#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/07/4000743.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_4000743
loop_
_publ_author_name
'Jin, Geng Bang'
'Choi, Eun Sang'
'Guertin, Robert P.'
'Booth, Corwin H.'
'Albrecht-Schmitt, Thomas E.'
_publ_section_title
;
 Syntheses, Structure, Magnetism, and Optical Properties of the Ordered
 Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q
 = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5
;
_journal_issue                   5
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1306
_journal_paper_doi               10.1021/cm103347u
_journal_volume                  23
_journal_year                    2011
_chemical_formula_moiety         'Ce2 Yb Cu Se5'
_chemical_formula_sum            'Ce2 Cu Se5 Yb'
_chemical_formula_weight         911.62
_chemical_name_common            'cerium ytterbium copper selenide'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_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                   12.1113(7)
_cell_length_b                   4.0780(3)
_cell_length_c                   17.5714(11)
_cell_measurement_reflns_used    6171
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.04
_cell_volume                     867.85(10)
_computing_cell_refinement       'SMART SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELCIF-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '0.3 wide w/ exposures'
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5950
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         na
_exptl_absorpt_coefficient_mu    44.261
_exptl_absorpt_correction_T_max  0.23157
_exptl_absorpt_correction_T_min  0.09073
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.977
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.048
_exptl_crystal_size_min          0.034
_refine_diff_density_max         2.763
_refine_diff_density_min         -1.904
_refine_diff_density_rms         0.388
_refine_ls_extinction_coef       0.00126(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         1221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0321P)²+16.6296P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                1134
_reflns_number_total             1221
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm103347u_si_001.cif
_cod_data_source_block           face
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'nm' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               4000743
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
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
Ce1 Ce 0.97655(5) -0.2500 0.82318(3) 0.00879(17) Uani 1 2 d S
Ce2 Ce 0.86705(5) 0.2500 0.40011(3) 0.00829(16) Uani 1 2 d S
Yb1 Yb 0.80462(4) 0.2500 0.63513(3) 0.01301(16) Uani 1 2 d S
Cu1 Cu 0.6744(3) -0.2500 0.5201(2) 0.0129(8) Uani 0.35 2 d SP
Cu2 Cu 0.5836(2) -0.2500 0.50324(12) 0.0172(5) Uani 0.65 2 d SP
Se1 Se 1.01410(8) 0.2500 0.69834(6) 0.0078(2) Uani 1 2 d S
Se2 Se 0.81391(8) -0.7500 0.88607(6) 0.0087(2) Uani 1 2 d S
Se3 Se 0.88750(9) -0.2500 0.53306(6) 0.0103(2) Uani 1 2 d S
Se4 Se 0.59369(8) 0.2500 0.57647(6) 0.0098(2) Uani 1 2 d S
Se5 Se 0.74057(9) -0.2500 0.73077(6) 0.0090(2) 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
Cu Cu 0.3201 1.2651 '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'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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
Se1 Ce1 Se1 84.61(3) 1_545 .
Se1 Ce1 Se2 144.21(3) 1_545 1_565
Se1 Ce1 Se2 84.79(2) . 1_565
Se1 Ce1 Se2 84.79(2) 1_545 .
Se1 Ce1 Se2 144.22(3) . .
Se2 Ce1 Se2 84.15(3) 1_565 .
Se1 Ce1 Se4 143.11(3) 1_545 6_657
Se1 Ce1 Se4 84.19(2) . 6_657
Se2 Ce1 Se4 69.07(3) 1_565 6_657
Se2 Ce1 Se4 122.67(3) . 6_657
Se1 Ce1 Se4 84.19(2) 1_545 6_647
Se1 Ce1 Se4 143.11(3) . 6_647
Se2 Ce1 Se4 122.67(3) 1_565 6_647
Se2 Ce1 Se4 69.07(3) . 6_647
Se4 Ce1 Se4 84.04(3) 6_657 6_647
Se1 Ce1 Se5 76.87(3) 1_545 .
Se1 Ce1 Se5 76.87(3) . .
Se2 Ce1 Se5 67.45(2) 1_565 .
Se2 Ce1 Se5 67.45(2) . .
Se4 Ce1 Se5 133.700(19) 6_657 .
Se4 Ce1 Se5 133.700(19) 6_647 .
Se1 Ce1 Cu2 127.42(3) 1_545 6_657
Se1 Ce1 Cu2 127.42(3) . 6_657
Se2 Ce1 Cu2 85.36(4) 1_565 6_657
Se2 Ce1 Cu2 85.36(4) . 6_657
Se4 Ce1 Cu2 44.36(2) 6_657 6_657
Se4 Ce1 Cu2 44.36(2) 6_647 6_657
Se5 Ce1 Cu2 142.64(5) . 6_657
Se1 Ce1 Se5 69.53(2) 1_545 6_657
Se1 Ce1 Se5 69.53(2) . 6_657
Se2 Ce1 Se5 136.375(17) 1_565 6_657
Se2 Ce1 Se5 136.376(17) . 6_657
Se4 Ce1 Se5 73.62(3) 6_657 6_657
Se4 Ce1 Se5 73.62(3) 6_647 6_657
Se5 Ce1 Se5 133.882(19) . 6_657
Cu2 Ce1 Se5 83.48(5) 6_657 6_657
Se1 Ce1 Cu1 116.59(5) 1_545 6_657
Se1 Ce1 Cu1 116.59(5) . 6_657
Se2 Ce1 Cu1 98.69(5) 1_565 6_657
Se2 Ce1 Cu1 98.69(5) . 6_657
Se4 Ce1 Cu1 42.066(16) 6_657 6_657
Se4 Ce1 Cu1 42.066(16) 6_647 6_657
Se5 Ce1 Cu1 160.64(7) . 6_657
Cu2 Ce1 Cu1 18.01(8) 6_657 6_657
Se5 Ce1 Cu1 65.47(7) 6_657 6_657
Se1 Ce1 Cu2 169.78(3) 1_545 2_655
Se1 Ce1 Cu2 105.55(2) . 2_655
Se2 Ce1 Cu2 38.82(4) 1_565 2_655
Se2 Ce1 Cu2 86.20(3) . 2_655
Se4 Ce1 Cu2 41.83(4) 6_657 2_655
Se4 Ce1 Cu2 88.10(3) 6_647 2_655
Se5 Ce1 Cu2 104.03(4) . 2_655
Cu2 Ce1 Cu2 46.76(5) 6_657 2_655
Se5 Ce1 Cu2 114.63(4) 6_657 2_655
Cu1 Ce1 Cu2 60.15(6) 6_657 2_655
Se1 Ce1 Cu2 105.55(2) 1_545 2_645
Se1 Ce1 Cu2 169.78(3) . 2_645
Se2 Ce1 Cu2 86.20(3) 1_565 2_645
Se2 Ce1 Cu2 38.82(4) . 2_645
Se4 Ce1 Cu2 88.10(3) 6_657 2_645
Se4 Ce1 Cu2 41.83(4) 6_647 2_645
Se5 Ce1 Cu2 104.03(4) . 2_645
Cu2 Ce1 Cu2 46.76(5) 6_657 2_645
Se5 Ce1 Cu2 114.63(4) 6_657 2_645
Cu1 Ce1 Cu2 60.15(6) 6_657 2_645
Cu2 Ce1 Cu2 64.26(4) 2_655 2_645
Se2 Ce2 Se2 85.51(3) 2_644 2_654
Se2 Ce2 Se1 80.98(2) 2_644 5_756
Se2 Ce2 Se1 139.01(3) 2_654 5_756
Se2 Ce2 Se1 139.01(3) 2_644 5_766
Se2 Ce2 Se1 80.98(2) 2_654 5_766
Se1 Ce2 Se1 84.36(3) 5_756 5_766
Se2 Ce2 Se3 71.02(2) 2_644 .
