#------------------------------------------------------------------------------
#$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178377 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/07/4000745.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_4000745
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         'La2 Yb Cu Se5'
_chemical_formula_sum            'Cu La2 Se5 Yb'
_chemical_formula_weight         909.20
_chemical_name_common            'lanthanum 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                   12.1326(11)
_cell_length_b                   4.1119(4)
_cell_length_c                   17.6653(16)
_cell_measurement_reflns_used    7723
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.04
_cell_volume                     881.29(14)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0634
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            7413
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_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    42.951
_exptl_absorpt_correction_T_max  0.57031
_exptl_absorpt_correction_T_min  0.14360
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.853
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1532
_exptl_crystal_size_max          0.354
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.012
_refine_diff_density_max         2.410
_refine_diff_density_min         -3.511
_refine_diff_density_rms         0.822
_refine_ls_extinction_coef       0.0028(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         1248
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0369
_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)+(0.0502P)²+2.7176P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.0966
_reflns_number_gt                1040
_reflns_number_total             1248
_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               4000745
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
La1 La 0.98018(7) -0.2500 0.82463(5) 0.0071(2) Uani 1 2 d S
La2 La 0.86643(7) 0.2500 0.40051(5) 0.0067(2) Uani 1 2 d S
Yb1 Yb 0.80370(6) 0.2500 0.63553(4) 0.0148(2) Uani 1 2 d S
Cu1 Cu 0.6749(3) -0.2500 0.5190(2) 0.0146(8) Uani 0.53 2 d SP
Cu2 Cu 0.5875(4) -0.2500 0.5028(2) 0.0159(9) Uani 0.47 2 d SP
Se1 Se 1.01382(12) 0.2500 0.69874(8) 0.0062(3) Uani 1 2 d S
Se2 Se 0.81473(12) -0.7500 0.88441(8) 0.0067(3) Uani 1 2 d S
Se3 Se 0.88681(12) -0.2500 0.53310(8) 0.0093(3) Uani 1 2 d S
Se4 Se 0.59511(12) 0.2500 0.57325(8) 0.0079(3) Uani 1 2 d S
Se5 Se 0.74025(12) -0.2500 0.72997(8) 0.0078(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
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 '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 La1 Se1 84.56(4) 1_545 .
Se1 La1 Se2 83.50(3) 1_545 .
Se1 La1 Se2 142.22(5) . .
Se1 La1 Se2 142.22(5) 1_545 1_565
Se1 La1 Se2 83.50(3) . 1_565
Se2 La1 Se2 84.38(4) . 1_565
Se1 La1 Se4 144.83(5) 1_545 6_657
Se1 La1 Se4 85.21(3) . 6_657
Se2 La1 Se4 123.01(5) . 6_657
Se2 La1 Se4 69.23(4) 1_565 6_657
Se1 La1 Se4 85.21(3) 1_545 6_647
Se1 La1 Se4 144.83(5) . 6_647
Se2 La1 Se4 69.23(4) . 6_647
Se2 La1 Se4 123.01(5) 1_565 6_647
Se4 La1 Se4 84.08(4) 6_657 6_647
Se1 La1 Se5 70.10(3) 1_545 6_657
Se1 La1 Se5 70.10(3) . 6_657
Se2 La1 Se5 136.71(2) . 6_657
Se2 La1 Se5 136.71(2) 1_565 6_657
Se4 La1 Se5 74.78(4) 6_657 6_657
Se4 La1 Se5 74.78(4) 6_647 6_657
Se1 La1 Cu2 128.09(5) 1_545 6_657
Se1 La1 Cu2 128.09(5) . 6_657
Se2 La1 Cu2 86.57(7) . 6_657
Se2 La1 Cu2 86.57(7) 1_565 6_657
Se4 La1 Cu2 44.05(3) 6_657 6_657
Se4 La1 Cu2 44.05(3) 6_647 6_657
Se5 La1 Cu2 83.88(9) 6_657 6_657
Se1 La1 Se5 75.72(4) 1_545 .
Se1 La1 Se5 75.72(4) . .
Se2 La1 Se5 66.62(4) . .
Se2 La1 Se5 66.62(4) 1_565 .
Se4 La1 Se5 133.35(3) 6_657 .
Se4 La1 Se5 133.35(3) 6_647 .
Se5 La1 Se5 133.13(3) 6_657 .
Cu2 La1 Se5 142.99(9) 6_657 .
Se1 La1 Cu1 117.80(5) 1_545 6_657
Se1 La1 Cu1 117.80(5) . 6_657
Se2 La1 Cu1 99.44(6) . 6_657
Se2 La1 Cu1 99.44(6) 1_565 6_657
Se4 La1 Cu1 42.12(2) 6_657 6_657
Se4 La1 Cu1 42.12(2) 6_647 6_657
Se5 La1 Cu1 66.46(7) 6_657 6_657
Cu2 La1 Cu1 17.41(9) 6_657 6_657
Se5 La1 Cu1 160.41(7) . 6_657
Se1 La1 Cu2 169.47(5) 1_545 2_655
Se1 La1 Cu2 105.32(4) . 2_655
Se2 La1 Cu2 86.38(6) . 2_655
Se2 La1 Cu2 38.65(7) 1_565 2_655
Se4 La1 Cu2 42.14(7) 6_657 2_655
Se4 La1 Cu2 88.52(6) 6_647 2_655
Se5 La1 Cu2 116.30(7) 6_657 2_655
Cu2 La1 Cu2 48.06(10) 6_657 2_655
Se5 La1 Cu2 102.85(7) . 2_655
Cu1 La1 Cu2 61.12(9) 6_657 2_655
Se1 La1 Cu2 105.32(4) 1_545 2_645
Se1 La1 Cu2 169.47(5) . 2_645
Se2 La1 Cu2 38.65(7) . 2_645
Se2 La1 Cu2 86.38(6) 1_565 2_645
Se4 La1 Cu2 88.52(6) 6_657 2_645
Se4 La1 Cu2 42.14(7) 6_647 2_645
Se5 La1 Cu2 116.30(7) 6_657 2_645
Cu2 La1 Cu2 48.06(10) 6_657 2_645
Se5 La1 Cu2 102.85(8) . 2_645
Cu1 La1 Cu2 61.12(9) 6_657 2_645
Cu2 La1 Cu2 64.60(7) 2_655 2_645
Se2 La2 Se2 85.70(4) 2_644 2_654
Se2 La2 Se1 80.49(3) 2_644 5_756
Se2 La2 Se1 138.28(5) 2_654 5_756
Se2 La2 Se1 138.28(5) 2_644 5_766
Se2 La2 Se1 80.49(3) 2_654 5_766
Se1 La2 Se1 84.16(4) 5_756 5_766
Se2 La2 Se3 71.38(3) 2_644 .
