy8 Cs2 55.69(3) . 7_556
Se8 Dy8 Cs2 55.69(3) 6 7_556
Se3 Dy8 Cs2 129.35(3) 6 7_556
Se3 Dy8 Cs2 129.35(3) . 7_556
Se10 Dy8 Cs2 120.45(4) . 7_556
Dy4 Dy8 Cs2 97.88(4) 5 7_556
Dy4 Dy8 Cs2 97.88(4) . 7_556
Dy5 Se1 Dy5 94.83(6) 7 4
Dy5 Se1 Dy7 91.67(4) 7 .
Dy5 Se1 Dy7 91.67(4) 4 .
Dy5 Se1 Cs2 132.39(3) 7 .
Dy5 Se1 Cs2 132.39(3) 4 .
Dy7 Se1 Cs2 82.56(4) . .
Dy5 Se1 Cs1 131.81(6) 7 6_565
Dy5 Se1 Cs1 78.21(3) 4 6_565
Dy7 Se1 Cs1 135.64(4) . 6_565
Cs2 Se1 Cs1 73.92(3) . 6_565
Dy5 Se1 Cs1 78.21(3) 7 .
Dy5 Se1 Cs1 131.81(6) 4 .
Dy7 Se1 Cs1 135.64(4) . .
Cs2 Se1 Cs1 73.92(3) . .
Cs1 Se1 Cs1 72.53(5) 6_565 .
Dy8 Se2 Dy4 90.43(4) . 5
Dy8 Se2 Dy4 90.43(4) . .
Dy4 Se2 Dy4 90.15(6) 5 .
Dy8 Se2 Cs1 132.46(4) . 3_445
Dy4 Se2 Cs1 82.42(4) 5 3_445
Dy4 Se2 Cs1 136.22(5) . 3_445
Dy8 Se2 Cs1 132.46(4) . 8_455
Dy4 Se2 Cs1 136.22(5) 5 8_455
Dy4 Se2 Cs1 82.42(4) . 8_455
Cs1 Se2 Cs1 74.18(5) 3_445 8_455
Dy8 Se2 Cs2 79.59(4) . 7_556
Dy4 Se2 Cs2 134.10(3) 5 7_556
Dy4 Se2 Cs2 134.10(3) . 7_556
Cs1 Se2 Cs2 72.78(4) 3_445 7_556
Cs1 Se2 Cs2 72.78(4) 8_455 7_556
Dy4 Se3 Dy8 88.90(4) . .
Dy4 Se3 Dy5 172.52(5) . .
Dy8 Se3 Dy5 96.35(4) . .
Dy4 Se3 Dy2 93.56(4) . .
Dy8 Se3 Dy2 94.40(5) . .
Dy5 Se3 Dy2 91.36(4) . .
Dy4 Se3 Cs1 88.03(3) . 7
Dy8 Se3 Cs1 140.72(4) . 7
Dy5 Se3 Cs1 84.53(4) . 7
Dy2 Se3 Cs1 124.88(4) . 7
Dy5 Se4 Dy2 174.03(5) 7 .
Dy5 Se4 Dy1 92.57(4) 7 .
Dy2 Se4 Dy1 92.75(4) . .
Dy5 Se4 Cs1 86.78(4) 7 .
Dy2 Se4 Cs1 87.33(4) . .
Dy1 Se4 Cs1 143.24(5) . .
Dy1 Se5 Dy2 90.21(3) . .
Dy1 Se5 Dy3 91.01(5) . .
Dy2 Se5 Dy3 89.12(3) . .
Dy1 Se5 Dy4 91.57(5) . .
Dy2 Se5 Dy4 93.60(4) . .
Dy3 Se5 Dy4 176.25(5) . .
Dy1 Se5 Cs1 126.59(4) . 8_455
Dy2 Se5 Cs1 143.15(4) . 8_455
Dy3 Se5 Cs1 88.42(4) . 8_455
Dy4 Se5 Cs1 87.85(4) . 8_455
Dy6 Se6 Dy2 92.21(3) . .
Dy6 Se6 Dy5 95.27(5) . .