Se2 Ce2 Se3 124.38(3) 2_654 .
Se1 Ce2 Se3 87.13(2) 5_756 .
Se1 Ce2 Se3 146.12(3) 5_766 .
Se2 Ce2 Se3 124.38(3) 2_644 1_565
Se2 Ce2 Se3 71.02(2) 2_654 1_565
Se1 Ce2 Se3 146.12(3) 5_756 1_565
Se1 Ce2 Se3 87.13(2) 5_766 1_565
Se3 Ce2 Se3 81.91(3) . 1_565
Se2 Ce2 Se3 135.139(18) 2_644 5_756
Se2 Ce2 Se3 135.139(18) 2_654 5_756
Se1 Ce2 Se3 76.61(3) 5_756 5_756
Se1 Ce2 Se3 76.61(3) 5_766 5_756
Se3 Ce2 Se3 69.51(3) . 5_756
Se3 Ce2 Se3 69.51(3) 1_565 5_756
Se2 Ce2 Se5 68.41(2) 2_644 2_654
Se2 Ce2 Se5 68.41(2) 2_654 2_654
Se1 Ce2 Se5 70.63(2) 5_756 2_654
Se1 Ce2 Se5 70.63(2) 5_766 2_654
Se3 Ce2 Se5 136.041(18) . 2_654
Se3 Ce2 Se5 136.041(18) 1_565 2_654
Se3 Ce2 Se5 135.21(3) 5_756 2_654
Se2 Ce2 Cu1 38.99(6) 2_644 .
Se2 Ce2 Cu1 87.78(5) 2_654 .
Se1 Ce2 Cu1 104.50(3) 5_756 .
Se1 Ce2 Cu1 168.76(5) 5_766 .
Se3 Ce2 Cu1 43.15(6) . .
Se3 Ce2 Cu1 89.06(5) 1_565 .
Se3 Ce2 Cu1 111.85(6) 5_756 .
Se5 Ce2 Cu1 105.41(6) 2_654 .
Se2 Ce2 Cu1 87.78(5) 2_644 1_565
Se2 Ce2 Cu1 38.99(6) 2_654 1_565
Se1 Ce2 Cu1 168.76(5) 5_756 1_565
Se1 Ce2 Cu1 104.50(3) 5_766 1_565
Se3 Ce2 Cu1 89.06(5) . 1_565
Se3 Ce2 Cu1 43.15(6) 1_565 1_565
Se3 Ce2 Cu1 111.85(6) 5_756 1_565
Se5 Ce2 Cu1 105.41(6) 2_654 1_565
Cu1 Ce2 Cu1 65.91(6) . 1_565
Se2 Ce2 Ce2 132.753(15) 2_644 1_565
Se2 Ce2 Ce2 47.248(15) 2_654 1_565
Se1 Ce2 Ce2 132.178(14) 5_756 1_565
Se1 Ce2 Ce2 47.821(14) 5_766 1_565
Se3 Ce2 Ce2 130.957(14) . 1_565
Se3 Ce2 Ce2 49.043(14) 1_565 1_565
Se3 Ce2 Ce2 90.0 5_756 1_565
Se5 Ce2 Ce2 90.0 2_654 1_565
Cu1 Ce2 Ce2 122.96(3) . 1_565
Cu1 Ce2 Ce2 57.05(3) 1_565 1_565
Se2 Ce2 Ce2 47.248(15) 2_644 1_545
Se2 Ce2 Ce2 132.753(15) 2_654 1_545
Se1 Ce2 Ce2 47.821(14) 5_756 1_545
Se1 Ce2 Ce2 132.178(14) 5_766 1_545
Se3 Ce2 Ce2 49.043(14) . 1_545
Se3 Ce2 Ce2 130.956(14) 1_565 1_545
Se3 Ce2 Ce2 90.0 5_756 1_545
Se5 Ce2 Ce2 90.0 2_654 1_545
Cu1 Ce2 Ce2 57.04(3) . 1_545
Cu1 Ce2 Ce2 122.96(3) 1_565 1_545
Ce2 Ce2 Ce2 180.00(3) 1_565 1_545
Se5 Yb1 Se5 95.54(3) 1_565 .
Se5 Yb1 Se4 88.11(3) 1_565 .
Se5 Yb1 Se4 88.11(3) . .
Se5 Yb1 Se1 90.76(3) 1_565 .
Se5 Yb1 Se1 90.76(3) . .
Se4 Yb1 Se1 178.33(4) . .
Se5 Yb1 Se3 175.70(3) 1_565 .
Se5 Yb1 Se3 87.38(2) . .
Se4 Yb1 Se3 95.15(3) . .
Se1 Yb1 Se3 86.03(3) . .
Se5 Yb1 Se3 87.38(2) 1_565 1_565
Se5 Yb1 Se3 175.70(3) . 1_565
Se4 Yb1 Se3 95.15(3) . 1_565
Se1 Yb1 Se3 86.03(3) . 1_565
Se3 Yb1 Se3 89.54(3) . 1_565
Se5 Yb1 Cu1 134.57(7) 1_565 .
Se5 Yb1 Cu1 77.28(5) . .
Se4 Yb1 Cu1 47.37(6) . .
Se1 Yb1 Cu1 133.51(6) . .
Se3 Yb1 Cu1 49.18(7) . .
Se3 Yb1 Cu1 102.90(6) 1_565 .
Se5 Yb1 Cu1 77.28(5) 1_565 1_565
Se5 Yb1 Cu1 134.57(7) . 1_565
Se4 Yb1 Cu1 47.36(6) . 1_565
Se1 Yb1 Cu1 133.51(6) . 1_565
Se3 Yb1 Cu1 102.90(6) . 1_565
Se3 Yb1 Cu1 49.18(7) 1_565 1_565
Cu1 Yb1 Cu1 77.01(9) . 1_565
Se5 Yb1 Yb1 137.769(17) 1_565 1_545
Se5 Yb1 Yb1 42.233(17) . 1_545
Se4 Yb1 Yb1 90.0 . 1_545
Se1 Yb1 Yb1 90.0 . 1_545
Se3 Yb1 Yb1 45.228(16) . 1_545
Se3 Yb1 Yb1 134.771(16) 1_565 1_545
Cu1 Yb1 Yb1 51.50(4) . 1_545
Cu1 Yb1 Yb1 128.50(4) 1_565 1_545
Se5 Yb1 Yb1 42.232(17) 1_565 1_565
Se5 Yb1 Yb1 137.768(17) . 1_565
Se4 Yb1 Yb1 90.0 . 1_565
Se1 Yb1 Yb1 90.0 . 1_565
Se3 Yb1 Yb1 134.771(16) . 1_565
Se3 Yb1 Yb1 45.228(16) 1_565 1_565
Cu1 Yb1 Yb1 128.50(4) . 1_565
Cu1 Yb1 Yb1 51.50(4) 1_565 1_565
Yb1 Yb1 Yb1 179.998(13) 1_545 1_565
Se5 Yb1 Cu2 122.08(4) 1_565 .
Se5 Yb1 Cu2 78.00(3) . .
Se4 Yb1 Cu2 34.94(3) . .
Se1 Yb1 Cu2 145.86(3) . .
Se3 Yb1 Cu2 61.59(3) . .
Se3 Yb1 Cu2 103.14(3) 1_565 .
Cu1 Yb1 Cu2 12.56(7) . .