Se2 La2 Se3 125.11(5) 2_654 .
Se1 La2 Se3 87.13(3) 5_756 .
Se1 La2 Se3 146.25(5) 5_766 .
Se2 La2 Se3 125.11(5) 2_644 1_565
Se2 La2 Se3 71.38(3) 2_654 1_565
Se1 La2 Se3 146.25(5) 5_756 1_565
Se1 La2 Se3 87.14(3) 5_766 1_565
Se3 La2 Se3 82.23(4) . 1_565
Se2 La2 Se3 135.34(2) 2_644 5_756
Se2 La2 Se3 135.34(2) 2_654 5_756
Se1 La2 Se3 76.56(4) 5_756 5_756
Se1 La2 Se3 76.56(4) 5_766 5_756
Se3 La2 Se3 69.70(4) . 5_756
Se3 La2 Se3 69.70(4) 1_565 5_756
Se2 La2 Se5 68.07(3) 2_644 2_654
Se2 La2 Se5 68.07(3) 2_654 2_654
Se1 La2 Se5 70.24(4) 5_756 2_654
Se1 La2 Se5 70.24(4) 5_766 2_654
Se3 La2 Se5 136.02(3) . 2_654
Se3 La2 Se5 136.02(3) 1_565 2_654
Se3 La2 Se5 134.64(4) 5_756 2_654
Se2 La2 Cu1 39.42(6) 2_644 .
Se2 La2 Cu1 88.55(5) 2_654 .
Se1 La2 Cu1 104.21(4) 5_756 .
Se1 La2 Cu1 169.04(5) 5_766 .
Se3 La2 Cu1 43.02(6) . .
Se3 La2 Cu1 89.51(5) 1_565 .
Se3 La2 Cu1 111.97(7) 5_756 .
Se5 La2 Cu1 105.58(7) 2_654 .
Se2 La2 Cu1 88.55(5) 2_644 1_565
Se2 La2 Cu1 39.42(6) 2_654 1_565
Se1 La2 Cu1 169.04(5) 5_756 1_565
Se1 La2 Cu1 104.21(4) 5_766 1_565
Se3 La2 Cu1 89.51(5) . 1_565
Se3 La2 Cu1 43.02(6) 1_565 1_565
Se3 La2 Cu1 111.98(7) 5_756 1_565
Se5 La2 Cu1 105.58(7) 2_654 1_565
Cu1 La2 Cu1 66.64(6) . 1_565
Se2 La2 La2 132.85(2) 2_644 1_565
Se2 La2 La2 47.15(2) 2_654 1_565
Se1 La2 La2 132.08(2) 5_756 1_565
Se1 La2 La2 47.92(2) 5_766 1_565
Se3 La2 La2 131.12(2) . 1_565
Se3 La2 La2 48.88(2) 1_565 1_565
Se3 La2 La2 90.0 5_756 1_565
Se5 La2 La2 90.0 2_654 1_565
Cu1 La2 La2 123.32(3) . 1_565
Cu1 La2 La2 56.68(3) 1_565 1_565
Se2 La2 La2 47.15(2) 2_644 1_545
Se2 La2 La2 132.85(2) 2_654 1_545
Se1 La2 La2 47.92(2) 5_756 1_545
Se1 La2 La2 132.08(2) 5_766 1_545
Se3 La2 La2 48.88(2) . 1_545
Se3 La2 La2 131.12(2) 1_565 1_545
Se3 La2 La2 90.0 5_756 1_545
Se5 La2 La2 90.0 2_654 1_545
Cu1 La2 La2 56.68(3) . 1_545
Cu1 La2 La2 123.32(3) 1_565 1_545
La2 La2 La2 180.00(4) 1_565 1_545
Se5 Yb1 Se5 96.43(5) . 1_565
Se5 Yb1 Se4 89.15(4) . .
Se5 Yb1 Se4 89.15(4) 1_565 .
Se5 Yb1 Se1 90.75(4) . .
Se5 Yb1 Se1 90.75(4) 1_565 .
Se4 Yb1 Se1 179.85(5) . .
Se5 Yb1 Se3 175.45(4) . 1_565
Se5 Yb1 Se3 86.92(3) 1_565 1_565
Se4 Yb1 Se3 93.99(4) . 1_565
Se1 Yb1 Se3 86.12(4) . 1_565
Se5 Yb1 Se3 86.92(3) . .
Se5 Yb1 Se3 175.45(4) 1_565 .
Se4 Yb1 Se3 93.99(4) . .
Se1 Yb1 Se3 86.12(4) . .
Se3 Yb1 Se3 89.57(5) 1_565 .
Se5 Yb1 Cu1 77.34(6) . .
Se5 Yb1 Cu1 135.17(7) 1_565 .
Se4 Yb1 Cu1 46.96(6) . .
Se1 Yb1 Cu1 133.12(6) . .
Se3 Yb1 Cu1 102.44(6) 1_565 .
Se3 Yb1 Cu1 48.58(7) . .
Se5 Yb1 Cu1 135.17(7) . 1_565
Se5 Yb1 Cu1 77.34(6) 1_565 1_565
Se4 Yb1 Cu1 46.96(6) . 1_565
Se1 Yb1 Cu1 133.12(6) . 1_565
Se3 Yb1 Cu1 48.58(7) 1_565 1_565
Se3 Yb1 Cu1 102.44(6) . 1_565
Cu1 Yb1 Cu1 76.99(9) . 1_565
Se5 Yb1 Cu2 78.01(6) . .
Se5 Yb1 Cu2 123.00(7) 1_565 .
Se4 Yb1 Cu2 34.94(5) . .
Se1 Yb1 Cu2 145.13(5) . .
Se3 Yb1 Cu2 102.76(6) 1_565 .
Se3 Yb1 Cu2 60.67(6) . .
Cu1 Yb1 Cu2 12.22(7) . .
Cu1 Yb1 Cu2 69.55(6) 1_565 .