Dy2 Se6 Dy5 91.27(3) . .
Dy6 Se6 Dy3 91.70(3) . 8
Dy2 Se6 Dy3 173.31(5) . 8
Dy5 Se6 Dy3 93.78(4) . 8
Dy6 Se6 Cs1 139.29(4) . .
Dy2 Se6 Cs1 85.51(3) . .
Dy5 Se6 Cs1 125.39(4) . .
Dy3 Se6 Cs1 87.98(3) 8 .
Dy3 Se7 Dy3 89.45(4) 7_556 .
Dy3 Se7 Dy2 92.45(5) 7_556 .
Dy3 Se7 Dy2 90.47(3) . .
Dy3 Se7 Cs1 82.96(4) 7_556 2_656
Dy3 Se7 Cs1 135.81(5) . 2_656
Dy2 Se7 Cs1 133.15(4) . 2_656
Dy3 Se7 Cs2 136.57(4) 7_556 .
Dy3 Se7 Cs2 82.80(3) . .
Dy2 Se7 Cs2 130.09(4) . .
Cs1 Se7 Cs2 73.85(3) 2_656 .
Dy3 Se7 Cs1 134.53(4) 7_556 .
Dy3 Se7 Cs1 134.23(4) . .
Dy2 Se7 Cs1 77.81(4) . .
Cs1 Se7 Cs1 73.15(5) 2_656 .
Cs2 Se7 Cs1 72.59(3) . .
Dy6 Se8 Dy3 92.57(3) . 7_556
Dy6 Se8 Dy8 93.49(4) . .
Dy3 Se8 Dy8 173.23(5) 7_556 .
Dy6 Se8 Dy2 90.72(4) . .
Dy3 Se8 Dy2 89.48(5) 7_556 .
Dy8 Se8 Dy2 93.45(5) . .
Dy6 Se8 Cs2 127.90(4) . 7_556
Dy3 Se8 Cs2 87.88(4) 7_556 7_556
Dy8 Se8 Cs2 86.02(4) . 7_556
Dy2 Se8 Cs2 141.36(5) . 7_556
Dy5 Se9 Dy1 89.77(3) 8_455 .
Dy5 Se9 Dy7 90.70(3) 8_455 .
Dy1 Se9 Dy7 89.93(5) . .
Dy5 Se9 Dy3 94.66(4) 8_455 .
Dy1 Se9 Dy3 90.04(5) . .
Dy7 Se9 Dy3 174.63(5) . .
Dy5 Se9 Cs2 133.02(5) 8_455 .
Dy1 Se9 Cs2 137.15(4) . .
Dy7 Se9 Cs2 87.71(4) . .
Dy3 Se9 Cs2 88.67(4) . .
Dy6 Se10 Dy6 89.83(6) . 5_656
Dy6 Se10 Dy8 90.73(4) . .
Dy6 Se10 Dy8 90.73(4) 5_656 .
Dy6 Se10 Dy5 176.56(6) . 6
Dy6 Se10 Dy5 91.36(4) 5_656 6
Dy8 Se10 Dy5 92.48(4) . 6
Dy6 Se10 Dy5 91.36(4) . .
Dy6 Se10 Dy5 176.56(6) 5_656 .
Dy8 Se10 Dy5 92.48(4) . .
Dy5 Se10 Dy5 87.28(5) 6 .
Cs2 Cl1 Cs2 180.0 5_666 .
Cs2 Cl1 Cs1 89.93(2) 5_666 .
Cs2 Cl1 Cs1 90.07(2) . .
Cs2 Cl1 Cs1 90.07(2) 5_666 5_666
Cs2 Cl1 Cs1 89.93(2) . 5_666
Cs1 Cl1 Cs1 180.0 . 5_666
Cs2 Cl1 Cs1 90.07(2) 5_666 2_656
Cs2 Cl1 Cs1 89.93(2) . 2_656
Cs1 Cl1 Cs1 90.20(5) . 2_656
Cs1 Cl1 Cs1 89.80(5) 5_666 2_656
Cs2 Cl1 Cs1 89.93(2) 5_666 6_565
Cs2 Cl1 Cs1 90.07(2) . 6_565
Cs1 Cl1 Cs1 89.80(5) . 6_565
Cs1 Cl1 Cs1 90.20(5) 5_666 6_565
Cs1 Cl1 Cs1 180.00(3) 2_656 6_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 Cl1 3.4694(14) .