Cu1 Yb1 Cu2 69.23(5) 1_565 .
Yb1 Yb1 Cu2 60.062(17) 1_545 .
Yb1 Yb1 Cu2 119.937(17) 1_565 .
Se5 Yb1 Cu2 78.00(3) 1_565 1_565
Se5 Yb1 Cu2 122.08(4) . 1_565
Se4 Yb1 Cu2 34.94(3) . 1_565
Se1 Yb1 Cu2 145.86(3) . 1_565
Se3 Yb1 Cu2 103.13(3) . 1_565
Se3 Yb1 Cu2 61.59(3) 1_565 1_565
Cu1 Yb1 Cu2 69.23(5) . 1_565
Cu1 Yb1 Cu2 12.56(7) 1_565 1_565
Yb1 Yb1 Cu2 119.937(17) 1_545 1_565
Yb1 Yb1 Cu2 60.062(17) 1_565 1_565
Cu2 Yb1 Cu2 59.87(3) . 1_565
Cu2 Cu1 Se2 78.3(2) . 2_644
Cu2 Cu1 Se4 73.87(13) . 1_545
Se2 Cu1 Se4 115.09(10) 2_644 1_545
Cu2 Cu1 Se4 73.87(13) . .
Se2 Cu1 Se4 115.09(10) 2_644 .
Se4 Cu1 Se4 111.39(15) 1_545 .
Cu2 Cu1 Se3 169.9(3) . .
Se2 Cu1 Se3 91.59(13) 2_644 .
Se4 Cu1 Se3 111.07(11) 1_545 .
Se4 Cu1 Se3 111.06(11) . .
Cu2 Cu1 Yb1 128.73(16) . 1_545
Se2 Cu1 Yb1 125.94(10) 2_644 1_545
Se4 Cu1 Yb1 55.19(6) 1_545 1_545
Se4 Cu1 Yb1 117.23(13) . 1_545
Se3 Cu1 Yb1 57.75(7) . 1_545
Cu2 Cu1 Yb1 128.73(16) . .
Se2 Cu1 Yb1 125.94(10) 2_644 .
Se4 Cu1 Yb1 117.23(13) 1_545 .
Se4 Cu1 Yb1 55.18(6) . .
Se3 Cu1 Yb1 57.75(7) . .
Yb1 Cu1 Yb1 77.01(9) 1_545 .
Cu2 Cu1 Ce1 64.1(2) . 6_557
Se2 Cu1 Ce1 142.39(16) 2_644 6_557
Se4 Cu1 Ce1 55.77(7) 1_545 6_557
Se4 Cu1 Ce1 55.77(7) . 6_557
Se3 Cu1 Ce1 126.01(13) . 6_557
Yb1 Cu1 Ce1 81.42(7) 1_545 6_557
Yb1 Cu1 Ce1 81.42(7) . 6_557
Cu2 Cu1 Se4 12.49(17) . 5_656
Se2 Cu1 Se4 65.83(10) 2_644 5_656
Se4 Cu1 Se4 80.49(10) 1_545 5_656
Se4 Cu1 Se4 80.49(10) . 5_656
Se3 Cu1 Se4 157.43(14) . 5_656
Yb1 Cu1 Se4 135.44(7) 1_545 5_656
Yb1 Cu1 Se4 135.44(7) . 5_656
Ce1 Cu1 Se4 76.56(8) 6_557 5_656
Cu2 Cu1 Ce2 117.01(19) . .
Se2 Cu1 Ce2 53.20(6) 2_644 .
Se4 Cu1 Ce2 157.15(11) 1_545 .
Se4 Cu1 Ce2 91.31(5) . .
Se3 Cu1 Ce2 55.20(6) . .
Yb1 Cu1 Ce2 112.71(11) 1_545 .
Yb1 Cu1 Ce2 73.07(6) . .
Ce1 Cu1 Ce2 146.42(4) 6_557 .
Se4 Cu1 Ce2 106.91(8) 5_656 .
Cu2 Cu1 Ce2 117.01(19) . 1_545
Se2 Cu1 Ce2 53.20(6) 2_644 1_545
Se4 Cu1 Ce2 91.31(5) 1_545 1_545
Se4 Cu1 Ce2 157.15(11) . 1_545
Se3 Cu1 Ce2 55.20(6) . 1_545
Yb1 Cu1 Ce2 73.07(6) 1_545 1_545
Yb1 Cu1 Ce2 112.71(11) . 1_545
Ce1 Cu1 Ce2 146.42(4) 6_557 1_545
Se4 Cu1 Ce2 106.91(8) 5_656 1_545
Ce2 Cu1 Ce2 65.91(6) . 1_545
Cu2 Cu1 Cu2 33.67(6) . 5_646
Se2 Cu1 Cu2 86.60(11) 2_644 5_646
Se4 Cu1 Cu2 42.73(7) 1_545 5_646
Se4 Cu1 Cu2 99.37(12) . 5_646
Se3 Cu1 Cu2 147.02(4) . 5_646
Yb1 Cu1 Cu2 97.48(5) 1_545 5_646
Yb1 Cu1 Cu2 143.75(12) . 5_646
Ce1 Cu1 Cu2 62.35(7) 6_557 5_646
Se4 Cu1 Cu2 37.96(5) 5_656 5_646
Ce2 Cu1 Cu2 138.77(11) . 5_646
Ce2 Cu1 Cu2 99.27(5) 1_545 5_646
Cu2 Cu1 Cu2 33.67(5) . 5_656
Se2 Cu1 Cu2 86.60(11) 2_644 5_656
Se4 Cu1 Cu2 99.37(12) 1_545 5_656
Se4 Cu1 Cu2 42.73(7) . 5_656
Se3 Cu1 Cu2 147.02(4) . 5_656
Yb1 Cu1 Cu2 143.75(12) 1_545 5_656
Yb1 Cu1 Cu2 97.48(5) . 5_656
Ce1 Cu1 Cu2 62.35(7) 6_557 5_656
Se4 Cu1 Cu2 37.96(5) 5_656 5_656
Ce2 Cu1 Cu2 99.27(5) . 5_656
Ce2 Cu1 Cu2 138.77(11) 1_545 5_656
Cu2 Cu1 Cu2 65.80(8) 5_646 5_656
Cu2 Cu1 Se5 117.3(2) . .
Se2 Cu1 Se5 164.35(16) 2_644 .
Se4 Cu1 Se5 72.06(9) 1_545 .
Se4 Cu1 Se5 72.05(9) . .
Se3 Cu1 Se5 72.76(9) . .
Yb1 Cu1 Se5 45.19(5) 1_545 .
Yb1 Cu1 Se5 45.18(5) . .
Ce1 Cu1 Se5 53.25(5) 6_557 .
Se4 Cu1 Se5 129.82(11) 5_656 .
Ce2 Cu1 Se5 114.73(9) . .
Ce2 Cu1 Se5 114.72(9) 1_545 .
Cu2 Cu1 Se5 106.44(9) 5_646 .
Cu2 Cu1 Se5 106.44(9) 5_656 .