Se5 Yb1 Cu2 123.00(7) . 1_565
Se5 Yb1 Cu2 78.01(6) 1_565 1_565
Se4 Yb1 Cu2 34.94(5) . 1_565
Se1 Yb1 Cu2 145.13(5) . 1_565
Se3 Yb1 Cu2 60.67(6) 1_565 1_565
Se3 Yb1 Cu2 102.76(6) . 1_565
Cu1 Yb1 Cu2 69.55(6) . 1_565
Cu1 Yb1 Cu2 12.22(7) 1_565 1_565
Cu2 Yb1 Cu2 60.59(7) . 1_565
Se5 Yb1 Yb1 138.21(2) . 1_565
Se5 Yb1 Yb1 41.78(2) 1_565 1_565
Se4 Yb1 Yb1 90.0 . 1_565
Se1 Yb1 Yb1 90.0 . 1_565
Se3 Yb1 Yb1 45.21(2) 1_565 1_565
Se3 Yb1 Yb1 134.79(2) . 1_565
Cu1 Yb1 Yb1 128.50(4) . 1_565
Cu1 Yb1 Yb1 51.50(4) 1_565 1_565
Cu2 Yb1 Yb1 120.30(3) . 1_565
Cu2 Yb1 Yb1 59.70(3) 1_565 1_565
Se5 Yb1 Yb1 41.78(2) . 1_545
Se5 Yb1 Yb1 138.21(2) 1_565 1_545
Se4 Yb1 Yb1 90.0 . 1_545
Se1 Yb1 Yb1 90.0 . 1_545
Se3 Yb1 Yb1 134.79(2) 1_565 1_545
Se3 Yb1 Yb1 45.22(2) . 1_545
Cu1 Yb1 Yb1 51.50(4) . 1_545
Cu1 Yb1 Yb1 128.50(4) 1_565 1_545
Cu2 Yb1 Yb1 59.70(3) . 1_545
Cu2 Yb1 Yb1 120.30(3) 1_565 1_545
Yb1 Yb1 Yb1 180.0 1_565 1_545
Cu2 Cu1 Se2 77.9(3) . 2_644
Cu2 Cu1 Se4 73.89(16) . .
Se2 Cu1 Se4 114.14(10) 2_644 .
Cu2 Cu1 Se4 73.89(16) . 1_545
Se2 Cu1 Se4 114.14(10) 2_644 1_545
Se4 Cu1 Se4 112.93(15) . 1_545
Cu2 Cu1 Se3 170.4(3) . .
Se2 Cu1 Se3 92.51(13) 2_644 .
Se4 Cu1 Se3 110.67(11) . .
Se4 Cu1 Se3 110.67(11) 1_545 .
Cu2 Cu1 Yb1 128.3(2) . .
Se2 Cu1 Yb1 126.69(10) 2_644 .
Se4 Cu1 Yb1 54.86(6) . .
Se4 Cu1 Yb1 117.53(13) 1_545 .
Se3 Cu1 Yb1 57.91(7) . .
Cu2 Cu1 Yb1 128.3(2) . 1_545
Se2 Cu1 Yb1 126.69(10) 2_644 1_545
Se4 Cu1 Yb1 117.53(13) . 1_545
Se4 Cu1 Yb1 54.86(6) 1_545 1_545
Se3 Cu1 Yb1 57.91(7) . 1_545
Yb1 Cu1 Yb1 76.99(9) . 1_545
Cu2 Cu1 La1 64.6(3) . 6_557
Se2 Cu1 La1 142.50(16) 2_644 6_557
Se4 Cu1 La1 56.60(8) . 6_557
Se4 Cu1 La1 56.60(8) 1_545 6_557
Se3 Cu1 La1 124.99(13) . 6_557
Yb1 Cu1 La1 80.43(7) . 6_557
Yb1 Cu1 La1 80.42(7) 1_545 6_557
Cu2 Cu1 Se4 11.3(3) . 5_656
Se2 Cu1 Se4 66.59(10) 2_644 5_656
Se4 Cu1 Se4 79.73(10) . 5_656
Se4 Cu1 Se4 79.73(10) 1_545 5_656
Se3 Cu1 Se4 159.10(14) . 5_656
Yb1 Cu1 Se4 134.53(7) . 5_656
Yb1 Cu1 Se4 134.53(7) 1_545 5_656
La1 Cu1 Se4 75.91(8) 6_557 5_656
Cu2 Cu1 La2 117.0(2) . 1_545
Se2 Cu1 La2 53.76(7) 2_644 1_545
Se4 Cu1 La2 156.78(11) . 1_545
Se4 Cu1 La2 90.18(5) 1_545 1_545
Se3 Cu1 La2 55.67(7) . 1_545
Yb1 Cu1 La2 113.37(11) . 1_545
Yb1 Cu1 La2 73.31(5) 1_545 1_545
La1 Cu1 La2 145.95(4) 6_557 1_545
Se4 Cu1 La2 107.88(8) 5_656 1_545
Cu2 Cu1 La2 117.0(2) . .
Se2 Cu1 La2 53.76(7) 2_644 .
Se4 Cu1 La2 90.18(5) . .
Se4 Cu1 La2 156.78(11) 1_545 .
Se3 Cu1 La2 55.67(7) . .
Yb1 Cu1 La2 73.31(5) . .
Yb1 Cu1 La2 113.38(11) 1_545 .
La1 Cu1 La2 145.95(4) 6_557 .
Se4 Cu1 La2 107.88(8) 5_656 .
La2 Cu1 La2 66.64(6) 1_545 .
Cu2 Cu1 Cu2 33.58(9) . 5_646
Se2 Cu1 Cu2 86.77(12) 2_644 5_646
Se4 Cu1 Cu2 99.27(13) . 5_646
Se4 Cu1 Cu2 42.37(8) 1_545 5_646
Se3 Cu1 Cu2 147.31(5) . 5_646
Yb1 Cu1 Cu2 142.58(12) . 5_646
Yb1 Cu1 Cu2 97.02(6) 1_545 5_646
La1 Cu1 Cu2 62.19(8) 6_557 5_646
Se4 Cu1 Cu2 37.51(7) 5_656 5_646
La2 Cu1 Cu2 99.56(7) 1_545 5_646
La2 Cu1 Cu2 139.39(12) . 5_646
Cu2 Cu1 Cu2 33.58(9) . 5_656
Se2 Cu1 Cu2 86.77(12) 2_644 5_656
Se4 Cu1 Cu2 42.37(8) . 5_656
Se4 Cu1 Cu2 99.27(13) 1_545 5_656
Se3 Cu1 Cu2 147.31(5) . 5_656
Yb1 Cu1 Cu2 97.02(6) . 5_656
Yb1 Cu1 Cu2 142.58(12) 1_545 5_656
La1 Cu1 Cu2 62.19(8) 6_557 5_656
Se4 Cu1 Cu2 37.51(7) 5_656 5_656
La2 Cu1 Cu2 139.39(12) 1_545 5_656
La2 Cu1 Cu2 99.56(7) . 5_656
Cu2 Cu1 Cu2 65.34(11) 5_646 5_656
Cu2 Cu1 Se5 117.1(3) . .
