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#$Date: 2021-05-21 12:41:15 +0300 (Fri, 21 May 2021) $
#$Revision: 265418 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/27/1562796.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.
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data_1562796
loop_
_publ_author_name
'Babo, Jean-Marie'
'Albrecht-Schmitt, Thomas E.'
_publ_section_title
;
 Ce2AgYb5/3Se6, La2CuErTe5, and Ce2CuTmTe5: Three new quaternary
 interlanthanide chalcogenides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              414
_journal_page_last               419
_journal_paper_doi               10.1016/j.jssc.2012.08.024
_journal_volume                  197
_journal_year                    2013
_chemical_formula_moiety         Ce2AgYb5/3Se6
_chemical_formula_sum            'Ag0.67 Br0 Ce1.33 Na0 Se4 Yb1.11'
_chemical_formula_weight         766.65
_chemical_name_common            'cerium silver thullium selenide'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_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            6
_cell_length_a                   12.253(3)
_cell_length_b                   4.0891(10)
_cell_length_c                   21.659(5)
_cell_measurement_temperature    296(2)
_cell_volume                     1085.2(5)
_computing_cell_refinement       'smart saint'
_computing_data_collection       smart
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXCIF-97 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0430
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            5612
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    44.263
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.039
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lath
_exptl_crystal_F_000             1934
_exptl_crystal_size_max          0.055
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.906
_refine_diff_density_min         -1.635
_refine_diff_density_rms         0.406
_refine_ls_extinction_coef       0.00019(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     68
_refine_ls_number_reflns         1421
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0293
_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)+(0.0295P)²+1.1524P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0599
_refine_ls_wR_factor_ref         0.0661
_reflns_number_gt                1112
_reflns_number_total             1421
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2013-197-414.cif
_cod_data_source_block           Ce2AgYb5/3Se6
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               1562796
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.01767(5) 0.2500 0.65589(3) 0.00865(16) Uani 0.91 2 d SP . .
Yb2 Yb 0.12952(7) 0.2500 0.47868(4) 0.0204(2) Uani 0.75 2 d SP . .
Ce1 Ce 0.30074(6) 0.2500 0.30945(3) 0.01006(18) Uani 1 2 d S . .
Ce2 Ce -0.14134(6) -0.2500 0.86659(3) 0.00922(19) Uani 1 2 d S . .
Ag1 Ag -0.42326(12) 0.2500 0.52565(6) 0.0349(4) Uani 1 2 d S . .
Se1 Se -0.04644(11) -0.2500 0.73281(6) 0.0111(3) Uani 1 2 d S . .
Se2 Se -0.18898(10) 0.2500 0.60626(6) 0.0132(3) Uani 1 2 d S . .
Se3 Se 0.08488(11) -0.2500 0.57128(6) 0.0161(3) Uani 1 2 d S . .
Se4 Se 0.22690(10) 0.2500 0.70685(6) 0.0090(3) Uani 1 2 d S . .
Se5 Se 0.46140(10) -0.2500 0.35668(6) 0.0094(3) Uani 1 2 d S . .
Se6 Se 0.33023(12) 0.2500 0.53218(6) 0.0153(3) 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
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'
Br Br -0.2901 2.4595 '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
Se2 Yb1 Se1 88.50(4) . .
Se2 Yb1 Se1 88.50(4) . 1_565
Se1 Yb1 Se1 95.96(5) . 1_565
Se2 Yb1 Se4 179.70(4) . .
Se1 Yb1 Se4 91.30(4) . .
Se1 Yb1 Se4 91.30(4) 1_565 .
Se2 Yb1 Se3 90.84(4) . .
Se1 Yb1 Se3 86.51(3) . .
Se1 Yb1 Se3 177.42(3) 1_565 .
Se4 Yb1 Se3 89.37(4) . .