Cu2 Cu1 Cu1 90.000(1) . 1_565
Se2 Cu1 Cu1 90.000(1) 2_644 1_565
Se4 Cu1 Cu1 145.69(7) 1_545 1_565
Se4 Cu1 Cu1 34.31(7) . 1_565
Se3 Cu1 Cu1 90.0 . 1_565
Yb1 Cu1 Cu1 128.50(4) 1_545 1_565
Yb1 Cu1 Cu1 51.50(4) . 1_565
Ce1 Cu1 Cu1 90.0 6_557 1_565
Se4 Cu1 Cu1 90.0 5_656 1_565
Ce2 Cu1 Cu1 57.04(3) . 1_565
Ce2 Cu1 Cu1 122.96(3) 1_545 1_565
Cu2 Cu1 Cu1 122.90(4) 5_646 1_565
Cu2 Cu1 Cu1 57.10(4) 5_656 1_565
Se5 Cu1 Cu1 90.0 . 1_565
Cu2 Cu1 Cu1 90.000(1) . 1_545
Se2 Cu1 Cu1 90.0 2_644 1_545
Se4 Cu1 Cu1 34.31(7) 1_545 1_545
Se4 Cu1 Cu1 145.69(7) . 1_545
Se3 Cu1 Cu1 90.0 . 1_545
Yb1 Cu1 Cu1 51.50(4) 1_545 1_545
Yb1 Cu1 Cu1 128.50(4) . 1_545
Ce1 Cu1 Cu1 90.0 6_557 1_545
Se4 Cu1 Cu1 90.0 5_656 1_545
Ce2 Cu1 Cu1 122.96(3) . 1_545
Ce2 Cu1 Cu1 57.05(3) 1_545 1_545
Cu2 Cu1 Cu1 57.10(4) 5_646 1_545
Cu2 Cu1 Cu1 122.90(4) 5_656 1_545
Se5 Cu1 Cu1 90.0 . 1_545
Cu1 Cu1 Cu1 179.999(1) 1_565 1_545
Cu1 Cu2 Se2 74.0(2) . 2_644
Cu1 Cu2 Se4 79.18(12) . 1_545
Se2 Cu2 Se4 115.49(6) 2_644 1_545
Cu1 Cu2 Se4 79.18(12) . .
Se2 Cu2 Se4 115.49(6) 2_644 .
Se4 Cu2 Se4 115.26(10) 1_545 .
Cu1 Cu2 Se4 162.0(2) . 5_656
Se2 Cu2 Se4 87.97(8) 2_644 5_656
Se4 Cu2 Se4 109.48(7) 1_545 5_656
Se4 Cu2 Se4 109.48(7) . 5_656
Cu1 Cu2 Cu2 133.64(9) . 5_646
Se2 Cu2 Cu2 109.25(10) 2_644 5_646
Se4 Cu2 Cu2 57.17(4) 1_545 5_646
Se4 Cu2 Cu2 130.95(13) . 5_646
Se4 Cu2 Cu2 52.31(8) 5_656 5_646
Cu1 Cu2 Cu2 133.64(9) . 5_656
Se2 Cu2 Cu2 109.25(10) 2_644 5_656
Se4 Cu2 Cu2 130.95(13) 1_545 5_656
Se4 Cu2 Cu2 57.18(4) . 5_656
Se4 Cu2 Cu2 52.31(8) 5_656 5_656
Cu2 Cu2 Cu2 90.30(14) 5_646 5_656
Cu1 Cu2 Ce1 97.9(2) . 6_557
Se2 Cu2 Ce1 171.95(10) 2_644 6_557
Se4 Cu2 Ce1 61.92(5) 1_545 6_557
Se4 Cu2 Ce1 61.92(5) . 6_557
Se4 Cu2 Ce1 100.08(8) 5_656 6_557
Cu2 Cu2 Ce1 76.17(8) 5_646 6_557
Cu2 Cu2 Ce1 76.17(8) 5_656 6_557
Cu1 Cu2 Se3 7.0(2) . .
Se2 Cu2 Se3 67.02(6) 2_644 .
Se4 Cu2 Se3 82.81(6) 1_545 .
Se4 Cu2 Se3 82.81(6) . .
Se4 Cu2 Se3 154.99(8) 5_656 .
Cu2 Cu2 Se3 134.64(7) 5_646 .
Cu2 Cu2 Se3 134.64(7) 5_656 .
Ce1 Cu2 Se3 104.93(6) 6_557 .
Cu1 Cu2 Cu1 146.33(6) . 5_646
Se2 Cu2 Cu1 109.64(9) 2_644 5_646
Se4 Cu2 Cu1 69.00(6) 1_545 5_646
Se4 Cu2 Cu1 124.00(9) . 5_646
Se4 Cu2 Cu1 40.80(6) 5_656 5_646
Cu2 Cu2 Cu1 12.69(6) 5_646 5_646
Cu2 Cu2 Cu1 78.14(10) 5_656 5_646
Ce1 Cu2 Cu1 77.00(7) 6_557 5_646
Se3 Cu2 Cu1 147.10(4) . 5_646
Cu1 Cu2 Cu1 146.33(6) . 5_656
Se2 Cu2 Cu1 109.64(9) 2_644 5_656
Se4 Cu2 Cu1 124.00(9) 1_545 5_656
Se4 Cu2 Cu1 69.00(6) . 5_656
Se4 Cu2 Cu1 40.80(6) 5_656 5_656
Cu2 Cu2 Cu1 78.14(10) 5_646 5_656
Cu2 Cu2 Cu1 12.69(6) 5_656 5_656
Ce1 Cu2 Cu1 77.00(7) 6_557 5_656
Se3 Cu2 Cu1 147.10(4) . 5_656
Cu1 Cu2 Cu1 65.80(8) 5_646 5_656
Cu1 Cu2 Ce1 113.49(18) . 2_644
Se2 Cu2 Ce1 52.51(4) 2_644 2_644
Se4 Cu2 Ce1 90.02(4) 1_545 2_644
Se4 Cu2 Ce1 153.98(7) . 2_644
Se4 Cu2 Ce1 52.41(4) 5_656 2_644
Cu2 Cu2 Ce1 57.08(7) 5_646 2_644
Cu2 Cu2 Ce1 102.16(10) 5_656 2_644
Ce1 Cu2 Ce1 133.24(5) 6_557 2_644
Se3 Cu2 Ce1 107.73(5) . 2_644
Cu1 Cu2 Ce1 57.49(6) 5_646 2_644
Cu1 Cu2 Ce1 92.31(7) 5_656 2_644
Cu1 Cu2 Ce1 113.49(18) . 2_654
Se2 Cu2 Ce1 52.51(4) 2_644 2_654
Se4 Cu2 Ce1 153.98(7) 1_545 2_654
Se4 Cu2 Ce1 90.02(4) . 2_654
Se4 Cu2 Ce1 52.41(4) 5_656 2_654
Cu2 Cu2 Ce1 102.16(10) 5_646 2_654
Cu2 Cu2 Ce1 57.08(7) 5_656 2_654
Ce1 Cu2 Ce1 133.24(5) 6_557 2_654
Se3 Cu2 Ce1 107.73(5) . 2_654
Cu1 Cu2 Ce1 92.31(7) 5_646 2_654
Cu1 Cu2 Ce1 57.49(6) 5_656 2_654
Ce1 Cu2 Ce1 64.26(4) 2_644 2_654
Cu1 Cu2 Cu2 90.000(1) . 1_565
Se2 Cu2 Cu2 90.0 2_644 1_565
Se4 Cu2 Cu2 147.63(5) 1_545 1_565
Se4 Cu2 Cu2 32.37(5) . 1_565
Se4 Cu2 Cu2 90.0 5_656 1_565
Cu2 Cu2 Cu2 135.15(7) 5_646 1_565
Cu2 Cu2 Cu2 44.85(7) 5_656 1_565