Cs1 Se4 3.732(2) .
Cs1 Se6 3.738(2) .
Cs1 Se5 3.7434(18) 8
Cs1 Se3 3.757(2) 7
Cs2 Cl1 3.456(2) .
Cs2 Se9 3.7282(18) .
Cs2 Se9 3.7282(18) 6_565
Cs2 Se8 3.8032(18) 4_556
Cs2 Se8 3.8032(18) 7_556
Dy1 Se4 2.8214(18) .
Dy1 Se4 2.8214(18) 2
Dy1 Se5 2.8355(15) 2
Dy1 Se5 2.8355(15) .
Dy1 Se9 2.8460(15) .
Dy1 Se9 2.8460(15) 2
Dy2 Se4 2.7487(15) .
Dy2 Se7 2.8259(15) .
Dy2 Se5 2.8565(18) .
Dy2 Se6 2.8693(18) .
Dy2 Se3 2.8888(15) .
Dy2 Se8 2.9374(15) .
Dy3 Se7 2.8184(15) 7_556
Dy3 Se7 2.8243(18) .
Dy3 Se8 2.8521(15) 7_556
Dy3 Se5 2.8607(15) .
Dy3 Se6 2.8974(18) 8_455
Dy3 Se9 2.8980(15) .
Dy3 Dy3 3.9708(15) 7_556
Dy4 Se2 2.8391(14) 5
Dy4 Se2 2.8391(14) .
Dy4 Se3 2.8516(17) 2
Dy4 Se3 2.8516(17) .
Dy4 Se5 2.8822(15) .
Dy4 Se5 2.8822(15) 2
Dy4 Dy8 3.9980(13) 5
Dy4 Dy8 3.9980(13) .
Dy5 Se4 2.7346(15) 7
Dy5 Se1 2.8053(14) 7
Dy5 Se9 2.8450(18) 8
Dy5 Se3 2.8632(18) .
Dy5 Se6 2.8870(15) .
Dy5 Se10 2.9930(15) .
Dy6 Se6 2.8214(15) 2_656
Dy6 Se6 2.8214(15) .
Dy6 Se8 2.8250(17) 2_656
Dy6 Se8 2.8250(17) .
Dy6 Se10 2.9022(14) .
Dy6 Se10 2.9022(14) 5_656
Dy7 Se1 2.859(2) 5_565
Dy7 Se1 2.859(2) .
Dy7 Se9 2.8663(14) 2
Dy7 Se9 2.8664(14) 6_565
Dy7 Se9 2.8663(14) 5_565
Dy7 Se9 2.8664(14) .
Dy8 Se2 2.794(2) .
Dy8 Se8 2.8531(14) .
Dy8 Se8 2.8531(14) 6
Dy8 Se3 2.8577(15) 6
Dy8 Se3 2.8577(15) .
Dy8 Se10 2.909(2) .
Dy8 Dy4 3.9980(13) 5
Se1 Dy5 2.8053(14) 7
Se1 Dy5 2.8053(14) 4
Se2 Dy4 2.8391(14) 5
Se3 Cs1 3.757(2) 7
Se4 Dy5 2.7346(15) 7
Se5 Cs1 3.7434(18) 8_455
Se6 Dy3 2.8974(18) 8
Se7 Dy3 2.8184(15) 7_556
Se8 Dy3 2.8521(15) 7_556
Se8 Cs2 3.8032(18) 7_556
Se9 Dy5 2.8450(18) 8_455
Se10 Dy6 2.9022(14) 5_656
Se10 Dy5 2.9930(15) 6
Cl1 Cs2 3.456(2) 5_666
Cl1 Cs1 3.4694(14) 5_666
Cl1 Cs1 3.4694(14) 2_656
Cl1 Cs1 3.4694(14) 6_565