Se2 Yb1 Se3 90.84(4) . 1_565
Se1 Yb1 Se3 177.42(3) . 1_565
Se1 Yb1 Se3 86.51(3) 1_565 1_565
Se4 Yb1 Se3 89.37(4) . 1_565
Se3 Yb1 Se3 91.01(5) . 1_565
Se2 Yb1 Yb2 45.47(2) . 5_556
Se1 Yb1 Yb2 86.13(3) . 5_556
Se1 Yb1 Yb2 133.93(4) 1_565 5_556
Se4 Yb1 Yb2 134.74(3) . 5_556
Se3 Yb1 Yb2 45.38(3) . 5_556
Se3 Yb1 Yb2 91.63(3) 1_565 5_556
Se2 Yb1 Yb2 45.47(2) . 5_566
Se1 Yb1 Yb2 133.93(4) . 5_566
Se1 Yb1 Yb2 86.13(3) 1_565 5_566
Se4 Yb1 Yb2 134.74(3) . 5_566
Se3 Yb1 Yb2 91.63(3) . 5_566
Se3 Yb1 Yb2 45.38(3) 1_565 5_566
Yb2 Yb1 Yb2 61.63(2) 5_556 5_566
Se2 Yb1 Yb2 86.65(4) . .
Se1 Yb1 Yb2 131.77(2) . .
Se1 Yb1 Yb2 131.77(2) 1_565 .
Se4 Yb1 Yb2 93.65(3) . .
Se3 Yb1 Yb2 45.68(2) . .
Se3 Yb1 Yb2 45.68(2) 1_565 .
Yb2 Yb1 Yb2 57.60(2) 5_556 .
Yb2 Yb1 Yb2 57.60(2) 5_566 .
Se2 Yb1 Yb1 90.0 . 1_545
Se1 Yb1 Yb1 42.02(2) . 1_545
Se1 Yb1 Yb1 137.98(2) 1_565 1_545
Se4 Yb1 Yb1 90.0 . 1_545
Se3 Yb1 Yb1 44.50(2) . 1_545
Se3 Yb1 Yb1 135.50(2) 1_565 1_545
Yb2 Yb1 Yb1 59.183(11) 5_556 1_545
Yb2 Yb1 Yb1 120.816(11) 5_566 1_545
Yb2 Yb1 Yb1 90.0 . 1_545
Se2 Yb1 Yb1 90.0 . 1_565
Se1 Yb1 Yb1 137.98(2) . 1_565
Se1 Yb1 Yb1 42.02(2) 1_565 1_565
Se4 Yb1 Yb1 90.0 . 1_565
Se3 Yb1 Yb1 135.50(2) . 1_565
Se3 Yb1 Yb1 44.50(2) 1_565 1_565
Yb2 Yb1 Yb1 120.816(11) 5_556 1_565
Yb2 Yb1 Yb1 59.183(11) 5_566 1_565
Yb2 Yb1 Yb1 90.0 . 1_565
Yb1 Yb1 Yb1 180.0 1_545 1_565
Se6 Yb2 Se3 177.16(5) . 5_556
Se6 Yb2 Se2 92.52(4) . 5_556
Se3 Yb2 Se2 89.45(4) 5_556 5_556
Se6 Yb2 Se2 92.52(4) . 5_566
Se3 Yb2 Se2 89.45(4) 5_556 5_566
Se2 Yb2 Se2 91.87(5) 5_556 5_566
Se6 Yb2 Se3 82.91(4) . 1_565
Se3 Yb2 Se3 95.08(4) 5_556 1_565
Se2 Yb2 Se3 175.31(5) 5_556 1_565
Se2 Yb2 Se3 89.37(3) 5_566 1_565
Se6 Yb2 Se3 82.91(4) . .
Se3 Yb2 Se3 95.08(4) 5_556 .
Se2 Yb2 Se3 89.37(3) 5_556 .
Se2 Yb2 Se3 175.31(5) 5_566 .
Se3 Yb2 Se3 89.05(5) 1_565 .