Ce1 Cu2 Cu2 90.0 6_557 1_565
Se3 Cu2 Cu2 90.0 . 1_565
Cu1 Cu2 Cu2 122.90(4) 5_646 1_565
Cu1 Cu2 Cu2 57.10(4) 5_656 1_565
Ce1 Cu2 Cu2 122.130(18) 2_644 1_565
Ce1 Cu2 Cu2 57.869(18) 2_654 1_565
Cu1 Cu2 Cu2 90.000(1) . 1_545
Se2 Cu2 Cu2 90.0 2_644 1_545
Se4 Cu2 Cu2 32.37(5) 1_545 1_545
Se4 Cu2 Cu2 147.63(5) . 1_545
Se4 Cu2 Cu2 90.0 5_656 1_545
Cu2 Cu2 Cu2 44.85(7) 5_646 1_545
Cu2 Cu2 Cu2 135.15(7) 5_656 1_545
Ce1 Cu2 Cu2 90.0 6_557 1_545
Se3 Cu2 Cu2 90.0 . 1_545
Cu1 Cu2 Cu2 57.10(4) 5_646 1_545
Cu1 Cu2 Cu2 122.90(4) 5_656 1_545
Ce1 Cu2 Cu2 57.869(18) 2_644 1_545
Ce1 Cu2 Cu2 122.130(18) 2_654 1_545
Cu2 Cu2 Cu2 180.00(14) 1_565 1_545
Cu1 Cu2 Yb1 38.71(12) . 1_545
Se2 Cu2 Yb1 98.48(7) 2_644 1_545
Se4 Cu2 Yb1 40.80(4) 1_545 1_545
Se4 Cu2 Yb1 94.93(7) . 1_545
Se4 Cu2 Yb1 149.16(3) 5_656 1_545
Cu2 Cu2 Yb1 97.47(6) 5_646 1_545
Cu2 Cu2 Yb1 146.88(11) 5_656 1_545
Ce1 Cu2 Yb1 74.59(4) 6_557 1_545
Se3 Cu2 Yb1 43.24(3) . 1_545
Cu1 Cu2 Yb1 109.66(5) 5_646 1_545
Cu1 Cu2 Yb1 151.47(8) 5_656 1_545
Ce1 Cu2 Yb1 109.10(3) 2_644 1_545
Ce1 Cu2 Yb1 149.09(7) 2_654 1_545
Cu2 Cu2 Yb1 119.938(17) 1_565 1_545
Cu2 Cu2 Yb1 60.063(17) 1_545 1_545
Yb1 Se1 Ce1 98.79(3) . 1_565
Yb1 Se1 Ce1 98.79(3) . .
Ce1 Se1 Ce1 84.61(3) 1_565 .
Yb1 Se1 Ce2 101.87(3) . 5_756
Ce1 Se1 Ce2 159.33(4) 1_565 5_756
Ce1 Se1 Ce2 91.818(14) . 5_756
Yb1 Se1 Ce2 101.87(3) . 5_766
Ce1 Se1 Ce2 91.818(14) 1_565 5_766
Ce1 Se1 Ce2 159.33(4) . 5_766
Ce2 Se1 Ce2 84.36(3) 5_756 5_766
Yb1 Se1 Cu1 110.86(5) . 5_756
Ce1 Se1 Cu1 128.44(3) 1_565 5_756
Ce1 Se1 Cu1 128.44(3) . 5_756
Ce2 Se1 Cu1 42.395(15) 5_756 5_756
Ce2 Se1 Cu1 42.395(15) 5_766 5_756
Yb1 Se1 Cu2 101.19(4) . 2_655
Ce1 Se1 Cu2 42.312(14) 1_565 2_655
Ce1 Se1 Cu2 42.311(14) . 2_655
Ce2 Se1 Cu2 131.18(2) 5_756 2_655
Ce2 Se1 Cu2 131.18(2) 5_766 2_655
Cu1 Se1 Cu2 147.96(5) 5_756 2_655
Yb1 Se1 Cu1 25.30(3) . .
Ce1 Se1 Cu1 122.94(4) 1_565 .
Ce1 Se1 Cu1 92.86(3) . .
Ce2 Se1 Cu1 77.50(4) 5_756 .
Ce2 Se1 Cu1 106.04(4) 5_766 .
Cu1 Se1 Cu1 96.72(6) 5_756 .
Cu2 Se1 Cu1 112.98(5) 2_655 .
Yb1 Se1 Cu1 25.30(3) . 1_565
Ce1 Se1 Cu1 92.86(3) 1_565 1_565
Ce1 Se1 Cu1 122.94(4) . 1_565
Ce2 Se1 Cu1 106.04(4) 5_756 1_565
Ce2 Se1 Cu1 77.50(4) 5_766 1_565
Cu1 Se1 Cu1 96.72(6) 5_756 1_565
Cu2 Se1 Cu1 112.98(5) 2_655 1_565
Cu1 Se1 Cu1 43.05(3) . 1_565
Yb1 Se1 Cu2 120.35(4) . 6_667
Ce1 Se1 Cu2 27.56(2) 1_565 6_667
Ce1 Se1 Cu2 66.17(2) . 6_667
Ce2 Se1 Cu2 134.07(3) 5_756 6_667
Ce2 Se1 Cu2 102.37(2) 5_766 6_667
Cu1 Se1 Cu2 123.62(5) 5_756 6_667
Cu2 Se1 Cu2 29.76(4) 2_655 6_667
Cu1 Se1 Cu2 139.50(5) . 6_667
Cu1 Se1 Cu2 119.83(4) 1_565 6_667
Yb1 Se1 Cu2 120.35(4) . 6_657
Ce1 Se1 Cu2 66.17(2) 1_565 6_657
Ce1 Se1 Cu2 27.56(2) . 6_657
Ce2 Se1 Cu2 102.37(2) 5_756 6_657
Ce2 Se1 Cu2 134.07(3) 5_766 6_657
Cu1 Se1 Cu2 123.62(5) 5_756 6_657
Cu2 Se1 Cu2 29.76(4) 2_655 6_657
Cu1 Se1 Cu2 119.83(4) . 6_657
Cu1 Se1 Cu2 139.50(5) 1_565 6_657
Cu2 Se1 Cu2 42.006(17) 6_667 6_657
Yb1 Se1 Cu1 131.38(5) . 6_667
Ce1 Se1 Cu1 34.99(3) 1_565 6_667
Ce1 Se1 Cu1 70.30(3) . 6_667
Ce2 Se1 Cu1 125.02(4) 5_756 6_667
Ce2 Se1 Cu1 95.33(3) 5_766 6_667
Cu1 Se1 Cu1 112.38(2) 5_756 6_667
Cu2 Se1 Cu1 39.19(4) 2_655 6_667
Cu1 Se1 Cu1 150.88(7) . 6_667
Cu1 Se1 Cu1 127.64(4) 1_565 6_667
Cu2 Se1 Cu1 11.49(5) 6_667 6_667
Cu2 Se1 Cu1 43.68(2) 6_657 6_667
Cu1 Se2 Cu2 27.65(11) 2_645 2_645
Cu1 Se2 Ce2 87.81(8) 2_645 2_645
Cu2 Se2 Ce2 107.85(5) 2_645 2_645
Cu1 Se2 Ce2 87.81(8) 2_645 2_655
Cu2 Se2 Ce2 107.85(5) 2_645 2_655
Ce2 Se2 Ce2 85.51(3) 2_645 2_655
Cu1 Se2 Ce1 108.89(8) 2_645 .
Cu2 Se2 Ce1 88.67(5) 2_645 .
Ce2 Se2 Ce1 163.15(4) 2_645 .
Ce2 Se2 Ce1 92.711(14) 2_655 .