Se2 Cu1 Se5 164.96(16) 2_644 .
Se4 Cu1 Se5 72.63(9) . .
Se4 Cu1 Se5 72.63(9) 1_545 .
Se3 Cu1 Se5 72.44(10) . .
Yb1 Cu1 Se5 44.91(5) . .
Yb1 Cu1 Se5 44.91(5) 1_545 .
La1 Cu1 Se5 52.54(6) 6_557 .
Se4 Cu1 Se5 128.45(11) 5_656 .
La2 Cu1 Se5 114.69(9) 1_545 .
La2 Cu1 Se5 114.69(9) . .
Cu2 Cu1 Se5 105.81(10) 5_646 .
Cu2 Cu1 Se5 105.81(10) 5_656 .
Cu2 Cu1 Cu1 89.999(1) . 1_565
Se2 Cu1 Cu1 90.0 2_644 1_565
Se4 Cu1 Cu1 33.53(8) . 1_565
Se4 Cu1 Cu1 146.47(8) 1_545 1_565
Se3 Cu1 Cu1 90.0 . 1_565
Yb1 Cu1 Cu1 51.50(4) . 1_565
Yb1 Cu1 Cu1 128.50(4) 1_545 1_565
La1 Cu1 Cu1 90.0 6_557 1_565
Se4 Cu1 Cu1 90.0 5_656 1_565
La2 Cu1 Cu1 123.32(3) 1_545 1_565
La2 Cu1 Cu1 56.68(3) . 1_565
Cu2 Cu1 Cu1 122.67(5) 5_646 1_565
Cu2 Cu1 Cu1 57.33(5) 5_656 1_565
Se5 Cu1 Cu1 90.0 . 1_565
Cu2 Cu1 Cu1 89.999(1) . 1_545
Se2 Cu1 Cu1 90.0 2_644 1_545
Se4 Cu1 Cu1 146.47(8) . 1_545
Se4 Cu1 Cu1 33.53(8) 1_545 1_545
Se3 Cu1 Cu1 90.0 . 1_545
Yb1 Cu1 Cu1 128.50(4) . 1_545
Yb1 Cu1 Cu1 51.50(4) 1_545 1_545
La1 Cu1 Cu1 90.0 6_557 1_545
Se4 Cu1 Cu1 90.0 5_656 1_545
La2 Cu1 Cu1 56.68(3) 1_545 1_545
La2 Cu1 Cu1 123.32(3) . 1_545
Cu2 Cu1 Cu1 57.33(5) 5_646 1_545
Cu2 Cu1 Cu1 122.67(5) 5_656 1_545
Se5 Cu1 Cu1 90.0 . 1_545
Cu1 Cu1 Cu1 179.997(1) 1_565 1_545
Cu1 Cu2 Se2 75.5(3) . 2_644
Cu1 Cu2 Se4 80.09(18) . .
Se2 Cu2 Se4 115.55(11) 2_644 .
Cu1 Cu2 Se4 80.09(18) . 1_545
Se2 Cu2 Se4 115.55(11) 2_644 1_545
Se4 Cu2 Se4 117.45(19) . 1_545
Cu1 Cu2 Se4 163.9(4) . 5_656
Se2 Cu2 Se4 88.36(14) 2_644 5_656
Se4 Cu2 Se4 107.53(13) . 5_656
Se4 Cu2 Se4 107.53(13) 1_545 5_656
Cu1 Cu2 Cu2 134.56(16) . 5_646
Se2 Cu2 Cu2 109.01(19) 2_644 5_646
Se4 Cu2 Cu2 129.7(2) . 5_646
Se4 Cu2 Cu2 56.66(7) 1_545 5_646
Se4 Cu2 Cu2 50.87(14) 5_656 5_646
Cu1 Cu2 Cu2 134.56(16) . 5_656
Se2 Cu2 Cu2 109.01(19) 2_644 5_656
Se4 Cu2 Cu2 56.66(7) . 5_656
Se4 Cu2 Cu2 129.7(2) 1_545 5_656
Se4 Cu2 Cu2 50.87(14) 5_656 5_656
Cu2 Cu2 Cu2 88.1(3) 5_646 5_656
Cu1 Cu2 La1 98.0(3) . 6_557
Se2 Cu2 La1 173.5(2) 2_644 6_557
Se4 Cu2 La1 62.55(10) . 6_557
Se4 Cu2 La1 62.55(10) 1_545 6_557
Se4 Cu2 La1 98.10(14) 5_656 6_557
Cu2 Cu2 La1 75.42(16) 5_646 6_557
Cu2 Cu2 La1 75.42(16) 5_656 6_557
Cu1 Cu2 Se3 6.7(2) . .
Se2 Cu2 Se3 68.82(12) 2_644 .
Se4 Cu2 Se3 83.47(12) . .
Se4 Cu2 Se3 83.48(12) 1_545 .
Se4 Cu2 Se3 157.18(16) 5_656 .
Cu2 Cu2 Se3 135.65(13) 5_646 .
Cu2 Cu2 Se3 135.65(13) 5_656 .
La1 Cu2 Se3 104.72(12) 6_557 .