Se6 Yb2 Yb2 129.60(4) . 5_556
Se3 Yb2 Yb2 48.35(3) 5_556 5_556
Se2 Yb2 Yb2 89.12(3) 5_556 5_556
Se2 Yb2 Yb2 137.79(5) 5_566 5_556
Se3 Yb2 Yb2 93.00(4) 1_565 5_556
Se3 Yb2 Yb2 46.73(3) . 5_556
Se6 Yb2 Yb2 129.60(4) . 5_566
Se3 Yb2 Yb2 48.35(3) 5_556 5_566
Se2 Yb2 Yb2 137.79(5) 5_556 5_566
Se2 Yb2 Yb2 89.12(3) 5_566 5_566
Se3 Yb2 Yb2 46.73(3) 1_565 5_566
Se3 Yb2 Yb2 93.00(4) . 5_566
Yb2 Yb2 Yb2 63.47(3) 5_556 5_566
Se6 Yb2 Yb1 136.06(3) . 5_556
Se3 Yb2 Yb1 45.89(2) 5_556 5_556
Se2 Yb2 Yb1 43.56(3) 5_556 5_556
Se2 Yb2 Yb1 90.66(4) 5_566 5_556
Se3 Yb2 Yb1 140.97(4) 1_565 5_556
Se3 Yb2 Yb1 93.34(3) . 5_556
Yb2 Yb2 Yb1 62.29(2) 5_556 5_556
Yb2 Yb2 Yb1 94.24(3) 5_566 5_556
Se6 Yb2 Yb1 136.06(3) . 5_566
Se3 Yb2 Yb1 45.89(2) 5_556 5_566
Se2 Yb2 Yb1 90.66(4) 5_556 5_566
Se2 Yb2 Yb1 43.56(3) 5_566 5_566
Se3 Yb2 Yb1 93.34(3) 1_565 5_566
Se3 Yb2 Yb1 140.97(4) . 5_566
Yb2 Yb2 Yb1 94.24(3) 5_556 5_566
Yb2 Yb2 Yb1 62.29(2) 5_566 5_566
Yb1 Yb2 Yb1 61.63(2) 5_556 5_566
Se6 Yb2 Yb1 84.42(4) . .
Se3 Yb2 Yb1 92.74(4) 5_556 .
Se2 Yb2 Yb1 134.03(2) 5_556 .
Se2 Yb2 Yb1 134.03(2) 5_566 .
Se3 Yb2 Yb1 44.70(2) 1_565 .
Se3 Yb2 Yb1 44.69(2) . .
Yb2 Yb2 Yb1 60.11(2) 5_556 .
Yb2 Yb2 Yb1 60.11(2) 5_566 .
Yb1 Yb2 Yb1 122.40(2) 5_556 .
Yb1 Yb2 Yb1 122.40(2) 5_566 .
Se6 Yb2 Yb2 90.0 . 1_545
Se3 Yb2 Yb2 90.000(1) 5_556 1_545
Se2 Yb2 Yb2 44.06(2) 5_556 1_545
Se2 Yb2 Yb2 135.94(2) 5_566 1_545
Se3 Yb2 Yb2 134.52(2) 1_565 1_545
Se3 Yb2 Yb2 45.48(2) . 1_545
Yb2 Yb2 Yb2 58.263(17) 5_556 1_545
Yb2 Yb2 Yb2 121.737(17) 5_566 1_545
Yb1 Yb2 Yb2 59.183(11) 5_556 1_545
Yb1 Yb2 Yb2 120.816(11) 5_566 1_545
Yb1 Yb2 Yb2 90.0 . 1_545
Se5 Ce1 Se5 85.33(4) . 1_565
Se5 Ce1 Se4 82.23(3) . 2_554
Se5 Ce1 Se4 140.96(4) 1_565 2_554
Se5 Ce1 Se4 140.96(4) . 2_564
Se5 Ce1 Se4 82.23(3) 1_565 2_564
Se4 Ce1 Se4 84.58(4) 2_554 2_564
Se5 Ce1 Se2 122.80(4) . 5_566
Se5 Ce1 Se2 68.74(3) 1_565 5_566
Se4 Ce1 Se2 146.61(4) 2_554 5_566
Se4 Ce1 Se2 86.39(3) 2_564 5_566