Cu1 Se2 Ce1 108.89(8) 2_645 1_545
Cu2 Se2 Ce1 88.67(5) 2_645 1_545
Ce2 Se2 Ce1 92.710(14) 2_645 1_545
Ce2 Se2 Ce1 163.15(4) 2_655 1_545
Ce1 Se2 Ce1 84.15(3) . 1_545
Cu1 Se2 Cu2 60.30(9) 2_645 6_657
Cu2 Se2 Cu2 39.01(6) 2_645 6_657
Ce2 Se2 Cu2 146.76(4) 2_645 6_657
Ce2 Se2 Cu2 101.22(3) 2_655 6_657
Ce1 Se2 Cu2 49.97(3) . 6_657
Ce1 Se2 Cu2 89.45(3) 1_545 6_657
Cu1 Se2 Cu2 60.30(9) 2_645 6_647
Cu2 Se2 Cu2 39.01(6) 2_645 6_647
Ce2 Se2 Cu2 101.22(3) 2_645 6_647
Ce2 Se2 Cu2 146.76(4) 2_655 6_647
Ce1 Se2 Cu2 89.44(3) . 6_647
Ce1 Se2 Cu2 49.97(3) 1_545 6_647
Cu2 Se2 Cu2 56.41(3) 6_657 6_647
Cu1 Se2 Cu1 59.94(4) 2_645 2_655
Cu2 Se2 Cu1 63.66(4) 2_645 2_655
Ce2 Se2 Cu1 124.64(6) 2_645 2_655
Ce2 Se2 Cu1 52.65(5) 2_655 2_655
Ce1 Se2 Cu1 65.30(5) . 2_655
Ce1 Se2 Cu1 137.91(6) 1_545 2_655
Cu2 Se2 Cu1 48.91(5) 6_657 2_655
Cu2 Se2 Cu1 99.26(5) 6_647 2_655
Cu1 Se2 Cu1 59.94(4) 2_645 2_635
Cu2 Se2 Cu1 63.66(4) 2_645 2_635
Ce2 Se2 Cu1 52.65(5) 2_645 2_635
Ce2 Se2 Cu1 124.64(6) 2_655 2_635
Ce1 Se2 Cu1 137.91(6) . 2_635
Ce1 Se2 Cu1 65.30(5) 1_545 2_635
Cu2 Se2 Cu1 99.26(5) 6_657 2_635
Cu2 Se2 Cu1 48.91(5) 6_647 2_635
Cu1 Se2 Cu1 119.88(8) 2_655 2_635
Cu1 Se2 Cu2 63.27(4) 2_645 2_655
Cu2 Se2 Cu2 59.48(3) 2_645 2_655
Ce2 Se2 Cu2 137.77(4) 2_645 2_655
Ce2 Se2 Cu2 64.58(3) 2_655 2_655
Ce1 Se2 Cu2 53.91(3) . 2_655
Ce1 Se2 Cu2 124.44(4) 1_545 2_655
Cu2 Se2 Cu2 36.70(5) 6_657 2_655
Cu2 Se2 Cu2 90.72(2) 6_647 2_655
Cu1 Se2 Cu2 13.85(6) 2_655 2_655
Cu1 Se2 Cu2 121.35(5) 2_635 2_655
Cu1 Se2 Cu2 63.27(4) 2_645 2_635
Cu2 Se2 Cu2 59.48(2) 2_645 2_635
Ce2 Se2 Cu2 64.58(3) 2_645 2_635
Ce2 Se2 Cu2 137.77(4) 2_655 2_635
Ce1 Se2 Cu2 124.44(4) . 2_635
Ce1 Se2 Cu2 53.91(3) 1_545 2_635
Cu2 Se2 Cu2 90.72(2) 6_657 2_635
Cu2 Se2 Cu2 36.70(5) 6_647 2_635
Cu1 Se2 Cu2 121.35(5) 2_655 2_635
Cu1 Se2 Cu2 13.85(6) 2_635 2_635
Cu2 Se2 Cu2 118.96(5) 2_655 2_635
Cu1 Se3 Yb1 73.07(6) . 1_545
Cu1 Se3 Yb1 73.08(6) . .
Yb1 Se3 Yb1 89.54(3) 1_545 .
Cu1 Se3 Ce2 81.66(7) . 1_545
Yb1 Se3 Ce2 88.623(15) 1_545 1_545
Yb1 Se3 Ce2 154.06(4) . 1_545
Cu1 Se3 Ce2 81.66(7) . .
Yb1 Se3 Ce2 154.06(4) 1_545 .
Yb1 Se3 Ce2 88.624(15) . .
Ce2 Se3 Ce2 81.91(3) 1_545 .
Cu1 Se3 Ce2 163.47(9) . 5_756
Yb1 Se3 Ce2 95.44(3) 1_545 5_756
Yb1 Se3 Ce2 95.44(3) . 5_756
Ce2 Se3 Ce2 110.49(3) 1_545 5_756
Ce2 Se3 Ce2 110.49(3) . 5_756
Cu1 Se3 Cu2 3.08(9) . .
Yb1 Se3 Cu2 75.17(3) 1_545 .
Yb1 Se3 Cu2 75.17(3) . .
Ce2 Se3 Cu2 79.36(3) 1_545 .
Ce2 Se3 Cu2 79.36(3) . .
Ce2 Se3 Cu2 166.55(5) 5_756 .
Cu1 Se3 Cu1 57.57(4) . 1_545
Yb1 Se3 Cu1 41.36(5) 1_545 1_545
Yb1 Se3 Cu1 116.00(5) . 1_545
Ce2 Se3 Cu1 50.87(4) 1_545 1_545
Ce2 Se3 Cu1 118.39(5) . 1_545
Ce2 Se3 Cu1 120.93(4) 5_756 1_545
Cu2 Se3 Cu1 57.63(4) . 1_545
Cu1 Se3 Cu1 57.57(4) . 1_565
Yb1 Se3 Cu1 116.00(5) 1_545 1_565
Yb1 Se3 Cu1 41.36(5) . 1_565
Ce2 Se3 Cu1 118.39(5) 1_545 1_565
Ce2 Se3 Cu1 50.87(4) . 1_565
Ce2 Se3 Cu1 120.93(4) 5_756 1_565
Cu2 Se3 Cu1 57.63(4) . 1_565
Cu1 Se3 Cu1 115.15(8) 1_545 1_565
Cu1 Se3 Cu2 47.72(2) . 1_545
Yb1 Se3 Cu2 46.14(3) 1_545 1_545
Yb1 Se3 Cu2 110.37(3) . 1_545
Ce2 Se3 Cu2 52.50(3) 1_545 1_545
Ce2 Se3 Cu2 111.10(3) . 1_545
Ce2 Se3 Cu2 130.94(2) 5_756 1_545
Cu2 Se3 Cu2 47.65(2) . 1_545
Cu1 Se3 Cu2 10.10(5) 1_545 1_545
Cu1 Se3 Cu2 105.25(5) 1_565 1_545
Cu1 Se3 Cu2 47.72(2) . 1_565
Yb1 Se3 Cu2 110.37(3) 1_545 1_565
Yb1 Se3 Cu2 46.14(3) . 1_565
Ce2 Se3 Cu2 111.10(3) 1_545 1_565
Ce2 Se3 Cu2 52.50(3) . 1_565
Ce2 Se3 Cu2 130.94(2) 5_756 1_565
Cu2 Se3 Cu2 47.65(2) . 1_565
Cu1 Se3 Cu2 105.25(5) 1_545 1_565
Cu1 Se3 Cu2 10.10(5) 1_565 1_565
Cu2 Se3 Cu2 95.29(4) 1_545 1_565
Cu1 Se3 Cu1 154.60(4) . 5_756
Yb1 Se3 Cu1 132.00(4) 1_545 5_756
Yb1 Se3 Cu1 99.82(3) . 5_756
Ce2 Se3 Cu1 100.57(4) 1_545 5_756
Ce2 Se3 Cu1 73.71(4) . 5_756
Ce2 Se3 Cu1 37.15(4) 5_756 5_756
Cu2 Se3 Cu1 152.75(4) . 5_756
Cu1 Se3 Cu1 141.55(3) 1_545 5_756
Cu1 Se3 Cu1 100.70(6) 1_565 5_756
Cu2 Se3 Cu1 149.37(3) 1_545 5_756
Cu2 Se3 Cu1 109.71(3) 1_565 5_756
Cu2 Se4 Cu2 115.25(10) . 1_565
Cu2 Se4 Cu1 120.26(10) . 1_565
Cu2 Se4 Cu1 26.95(11) 1_565 1_565
Cu2 Se4 Cu1 26.96(11) . .