Cu1 Cu2 Cu1 146.42(9) . 5_646
Se2 Cu2 Cu1 108.96(14) 2_644 5_646
Se4 Cu2 Cu1 123.07(17) . 5_646
Se4 Cu2 Cu1 67.85(9) 1_545 5_646
Se4 Cu2 Cu1 39.92(8) 5_656 5_646
Cu2 Cu2 Cu1 11.86(9) 5_646 5_646
Cu2 Cu2 Cu1 76.82(18) 5_656 5_646
La1 Cu2 Cu1 76.38(10) 6_557 5_646
Se3 Cu2 Cu1 147.30(5) . 5_646
Cu1 Cu2 Cu1 146.42(9) . 5_656
Se2 Cu2 Cu1 108.96(14) 2_644 5_656
Se4 Cu2 Cu1 67.85(9) . 5_656
Se4 Cu2 Cu1 123.07(17) 1_545 5_656
Se4 Cu2 Cu1 39.92(8) 5_656 5_656
Cu2 Cu2 Cu1 76.82(17) 5_646 5_656
Cu2 Cu2 Cu1 11.86(9) 5_656 5_656
La1 Cu2 Cu1 76.38(10) 6_557 5_656
Se3 Cu2 Cu1 147.30(6) . 5_656
Cu1 Cu2 Cu1 65.34(11) 5_646 5_656
Cu1 Cu2 La1 114.8(3) . 2_644
Se2 Cu2 La1 52.70(7) 2_644 2_644
Se4 Cu2 La1 152.67(14) . 2_644
Se4 Cu2 La1 88.56(7) 1_545 2_644
Se4 Cu2 La1 52.67(7) 5_656 2_644
Cu2 Cu2 La1 56.52(13) 5_646 2_644
Cu2 Cu2 La1 101.0(2) 5_656 2_644
La1 Cu2 La1 131.94(10) 6_557 2_644
Se3 Cu2 La1 109.30(10) . 2_644
Cu1 Cu2 La1 56.69(7) 5_646 2_644
Cu1 Cu2 La1 91.59(11) 5_656 2_644
Cu1 Cu2 La1 114.8(3) . 2_654
Se2 Cu2 La1 52.70(7) 2_644 2_654
Se4 Cu2 La1 88.56(7) . 2_654
Se4 Cu2 La1 152.67(14) 1_545 2_654
Se4 Cu2 La1 52.67(7) 5_656 2_654
Cu2 Cu2 La1 101.0(2) 5_646 2_654
Cu2 Cu2 La1 56.52(13) 5_656 2_654
La1 Cu2 La1 131.94(10) 6_557 2_654
Se3 Cu2 La1 109.30(10) . 2_654
Cu1 Cu2 La1 91.59(11) 5_646 2_654
Cu1 Cu2 La1 56.69(7) 5_656 2_654
La1 Cu2 La1 64.60(7) 2_644 2_654
Cu1 Cu2 Yb1 39.51(16) . .
Se2 Cu2 Yb1 100.54(13) 2_644 .
Se4 Cu2 Yb1 41.08(8) . .
Se4 Cu2 Yb1 96.23(14) 1_545 .
Se4 Cu2 Yb1 148.08(6) 5_656 .
Cu2 Cu2 Yb1 146.3(2) 5_646 .
Cu2 Cu2 Yb1 97.49(12) 5_656 .
La1 Cu2 Yb1 73.95(8) 6_557 .
Se3 Cu2 Yb1 43.88(5) . .
Cu1 Cu2 Yb1 150.25(13) 5_646 .
Cu1 Cu2 Yb1 108.88(6) 5_656 .
La1 Cu2 Yb1 151.36(13) 2_644 .
La1 Cu2 Yb1 109.78(5) 2_654 .
Cu1 Cu2 Yb1 39.51(16) . 1_545
Se2 Cu2 Yb1 100.54(13) 2_644 1_545
Se4 Cu2 Yb1 96.23(14) . 1_545
Se4 Cu2 Yb1 41.07(8) 1_545 1_545
Se4 Cu2 Yb1 148.08(6) 5_656 1_545
Cu2 Cu2 Yb1 97.49(12) 5_646 1_545
Cu2 Cu2 Yb1 146.3(2) 5_656 1_545
La1 Cu2 Yb1 73.94(8) 6_557 1_545
Se3 Cu2 Yb1 43.88(5) . 1_545
Cu1 Cu2 Yb1 108.88(6) 5_646 1_545
Cu1 Cu2 Yb1 150.25(13) 5_656 1_545
La1 Cu2 Yb1 109.78(5) 2_644 1_545
La1 Cu2 Yb1 151.36(13) 2_654 1_545
Yb1 Cu2 Yb1 60.59(7) . 1_545
Cu1 Cu2 Cu2 90.000(1) . 1_565
Se2 Cu2 Cu2 90.0 2_644 1_565
Se4 Cu2 Cu2 31.27(9) . 1_565
Se4 Cu2 Cu2 148.73(9) 1_545 1_565
Se4 Cu2 Cu2 90.0 5_656 1_565
Cu2 Cu2 Cu2 134.05(13) 5_646 1_565
Cu2 Cu2 Cu2 45.95(13) 5_656 1_565
La1 Cu2 Cu2 90.0 6_557 1_565
Se3 Cu2 Cu2 90.0 . 1_565
Cu1 Cu2 Cu2 122.67(5) 5_646 1_565
Cu1 Cu2 Cu2 57.33(5) 5_656 1_565
La1 Cu2 Cu2 122.30(3) 2_644 1_565
La1 Cu2 Cu2 57.70(4) 2_654 1_565
Yb1 Cu2 Cu2 59.71(3) . 1_565
Yb1 Cu2 Cu2 120.30(3) 1_545 1_565
Yb1 Se1 La1 99.77(4) . .
Yb1 Se1 La1 99.76(4) . 1_565
La1 Se1 La1 84.56(4) . 1_565
Yb1 Se1 La2 101.80(4) . 5_756
La1 Se1 La2 91.62(2) . 5_756
La1 Se1 La2 158.43(6) 1_565 5_756
Yb1 Se1 La2 101.80(4) . 5_766
La1 Se1 La2 158.43(6) . 5_766
La1 Se1 La2 91.62(2) 1_565 5_766
La2 Se1 La2 84.16(4) 5_756 5_766
Yb1 Se1 Cu1 110.83(6) . 5_756
La1 Se1 Cu1 127.79(4) . 5_756
La1 Se1 Cu1 127.79(4) 1_565 5_756
La2 Se1 Cu1 42.31(2) 5_756 5_756
La2 Se1 Cu1 42.31(2) 5_766 5_756
Yb1 Se1 Cu2 100.76(6) . 2_655
La1 Se1 Cu2 42.34(2) . 2_655
La1 Se1 Cu2 42.34(2) 1_565 2_655
La2 Se1 Cu2 131.51(4) 5_756 2_655
La2 Se1 Cu2 131.51(4) 5_766 2_655
Cu1 Se1 Cu2 148.41(8) 5_756 2_655
Yb1 Se1 Cu1 25.56(3) . .
La1 Se1 Cu1 93.89(4) . .
La1 Se1 Cu1 124.25(5) 1_565 .
La2 Se1 Cu1 77.12(4) 5_756 .
La2 Se1 Cu1 105.68(5) 5_766 .
Cu1 Se1 Cu1 96.32(6) 5_756 .
Cu2 Se1 Cu1 112.94(6) 2_655 .