Se5 Ce1 Se2 68.74(3) . 5_556
Se5 Ce1 Se2 122.80(4) 1_565 5_556
Se4 Ce1 Se2 86.39(3) 2_554 5_556
Se4 Ce1 Se2 146.61(4) 2_564 5_556
Se2 Ce1 Se2 83.71(4) 5_566 5_556
Se5 Ce1 Se1 136.19(2) . 5_556
Se5 Ce1 Se1 136.19(2) 1_565 5_556
Se4 Ce1 Se1 71.75(3) 2_554 5_556
Se4 Ce1 Se1 71.75(3) 2_564 5_556
Se2 Ce1 Se1 74.88(3) 5_566 5_556
Se2 Ce1 Se1 74.88(3) 5_556 5_556
Se5 Ce1 Se1 65.94(3) . 2_554
Se5 Ce1 Se1 65.94(3) 1_565 2_554
Se4 Ce1 Se1 75.20(3) 2_554 2_554
Se4 Ce1 Se1 75.20(3) 2_564 2_554
Se2 Ce1 Se1 132.77(3) 5_566 2_554
Se2 Ce1 Se1 132.77(3) 5_556 2_554
Se1 Ce1 Se1 134.76(3) 5_556 2_554
Se5 Ce1 Ce1 132.66(2) . 1_565
Se5 Ce1 Ce1 47.34(2) 1_565 1_565
Se4 Ce1 Ce1 132.29(2) 2_554 1_565
Se4 Ce1 Ce1 47.71(2) 2_564 1_565
Se2 Ce1 Ce1 48.14(2) 5_566 1_565
Se2 Ce1 Ce1 131.86(2) 5_556 1_565
Se1 Ce1 Ce1 90.0 5_556 1_565
Se1 Ce1 Ce1 90.0 2_554 1_565
Se5 Ce1 Ce1 47.34(2) . 1_545
Se5 Ce1 Ce1 132.66(2) 1_565 1_545
Se4 Ce1 Ce1 47.71(2) 2_554 1_545
Se4 Ce1 Ce1 132.29(2) 2_564 1_545
Se2 Ce1 Ce1 131.86(2) 5_566 1_545
Se2 Ce1 Ce1 48.14(2) 5_556 1_545
Se1 Ce1 Ce1 90.0 5_556 1_545
Se1 Ce1 Ce1 90.0 2_554 1_545
Ce1 Ce1 Ce1 180.0 1_565 1_545
Se5 Ce1 Yb2 91.71(3) . .
Se5 Ce1 Yb2 91.71(3) 1_565 .
Se4 Ce1 Yb2 125.41(3) 2_554 .
Se4 Ce1 Yb2 125.41(3) 2_564 .
Se2 Ce1 Yb2 42.34(2) 5_566 .
Se2 Ce1 Yb2 42.34(2) 5_556 .
Se1 Ce1 Yb2 76.59(3) 5_556 .
Se1 Ce1 Yb2 148.65(3) 2_554 .
Ce1 Ce1 Yb2 90.0 1_565 .
Ce1 Ce1 Yb2 90.0 1_545 .
Se5 Ce2 Se5 85.41(4) 2 2_545
Se5 Ce2 Se6 71.13(3) 2 6_557
Se5 Ce2 Se6 126.55(4) 2_545 6_557
Se5 Ce2 Se6 126.55(4) 2 6_547
Se5 Ce2 Se6 71.13(3) 2_545 6_547
Se6 Ce2 Se6 85.29(4) 6_557 6_547
Se5 Ce2 Se4 143.52(4) 2 6_547
Se5 Ce2 Se4 84.00(3) 2_545 6_547
Se6 Ce2 Se4 140.47(4) 6_557 6_547
Se6 Ce2 Se4 82.17(3) 6_547 6_547
Se5 Ce2 Se4 84.00(3) 2 6_557
Se5 Ce2 Se4 143.52(4) 2_545 6_557
Se6 Ce2 Se4 82.17(3) 6_557 6_557
Se6 Ce2 Se4 140.47(4) 6_547 6_557
Se4 Ce2 Se4 84.11(4) 6_547 6_557
Se5 Ce2 Se1 70.22(3) 2 .