Cu2 Se4 Cu1 120.26(10) 1_565 .
Cu1 Se4 Cu1 111.39(15) 1_565 .
Cu2 Se4 Cu2 70.52(7) . 5_656
Cu2 Se4 Cu2 70.51(7) 1_565 5_656
Cu1 Se4 Cu2 96.47(10) 1_565 5_656
Cu1 Se4 Cu2 96.47(10) . 5_656
Cu2 Se4 Yb1 104.26(6) . .
Cu2 Se4 Yb1 104.26(6) 1_565 .
Cu1 Se4 Yb1 77.45(10) 1_565 .
Cu1 Se4 Yb1 77.45(10) . .
Cu2 Se4 Yb1 168.86(7) 5_656 .
Cu2 Se4 Ce1 148.24(7) . 6_567
Cu2 Se4 Ce1 73.72(5) 1_565 6_567
Cu1 Se4 Ce1 82.16(7) 1_565 6_567
Cu1 Se4 Ce1 165.81(8) . 6_567
Cu2 Se4 Ce1 85.76(5) 5_656 6_567
Yb1 Se4 Ce1 102.44(3) . 6_567
Cu2 Se4 Ce1 73.72(5) . 6_557
Cu2 Se4 Ce1 148.24(7) 1_565 6_557
Cu1 Se4 Ce1 165.81(8) 1_565 6_557
Cu1 Se4 Ce1 82.16(7) . 6_557
Cu2 Se4 Ce1 85.76(5) 5_656 6_557
Yb1 Se4 Ce1 102.44(3) . 6_557
Ce1 Se4 Ce1 84.03(3) 6_567 6_557
Cu2 Se4 Cu1 73.04(7) . 5_656
Cu2 Se4 Cu1 73.03(7) 1_565 5_656
Cu1 Se4 Cu1 99.51(10) 1_565 5_656
Cu1 Se4 Cu1 99.51(10) . 5_656
Cu2 Se4 Cu1 5.51(8) 5_656 5_656
Yb1 Se4 Cu1 174.37(7) . 5_656
Ce1 Se4 Cu1 81.69(5) 6_567 5_656
Ce1 Se4 Cu1 81.69(5) 6_557 5_656
Cu2 Se4 Cu2 26.80(8) . 5_646
Cu2 Se4 Cu2 122.51(4) 1_565 5_646
Cu1 Se4 Cu2 139.40(9) 1_565 5_646
Cu1 Se4 Cu2 50.26(9) . 5_646
Cu2 Se4 Cu2 57.84(3) 5_656 5_646
Yb1 Se4 Cu2 121.48(3) . 5_646
Ce1 Se4 Cu2 121.83(4) 6_567 5_646
Ce1 Se4 Cu2 52.70(3) 6_557 5_646
Cu1 Se4 Cu2 58.01(3) 5_656 5_646
Cu2 Se4 Cu2 122.51(4) . 5_666
Cu2 Se4 Cu2 26.80(8) 1_565 5_666
Cu1 Se4 Cu2 50.26(9) 1_565 5_666
Cu1 Se4 Cu2 139.40(9) . 5_666
Cu2 Se4 Cu2 57.84(3) 5_656 5_666
Yb1 Se4 Cu2 121.48(3) . 5_666
Ce1 Se4 Cu2 52.70(3) 6_567 5_666
Ce1 Se4 Cu2 121.83(4) 6_557 5_666
Cu1 Se4 Cu2 58.01(3) 5_656 5_666
Cu2 Se4 Cu2 115.69(5) 5_646 5_666
Cu2 Se4 Cu1 34.59(7) . 5_646
Cu2 Se4 Cu1 115.67(7) 1_565 5_646
Cu1 Se4 Cu1 136.46(7) 1_565 5_646
Cu1 Se4 Cu1 59.73(12) . 5_646
Cu2 Se4 Cu1 48.30(3) 5_656 5_646
Yb1 Se4 Cu1 131.69(3) . 5_646
Ce1 Se4 Cu1 113.66(4) 6_567 5_646
Ce1 Se4 Cu1 53.52(4) 6_557 5_646
Cu1 Se4 Cu1 48.06(3) 5_656 5_646
Cu2 Se4 Cu1 10.32(4) 5_646 5_646
Cu2 Se4 Cu1 106.00(4) 5_666 5_646
Yb1 Se5 Yb1 95.53(3) . 1_545
Yb1 Se5 Ce2 132.223(17) . 2_655
Yb1 Se5 Ce2 132.224(17) 1_545 2_655
Yb1 Se5 Ce1 93.24(3) . .
Yb1 Se5 Ce1 93.24(3) 1_545 .
Ce2 Se5 Ce1 84.05(3) 2_655 .
Yb1 Se5 Ce1 95.54(3) . 6_557
Yb1 Se5 Ce1 95.54(3) 1_545 6_557
Ce2 Se5 Ce1 82.86(3) 2_655 6_557
Ce1 Se5 Ce1 166.91(3) . 6_557
Yb1 Se5 Cu1 57.53(3) . .
Yb1 Se5 Cu1 57.53(3) 1_545 .
Ce2 Se5 Cu1 144.13(7) 2_655 .
Ce1 Se5 Cu1 131.82(7) . .
Ce1 Se5 Cu1 61.27(6) 6_557 .
Yb1 Se5 Cu2 64.52(3) . .
Yb1 Se5 Cu2 64.52(3) 1_545 .
Ce2 Se5 Cu2 130.91(4) 2_655 .
Ce1 Se5 Cu2 145.03(4) . .
Ce1 Se5 Cu2 48.06(3) 6_557 .
Cu1 Se5 Cu2 13.22(7) . .