Yb1 Se1 Cu1 25.56(3) . 1_565
La1 Se1 Cu1 124.25(5) . 1_565
La1 Se1 Cu1 93.88(4) 1_565 1_565
La2 Se1 Cu1 105.69(5) 5_756 1_565
La2 Se1 Cu1 77.12(4) 5_766 1_565
Cu1 Se1 Cu1 96.32(6) 5_756 1_565
Cu2 Se1 Cu1 112.94(6) 2_655 1_565
Cu1 Se1 Cu1 43.18(3) . 1_565
Yb1 Se1 Cu2 120.80(6) . 6_667
La1 Se1 Cu2 65.95(3) . 6_667
La1 Se1 Cu2 27.09(4) 1_565 6_667
La2 Se1 Cu2 133.83(5) 5_756 6_667
La2 Se1 Cu2 102.21(4) 5_766 6_667
Cu1 Se1 Cu2 123.18(6) 5_756 6_667
Cu2 Se1 Cu2 30.42(7) 2_655 6_667
Cu1 Se1 Cu2 140.34(7) . 6_667
Cu1 Se1 Cu2 120.38(5) 1_565 6_667
Yb1 Se1 Cu2 120.80(6) . 6_657
La1 Se1 Cu2 27.09(4) . 6_657
La1 Se1 Cu2 65.95(3) 1_565 6_657
La2 Se1 Cu2 102.21(4) 5_756 6_657
La2 Se1 Cu2 133.83(5) 5_766 6_657
Cu1 Se1 Cu2 123.18(6) 5_756 6_657
Cu2 Se1 Cu2 30.42(7) 2_655 6_657
Cu1 Se1 Cu2 120.38(5) . 6_657
Cu1 Se1 Cu2 140.34(7) 1_565 6_657
Cu2 Se1 Cu2 42.05(3) 6_667 6_657
Yb1 Se1 Cu1 131.35(5) . 6_667
La1 Se1 Cu1 69.76(4) . 6_667
La1 Se1 Cu1 34.09(4) 1_565 6_667
La2 Se1 Cu1 125.14(5) 5_756 6_667
La2 Se1 Cu1 95.47(4) 5_766 6_667
Cu1 Se1 Cu1 112.43(3) 5_756 6_667
Cu2 Se1 Cu1 39.53(6) 2_655 6_667
Cu1 Se1 Cu1 151.23(7) . 6_667
Cu1 Se1 Cu1 127.79(4) 1_565 6_667
Cu2 Se1 Cu1 10.99(6) 6_667 6_667
Cu2 Se1 Cu1 43.57(3) 6_657 6_667
Cu1 Se2 Cu2 26.54(13) 2_645 2_645
Cu1 Se2 La2 86.82(8) 2_645 2_645
Cu2 Se2 La2 106.08(9) 2_645 2_645
Cu1 Se2 La2 86.82(8) 2_645 2_655
Cu2 Se2 La2 106.08(9) 2_645 2_655
La2 Se2 La2 85.70(4) 2_645 2_655
Cu1 Se2 La1 108.04(8) 2_645 1_545
Cu2 Se2 La1 88.65(9) 2_645 1_545
La2 Se2 La1 93.01(2) 2_645 1_545
La2 Se2 La1 165.01(6) 2_655 1_545
Cu1 Se2 La1 108.05(8) 2_645 .
Cu2 Se2 La1 88.65(9) 2_645 .
La2 Se2 La1 165.00(6) 2_645 .
La2 Se2 La1 93.007(19) 2_655 .
La1 Se2 La1 84.38(4) 1_545 .
Cu1 Se2 Cu2 60.34(11) 2_645 6_657
Cu2 Se2 Cu2 39.70(11) 2_645 6_657
La2 Se2 Cu2 145.74(7) 2_645 6_657
La2 Se2 Cu2 100.80(5) 2_655 6_657
La1 Se2 Cu2 88.67(6) 1_545 6_657
La1 Se2 Cu2 49.14(6) . 6_657
Cu1 Se2 Cu2 60.34(11) 2_645 6_647
Cu2 Se2 Cu2 39.70(11) 2_645 6_647
La2 Se2 Cu2 100.80(5) 2_645 6_647
La2 Se2 Cu2 145.74(7) 2_655 6_647
La1 Se2 Cu2 49.14(6) 1_545 6_647
La1 Se2 Cu2 88.67(6) . 6_647
Cu2 Se2 Cu2 56.04(6) 6_657 6_647
Cu1 Se2 Cu1 59.93(4) 2_645 2_655
Cu2 Se2 Cu1 63.37(5) 2_645 2_655
La2 Se2 Cu1 124.11(6) 2_645 2_655
La2 Se2 Cu1 51.95(5) 2_655 2_655
La1 Se2 Cu1 137.43(6) 1_545 2_655
La1 Se2 Cu1 64.79(5) . 2_655
Cu2 Se2 Cu1 49.12(7) 6_657 2_655
Cu2 Se2 Cu1 99.13(6) 6_647 2_655
Cu1 Se2 Cu1 59.93(4) 2_645 2_635
Cu2 Se2 Cu1 63.37(5) 2_645 2_635
La2 Se2 Cu1 51.95(5) 2_645 2_635
La2 Se2 Cu1 124.11(6) 2_655 2_635
La1 Se2 Cu1 64.78(5) 1_545 2_635
La1 Se2 Cu1 137.43(6) . 2_635
Cu2 Se2 Cu1 99.13(6) 6_657 2_635
Cu2 Se2 Cu1 49.12(7) 6_647 2_635
Cu1 Se2 Cu1 119.86(8) 2_655 2_635
Cu1 Se2 Cu2 63.16(5) 2_645 2_655
Cu2 Se2 Cu2 59.69(5) 2_645 2_655
La2 Se2 Cu2 136.63(7) 2_645 2_655
La2 Se2 Cu2 63.43(6) 2_655 2_655
La1 Se2 Cu2 124.60(7) 1_545 2_655
La1 Se2 Cu2 53.72(6) . 2_655
Cu2 Se2 Cu2 37.45(9) 6_657 2_655
Cu2 Se2 Cu2 90.99(4) 6_647 2_655
Cu1 Se2 Cu2 13.26(7) 2_655 2_655
Cu1 Se2 Cu2 121.39(6) 2_635 2_655
Cu1 Se2 Cu2 63.16(5) 2_645 2_635
Cu2 Se2 Cu2 59.69(5) 2_645 2_635
La2 Se2 Cu2 63.43(6) 2_645 2_635
La2 Se2 Cu2 136.63(7) 2_655 2_635
La1 Se2 Cu2 53.72(6) 1_545 2_635
La1 Se2 Cu2 124.60(7) . 2_635
Cu2 Se2 Cu2 90.99(4) 6_657 2_635
Cu2 Se2 Cu2 37.45(9) 6_647 2_635
Cu1 Se2 Cu2 121.39(6) 2_655 2_635
Cu1 Se2 Cu2 13.26(7) 2_635 2_635
Cu2 Se2 Cu2 119.38(9) 2_655 2_635
Cu1 Se3 Yb1 73.51(7) . .