Se5 Ce2 Se1 70.22(3) 2_545 .
Se6 Ce2 Se1 135.82(2) 6_557 .
Se6 Ce2 Se1 135.82(2) 6_547 .
Se4 Ce2 Se1 73.34(3) 6_547 .
Se4 Ce2 Se1 73.34(3) 6_557 .
Se5 Ce2 Ag1 84.58(3) 2 2_455
Se5 Ce2 Ag1 84.58(3) 2_545 2_455
Se6 Ce2 Ag1 46.99(3) 6_557 2_455
Se6 Ce2 Ag1 46.99(3) 6_547 2_455
Se4 Ce2 Ag1 128.78(3) 6_547 2_455
Se4 Ce2 Ag1 128.78(3) 6_557 2_455
Se1 Ce2 Ag1 145.19(4) . 2_455
Se5 Ce2 Ce2 47.29(2) 2 1_565
Se5 Ce2 Ce2 132.71(2) 2_545 1_565
Se6 Ce2 Ce2 47.36(2) 6_557 1_565
Se6 Ce2 Ce2 132.64(2) 6_547 1_565
Se4 Ce2 Ce2 132.06(2) 6_547 1_565
Se4 Ce2 Ce2 47.95(2) 6_557 1_565
Se1 Ce2 Ce2 90.0 . 1_565
Ag1 Ce2 Ce2 90.0 2_455 1_565
Se5 Ce2 Ce2 132.71(2) 2 1_545
Se5 Ce2 Ce2 47.29(2) 2_545 1_545
Se6 Ce2 Ce2 132.64(2) 6_557 1_545
Se6 Ce2 Ce2 47.36(2) 6_547 1_545
Se4 Ce2 Ce2 47.95(2) 6_547 1_545
Se4 Ce2 Ce2 132.06(2) 6_557 1_545
Se1 Ce2 Ce2 90.0 . 1_545
Ag1 Ce2 Ce2 90.0 2_455 1_545
Ce2 Ce2 Ce2 180.0 1_565 1_545
Se5 Ag1 Se6 122.79(4) 5_556 5_556
Se5 Ag1 Se6 122.79(4) 5_556 5_566
Se6 Ag1 Se6 100.73(7) 5_556 5_566
Se5 Ag1 Ag1 104.59(6) 5_556 5_456
Se6 Ag1 Ag1 64.43(4) 5_556 5_456
Se6 Ag1 Ag1 128.38(7) 5_566 5_456
Se5 Ag1 Ag1 104.59(6) 5_556 5_466
Se6 Ag1 Ag1 128.38(7) 5_556 5_466
Se6 Ag1 Ag1 64.43(4) 5_566 5_466
Ag1 Ag1 Ag1 86.22(8) 5_456 5_466
Se5 Ag1 Se6 76.93(5) 5_556 1_455
Se6 Ag1 Se6 116.80(5) 5_556 1_455
Se6 Ag1 Se6 116.80(5) 5_566 1_455
Ag1 Ag1 Se6 52.38(5) 5_456 1_455
Ag1 Ag1 Se6 52.38(5) 5_466 1_455
Se5 Ag1 Ce2 177.45(6) 5_556 2_454
Se6 Ag1 Ce2 56.22(3) 5_556 2_454
Se6 Ag1 Ce2 56.22(3) 5_566 2_454
Ag1 Ag1 Ce2 77.22(5) 5_456 2_454
Ag1 Ag1 Ce2 77.22(5) 5_466 2_454
Se6 Ag1 Ce2 105.62(5) 1_455 2_454
Yb1 Se1 Yb1 95.96(5) . 1_545
Yb1 Se1 Ce2 131.93(2) . .
Yb1 Se1 Ce2 131.93(2) 1_545 .