Yb1 Se5 Cu1 100.21(4) . 1_545
Yb1 Se5 Cu1 24.79(4) 1_545 1_545
Ce2 Se5 Cu1 123.46(4) 2_655 1_545
Ce1 Se5 Cu1 116.98(4) . 1_545
Ce1 Se5 Cu1 70.91(4) 6_557 1_545
Cu1 Se5 Cu1 47.12(3) . 1_545
Cu2 Se5 Cu1 48.51(3) . 1_545
Yb1 Se5 Cu1 24.79(4) . 1_565
Yb1 Se5 Cu1 100.21(4) 1_545 1_565
Ce2 Se5 Cu1 123.46(4) 2_655 1_565
Ce1 Se5 Cu1 116.98(4) . 1_565
Ce1 Se5 Cu1 70.91(4) 6_557 1_565
Cu1 Se5 Cu1 47.12(3) . 1_565
Cu2 Se5 Cu1 48.51(3) . 1_565
Cu1 Se5 Cu1 94.24(6) 1_545 1_565
Yb1 Se5 Cu1 103.52(3) . 2_655
Yb1 Se5 Cu1 140.85(4) 1_545 2_655
Ce2 Se5 Cu1 40.41(4) 2_655 2_655
Ce1 Se5 Cu1 52.32(4) . 2_655
Ce1 Se5 Cu1 115.87(5) 6_557 2_655
Cu1 Se5 Cu1 158.530(14) . 2_655
Cu2 Se5 Cu1 154.57(3) . 2_655
Cu1 Se5 Cu1 154.33(4) 1_545 2_655
Cu1 Se5 Cu1 111.419(18) 1_565 2_655
Yb1 Se5 Cu1 140.85(4) . 2_645
Yb1 Se5 Cu1 103.52(3) 1_545 2_645
Ce2 Se5 Cu1 40.41(4) 2_655 2_645
Ce1 Se5 Cu1 52.32(4) . 2_645
Ce1 Se5 Cu1 115.87(5) 6_557 2_645
Cu1 Se5 Cu1 158.530(14) . 2_645
Cu2 Se5 Cu1 154.57(3) . 2_645
Cu1 Se5 Cu1 111.419(18) 1_545 2_645
Cu1 Se5 Cu1 154.33(4) 1_565 2_645
Cu1 Se5 Cu1 42.91(3) 2_655 2_645
Yb1 Se5 Cu2 98.31(2) . 2_655
Yb1 Se5 Cu2 132.96(3) 1_545 2_655
Ce2 Se5 Cu2 51.10(3) 2_655 2_655
Ce1 Se5 Cu2 41.42(3) . 2_655
Ce1 Se5 Cu2 127.24(3) 6_557 2_655
Cu1 Se5 Cu2 155.83(3) . 2_655
Cu2 Se5 Cu2 158.690(8) . 2_655
Cu1 Se5 Cu2 152.44(4) 1_545 2_655
Cu1 Se5 Cu2 110.80(3) 1_565 2_655
Cu1 Se5 Cu2 11.67(5) 2_655 2_655
Cu1 Se5 Cu2 44.44(2) 2_645 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 Se1 3.0293(8) 1_545
Ce1 Se1 3.0293(8) .
Ce1 Se2 3.0428(9) 1_565
Ce1 Se2 3.0428(9) .
Ce1 Se4 3.0462(9) 6_657
Ce1 Se4 3.0462(9) 6_647
Ce1 Se5 3.2871(12) .
Ce1 Cu2 3.314(2) 6_657
Ce1 Se5 3.3352(12) 6_657
Ce1 Cu1 3.650(4) 6_657
Ce1 Cu2 3.8337(19) 2_655
Ce1 Cu2 3.8337(19) 2_645
Ce2 Se2 3.0037(8) 2_644
Ce2 Se2 3.0037(8) 2_654
Ce2 Se1 3.0368(8) 5_756
Ce2 Se1 3.0368(8) 5_766
Ce2 Se3 3.1107(9) .
Ce2 Se3 3.1107(9) 1_565
Ce2 Se3 3.1962(12) 5_756
Ce2 Se5 3.2486(12) 2_654
Ce2 Cu1 3.748(3) .
Ce2 Cu1 3.748(3) 1_565
Ce2 Ce2 4.0780(3) 1_565
Ce2 Ce2 4.0780(3) 1_545
Yb1 Se5 2.7538(7) 1_565
Yb1 Se5 2.7538(7) .
Yb1 Se4 2.7547(11) .
Yb1 Se1 2.7696(11) .
Yb1 Se3 2.8951(8) .
Yb1 Se3 2.8951(8) 1_565
Yb1 Cu1 3.275(3) .
Yb1 Cu1 3.275(3) 1_565
Yb1 Yb1 4.0780(3) 1_545
Yb1 Yb1 4.0780(3) 1_565
Yb1 Cu2 4.086(2) .
Yb1 Cu2 4.086(2) 1_565
Cu1 Cu2 1.139(5) .
Cu1 Se2 2.360(4) 2_644
Cu1 Se4 2.468(2) 1_545
Cu1 Se4 2.468(2) .
Cu1 Se3 2.591(4) .
Cu1 Yb1 3.275(3) 1_545
Cu1 Ce1 3.650(4) 6_557
Cu1 Se4 3.664(4) 5_656
Cu1 Ce2 3.748(3) 1_545
Cu1 Cu2 3.754(4) 5_646
Cu1 Cu2 3.754(4) 5_656
Cu1 Se5 3.787(4) .
Cu1 Cu1 4.0780(3) 1_565
Cu1 Cu1 4.0780(3) 1_545
Cu2 Se2 2.404(2) 2_644
Cu2 Se4 2.4142(13) 1_545
Cu2 Se4 2.4142(13) .
Cu2 Se4 2.564(3) 5_656
Cu2 Cu2 2.876(3) 5_646
Cu2 Cu2 2.876(3) 5_656
Cu2 Ce1 3.314(2) 6_557
Cu2 Se3 3.718(3) .
Cu2 Cu1 3.754(4) 5_646
Cu2 Cu1 3.754(4) 5_656
Cu2 Ce1 3.8338(19) 2_644
Cu2 Ce1 3.8338(19) 2_654
Cu2 Cu2 4.0780(3) 1_565
Cu2 Cu2 4.0780(3) 1_545
Cu2 Yb1 4.086(2) 1_545
Se1 Ce1 3.0293(8) 1_565
Se1 Ce2 3.0367(8) 5_756
Se1 Ce2 3.0367(8) 5_766
Se1 Cu1 5.382(4) 5_756
Se1 Cu2 5.487(2) 2_655
Se1 Cu1 5.558(4) 1_565
Se1 Cu2 5.689(2) 6_667
Se1 Cu2 5.689(2) 6_657
Se1 Cu1 5.692(4) 6_667
Se2 Cu1 2.360(4) 2_645
Se2 Cu2 2.404(2) 2_645
Se2 Ce2 3.0037(8) 2_645
Se2 Ce2 3.0037(8) 2_655
Se2 Ce1 3.0428(9) 1_545
Se2 Cu2 4.314(2) 6_657
Se2 Cu2 4.314(2) 6_647
Se2 Cu1 4.7116(19) 2_655
Se2 Cu1 4.7116(19) 2_635
Se2 Cu2 4.7338(12) 2_655
Se2 Cu2 4.7338(12) 2_635
Se3 Yb1 2.8951(8) 1_545
Se3 Ce2 3.1107(9) 1_545
Se3 Ce2 3.1962(12) 5_756
Se3 Cu1 4.831(2) 1_545
Se3 Cu1 4.831(2) 1_565
Se3 Cu2 5.5182(18) 1_545
Se3 Cu2 5.5182(18) 1_565
Se3 Cu1 5.760(4) 5_756
Se4 Cu2 2.4142(13) 1_565
Se4 Cu1 2.468(2) 1_565
Se4 Cu2 2.564(3) 5_656
Se4 Ce1 3.0462(9) 6_567
Se4 Ce1 3.0462(9) 6_557
Se4 Cu1 3.664(4) 5_656
Se4 Cu2 4.8169(14) 5_646
Se4 Cu2 4.8169(14) 5_666
Se4 Cu1 5.482(3) 5_646
Se5 Yb1 2.7539(7) 1_545
Se5 Ce2 3.2485(12) 2_655
Se5 Ce1 3.3353(12) 6_557
Se5 Cu1 5.565(3) 1_545
Se5 Cu1 5.565(3) 1_565
Se5 Cu1 5.574(4) 2_655
Se5 Cu1 5.574(4) 2_645
Se5 Cu2 5.623(2) 2_655