Cu1 Se3 Yb1 73.50(7) . 1_545
Yb1 Se3 Yb1 89.57(5) . 1_545
Cu1 Se3 La2 81.31(7) . .
Yb1 Se3 La2 88.51(2) . .
Yb1 Se3 La2 154.22(6) 1_545 .
Cu1 Se3 La2 81.31(7) . 1_545
Yb1 Se3 La2 154.22(6) . 1_545
Yb1 Se3 La2 88.51(2) 1_545 1_545
La2 Se3 La2 82.23(4) . 1_545
Cu1 Se3 La2 164.15(10) . 5_756
Yb1 Se3 La2 95.48(4) . 5_756
Yb1 Se3 La2 95.48(4) 1_545 5_756
La2 Se3 La2 110.30(4) . 5_756
La2 Se3 La2 110.30(4) 1_545 5_756
Cu1 Se3 Cu2 2.85(10) . .
Yb1 Se3 Cu2 75.45(6) . .
Yb1 Se3 Cu2 75.45(6) 1_545 .
La2 Se3 Cu2 79.19(6) . .
La2 Se3 Cu2 79.18(6) 1_545 .
La2 Se3 Cu2 167.00(8) 5_756 .
Cu1 Se3 Cu1 57.86(4) . 1_545
Yb1 Se3 Cu1 116.45(6) . 1_545
Yb1 Se3 Cu1 41.62(5) 1_545 1_545
La2 Se3 Cu1 118.45(6) . 1_545
La2 Se3 Cu1 50.42(4) 1_545 1_545
La2 Se3 Cu1 120.78(4) 5_756 1_545
Cu2 Se3 Cu1 57.91(4) . 1_545
Cu1 Se3 Cu1 57.86(4) . 1_565
Yb1 Se3 Cu1 41.62(5) . 1_565
Yb1 Se3 Cu1 116.45(6) 1_545 1_565
La2 Se3 Cu1 50.42(4) . 1_565
La2 Se3 Cu1 118.45(6) 1_545 1_565
La2 Se3 Cu1 120.78(4) 5_756 1_565
Cu2 Se3 Cu1 57.91(4) . 1_565
Cu1 Se3 Cu1 115.72(8) 1_545 1_565
Cu1 Se3 Cu2 48.31(4) . 1_545
Yb1 Se3 Cu2 110.99(6) . 1_545
Yb1 Se3 Cu2 46.15(5) 1_545 1_545
La2 Se3 Cu2 111.44(6) . 1_545
La2 Se3 Cu2 52.01(5) 1_545 1_545
La2 Se3 Cu2 130.46(4) 5_756 1_545
Cu2 Se3 Cu2 48.24(4) . 1_545
Cu1 Se3 Cu2 9.77(5) 1_545 1_545
Cu1 Se3 Cu2 106.13(6) 1_565 1_545
Cu1 Se3 Cu2 48.31(4) . 1_565
Yb1 Se3 Cu2 46.15(5) . 1_565
Yb1 Se3 Cu2 110.99(6) 1_545 1_565
La2 Se3 Cu2 52.01(5) . 1_565
La2 Se3 Cu2 111.44(6) 1_545 1_565
La2 Se3 Cu2 130.46(4) 5_756 1_565
Cu2 Se3 Cu2 48.24(4) . 1_565
Cu1 Se3 Cu2 106.13(6) 1_545 1_565
Cu1 Se3 Cu2 9.77(5) 1_565 1_565
Cu2 Se3 Cu2 96.49(8) 1_545 1_565
Cu1 Se3 Cu1 154.30(4) . 5_756
Yb1 Se3 Cu1 99.56(3) . 5_756
Yb1 Se3 Cu1 131.89(5) 1_545 5_756
La2 Se3 Cu1 73.70(4) . 5_756
La2 Se3 Cu1 100.81(5) 1_545 5_756
La2 Se3 Cu1 36.94(4) 5_756 5_756
Cu2 Se3 Cu1 152.58(6) . 5_756
Cu1 Se3 Cu1 141.33(3) 1_545 5_756
Cu1 Se3 Cu1 100.25(5) 1_565 5_756
Cu2 Se3 Cu1 148.95(5) 1_545 5_756
Cu2 Se3 Cu1 109.00(4) 1_565 5_756
Cu2 Se4 Cu2 117.45(19) . 1_565
Cu2 Se4 Cu1 121.76(13) . 1_565
Cu2 Se4 Cu1 26.02(13) 1_565 1_565
Cu2 Se4 Cu1 26.02(13) . .
Cu2 Se4 Cu1 121.76(13) 1_565 .
Cu1 Se4 Cu1 112.94(15) 1_565 .
Cu2 Se4 Cu2 72.47(13) . 5_656
Cu2 Se4 Cu2 72.47(13) 1_565 5_656
Cu1 Se4 Cu2 97.71(11) 1_565 5_656
Cu1 Se4 Cu2 97.71(11) . 5_656
Cu2 Se4 Yb1 103.99(12) . .
Cu2 Se4 Yb1 103.99(12) 1_565 .
Cu1 Se4 Yb1 78.18(10) 1_565 .
Cu1 Se4 Yb1 78.18(10) . .
Cu2 Se4 Yb1 172.28(11) 5_656 .