Yb1 Se1 Ce1 95.92(4) . 5_556
Yb1 Se1 Ce1 95.92(4) 1_545 5_556
Ce2 Se1 Ce1 84.51(4) . 5_556
Yb1 Se1 Ce1 92.43(4) . 2
Yb1 Se1 Ce1 92.43(4) 1_545 2
Ce2 Se1 Ce1 83.00(4) . 2
Ce1 Se1 Ce1 167.50(4) 5_556 2
Yb1 Se2 Yb2 90.97(4) . 5_556
Yb1 Se2 Yb2 90.97(4) . 5_566
Yb2 Se2 Yb2 91.87(5) 5_556 5_566
Yb1 Se2 Ce1 100.29(4) . 5_566
Yb2 Se2 Ce1 168.29(5) 5_556 5_566
Yb2 Se2 Ce1 91.16(2) 5_566 5_566
Yb1 Se2 Ce1 100.29(4) . 5_556
Yb2 Se2 Ce1 91.16(2) 5_556 5_556
Yb2 Se2 Ce1 168.29(5) 5_566 5_556
Ce1 Se2 Ce1 83.72(4) 5_566 5_556
Yb2 Se3 Yb1 88.73(4) 5_556 1_545
Yb2 Se3 Yb1 88.73(4) 5_556 .
Yb1 Se3 Yb1 91.01(5) 1_545 .
Yb2 Se3 Yb2 84.92(4) 5_556 .
Yb1 Se3 Yb2 173.60(6) 1_545 .
Yb1 Se3 Yb2 89.63(2) . .
Yb2 Se3 Yb2 84.92(4) 5_556 1_545
Yb1 Se3 Yb2 89.62(2) 1_545 1_545
Yb1 Se3 Yb2 173.60(6) . 1_545
Yb2 Se3 Yb2 89.05(5) . 1_545
Yb1 Se4 Ce1 100.77(4) . 2_565
Yb1 Se4 Ce1 100.77(4) . 2
Ce1 Se4 Ce1 84.58(4) 2_565 2
Yb1 Se4 Ce2 106.24(4) . 6_667
Ce1 Se4 Ce2 89.39(2) 2_565 6_667
Ce1 Se4 Ce2 152.97(5) 2 6_667
Yb1 Se4 Ce2 106.24(4) . 6_657
Ce1 Se4 Ce2 152.97(5) 2_565 6_657
Ce1 Se4 Ce2 89.39(2) 2 6_657
Ce2 Se4 Ce2 84.11(4) 6_667 6_657
Ag1 Se5 Ce2 93.55(4) 5_556 2_554
Ag1 Se5 Ce2 93.55(4) 5_556 2_544
Ce2 Se5 Ce2 85.41(4) 2_554 2_544
Ag1 Se5 Ce1 102.46(4) 5_556 1_545
Ce2 Se5 Ce1 163.95(5) 2_554 1_545
Ce2 Se5 Ce1 92.39(2) 2_544 1_545
Ag1 Se5 Ce1 102.47(4) 5_556 .
Ce2 Se5 Ce1 92.39(2) 2_554 .
Ce2 Se5 Ce1 163.95(5) 2_544 .
Ce1 Se5 Ce1 85.33(4) 1_545 .
Ag1 Se6 Ag1 100.73(7) 5_566 5_556
Ag1 Se6 Yb2 100.80(5) 5_566 .
Ag1 Se6 Yb2 100.80(5) 5_556 .
Ag1 Se6 Ce2 76.79(3) 5_566 6_667
Ag1 Se6 Ce2 144.58(6) 5_556 6_667
Yb2 Se6 Ce2 114.46(4) . 6_667
Ag1 Se6 Ce2 144.58(6) 5_566 6_657
Ag1 Se6 Ce2 76.79(3) 5_556 6_657
Yb2 Se6 Ce2 114.46(4) . 6_657
Ce2 Se6 Ce2 85.29(4) 6_667 6_657
Ag1 Se6 Ag1 63.19(5) 5_566 1_655
Ag1 Se6 Ag1 63.19(5) 5_556 1_655
Yb2 Se6 Ag1 152.09(6) . 1_655
Ce2 Se6 Ag1 85.34(4) 6_667 1_655
Ce2 Se6 Ag1 85.34(4) 6_657 1_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 Se2 2.7507(16) .
Yb1 Se1 2.7520(10) .
Yb1 Se1 2.7521(10) 1_565
Yb1 Se4 2.7912(15) .
Yb1 Se3 2.8664(11) .
Yb1 Se3 2.8664(11) 1_565
Yb1 Yb2 3.9910(11) 5_556
Yb1 Yb2 3.9910(11) 5_566
Yb1 Yb2 4.0754(14) .
Yb1 Yb1 4.0891(10) 1_545
Yb1 Yb1 4.0891(10) 1_565
Yb2 Se6 2.7185(18) .
Yb2 Se3 2.8413(18) 5_556
Yb2 Se2 2.8454(12) 5_556
Yb2 Se2 2.8454(12) 5_566
Yb2 Se3 2.9158(13) 1_565
Yb2 Se3 2.9158(12) .
Yb2 Yb2 3.8868(17) 5_556
Yb2 Yb2 3.8868(17) 5_566
Yb2 Yb1 3.9910(11) 5_556
Yb2 Yb1 3.9910(11) 5_566
Yb2 Yb2 4.0891(10) 1_545
Ce1 Se5 3.0170(11) .
Ce1 Se5 3.0170(11) 1_565
Ce1 Se4 3.0386(12) 2_554
Ce1 Se4 3.0386(12) 2_564
Ce1 Se2 3.0640(12) 5_566
Ce1 Se2 3.0640(12) 5_556
Ce1 Se1 3.2475(17) 5_556
Ce1 Se1 3.4377(16) 2_554
Ce1 Ce1 4.0891(10) 1_565
Ce1 Ce1 4.0891(10) 1_545
Ce2 Se5 3.0145(12) 2
Ce2 Se5 3.0145(12) 2_545
Ce2 Se6 3.0181(13) 6_557
Ce2 Se6 3.0181(13) 6_547
Ce2 Se4 3.0523(12) 6_547
Ce2 Se4 3.0523(12) 6_557
Ce2 Se1 3.1220(16) .
Ce2 Ag1 3.5349(16) 2_455
Ce2 Ce2 4.0891(10) 1_565
Ce2 Ce2 4.0891(10) 1_545
Ag1 Se5 2.5910(18) 5_556
Ag1 Se6 2.6549(13) 5_556
Ag1 Se6 2.6549(13) 5_566
Ag1 Ag1 2.992(2) 5_456
Ag1 Ag1 2.992(2) 5_466
Ag1 Se6 3.024(2) 1_455
Ag1 Ce2 3.5349(16) 2_454
Se1 Yb1 2.7521(10) 1_545
Se1 Ce1 3.2475(17) 5_556
Se1 Ce1 3.4378(16) 2
Se2 Yb2 2.8454(12) 5_556
Se2 Yb2 2.8454(12) 5_566
Se2 Ce1 3.0640(12) 5_566
Se2 Ce1 3.0640(12) 5_556
Se3 Yb2 2.8413(18) 5_556
Se3 Yb1 2.8663(11) 1_545
Se3 Yb2 2.9158(12) 1_545
Se4 Ce1 3.0386(12) 2_565
Se4 Ce1 3.0386(12) 2
Se4 Ce2 3.0523(12) 6_667
Se4 Ce2 3.0523(12) 6_657
Se5 Ag1 2.5911(18) 5_556
Se5 Ce2 3.0145(12) 2_554
Se5 Ce2 3.0145(12) 2_544
Se5 Ce1 3.0170(11) 1_545
Se6 Ag1 2.6549(13) 5_566
Se6 Ag1 2.6549(13) 5_556
Se6 Ce2 3.0181(13) 6_667
Se6 Ce2 3.0181(13) 6_657
Se6 Ag1 3.024(2) 1_655