Cu2 Se4 La1 149.21(12) . 6_567
Cu2 Se4 La1 73.40(9) 1_565 6_567
Cu1 Se4 La1 81.28(7) 1_565 6_567
Cu1 Se4 La1 164.77(9) . 6_567
Cu2 Se4 La1 85.19(8) 5_656 6_567
Yb1 Se4 La1 100.50(4) . 6_567
Cu2 Se4 La1 73.40(9) . 6_557
Cu2 Se4 La1 149.21(12) 1_565 6_557
Cu1 Se4 La1 164.77(9) 1_565 6_557
Cu1 Se4 La1 81.28(7) . 6_557
Cu2 Se4 La1 85.19(8) 5_656 6_557
Yb1 Se4 La1 100.50(4) . 6_557
La1 Se4 La1 84.08(4) 6_567 6_557
Cu2 Se4 Cu1 74.64(12) . 5_656
Cu2 Se4 Cu1 74.64(12) 1_565 5_656
Cu1 Se4 Cu1 100.27(10) 1_565 5_656
Cu1 Se4 Cu1 100.27(10) . 5_656
Cu2 Se4 Cu1 4.77(11) 5_656 5_656
Yb1 Se4 Cu1 177.06(8) . 5_656
La1 Se4 Cu1 81.66(5) 6_567 5_656
La1 Se4 Cu1 81.66(5) 6_557 5_656
Cu2 Se4 Cu2 27.91(16) . 5_646
Cu2 Se4 Cu2 124.24(7) 1_565 5_646
Cu1 Se4 Cu2 140.97(11) 1_565 5_646
Cu1 Se4 Cu2 50.67(11) . 5_646
Cu2 Se4 Cu2 57.79(5) 5_656 5_646
Yb1 Se4 Cu2 121.88(5) . 5_646
La1 Se4 Cu2 121.46(6) 6_567 5_646
La1 Se4 Cu2 52.32(5) 6_557 5_646
Cu1 Se4 Cu2 57.91(5) 5_656 5_646
Cu2 Se4 Cu2 124.24(7) . 5_666
Cu2 Se4 Cu2 27.91(16) 1_565 5_666
Cu1 Se4 Cu2 50.67(11) 1_565 5_666
Cu1 Se4 Cu2 140.97(11) . 5_666
Cu2 Se4 Cu2 57.79(5) 5_656 5_666
Yb1 Se4 Cu2 121.88(5) . 5_666
La1 Se4 Cu2 52.32(5) 6_567 5_666
La1 Se4 Cu2 121.46(6) 6_557 5_666
Cu1 Se4 Cu2 57.91(5) 5_656 5_666
Cu2 Se4 Cu2 115.58(10) 5_646 5_666
Cu2 Se4 Cu1 35.45(12) . 5_646
Cu2 Se4 Cu1 117.54(11) 1_565 5_646
Cu1 Se4 Cu1 137.84(7) 1_565 5_646
Cu1 Se4 Cu1 59.72(12) . 5_646
Cu2 Se4 Cu1 48.52(3) 5_656 5_646
Yb1 Se4 Cu1 131.59(3) . 5_646
La1 Se4 Cu1 113.82(5) 6_567 5_646
La1 Se4 Cu1 53.37(4) 6_557 5_646
Cu1 Se4 Cu1 48.34(3) 5_656 5_646
Cu2 Se4 Cu1 9.87(5) 5_646 5_646
Cu2 Se4 Cu1 106.20(7) 5_666 5_646
Yb1 Se5 Yb1 96.43(5) 1_545 .
Yb1 Se5 La2 131.77(2) 1_545 2_655
Yb1 Se5 La2 131.77(2) . 2_655
Yb1 Se5 La1 95.17(4) 1_545 6_557
Yb1 Se5 La1 95.17(4) . 6_557
La2 Se5 La1 83.75(4) 2_655 6_557
Yb1 Se5 La1 93.40(4) 1_545 .
Yb1 Se5 La1 93.40(4) . .
La2 Se5 La1 83.37(4) 2_655 .
La1 Se5 La1 167.12(5) 6_557 .
Yb1 Se5 Cu1 57.75(4) 1_545 .
Yb1 Se5 Cu1 57.75(4) . .
La2 Se5 Cu1 144.74(8) 2_655 .
La1 Se5 Cu1 60.99(6) 6_557 .
La1 Se5 Cu1 131.89(7) . .
Yb1 Se5 Cu2 64.39(5) 1_545 .
Yb1 Se5 Cu2 64.39(5) . .
La2 Se5 Cu2 131.96(7) 2_655 .
La1 Se5 Cu2 48.22(6) 6_557 .
La1 Se5 Cu2 144.66(8) . .
Cu1 Se5 Cu2 12.78(8) . .
Yb1 Se5 Cu1 140.72(5) 1_545 2_655
Yb1 Se5 Cu1 103.09(3) . 2_655
La2 Se5 Cu1 40.08(4) 2_655 2_655
La1 Se5 Cu1 116.26(5) 6_557 2_655
La1 Se5 Cu1 52.15(4) . 2_655
Cu1 Se5 Cu1 158.450(14) . 2_655
Cu2 Se5 Cu1 154.81(4) . 2_655
Yb1 Se5 Cu1 103.09(3) 1_545 2_645
Yb1 Se5 Cu1 140.72(5) . 2_645
La2 Se5 Cu1 40.08(4) 2_655 2_645
La1 Se5 Cu1 116.26(5) 6_557 2_645
La1 Se5 Cu1 52.15(4) . 2_645
Cu1 Se5 Cu1 158.450(14) . 2_645
Cu2 Se5 Cu1 154.81(4) . 2_645
Cu1 Se5 Cu1 43.08(3) 2_655 2_645
Yb1 Se5 Cu1 24.54(4) 1_545 1_545
Yb1 Se5 Cu1 100.61(5) . 1_545
La2 Se5 Cu1 123.71(4) 2_655 1_545
La1 Se5 Cu1 70.75(4) 6_557 1_545
La1 Se5 Cu1 116.99(5) . 1_545
Cu1 Se5 Cu1 47.18(3) . 1_545
Cu2 Se5 Cu1 48.48(3) . 1_545
Cu1 Se5 Cu1 154.36(4) 2_655 1_545
Cu1 Se5 Cu1 111.278(19) 2_645 1_545
Yb1 Se5 Cu1 100.61(5) 1_545 1_565
Yb1 Se5 Cu1 24.54(4) . 1_565
La2 Se5 Cu1 123.71(4) 2_655 1_565
La1 Se5 Cu1 70.75(4) 6_557 1_565
La1 Se5 Cu1 116.99(5) . 1_565
Cu1 Se5 Cu1 47.18(3) . 1_565
Cu2 Se5 Cu1 48.48(3) . 1_565
Cu1 Se5 Cu1 111.278(19) 2_655 1_565
Cu1 Se5 Cu1 154.36(4) 2_645 1_565
Cu1 Se5 Cu1 94.36(6) 1_545 1_565
Yb1 Se5 Cu2 133.25(5) 1_545 2_655
Yb1 Se5 Cu2 98.14(4) . 2_655
La2 Se5 Cu2 50.31(5) 2_655 2_655
La1 Se5 Cu2 127.16(6) 6_557 2_655
La1 Se5 Cu2 41.68(5) . 2_655
Cu1 Se5 Cu2 155.88(4) . 2_655
Cu2 Se5 Cu2 158.584(15) . 2_655
Cu1 Se5 Cu2 11.21(6) 2_655 2_655
Cu1 Se5 Cu2 44.50(3) 2_645 2_655
Cu1 Se5 Cu2 152.59(4) 1_545 2_655
Cu1 Se5 Cu2 110.67(3) 1_565 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 Se1 3.0560(12) 1_545
La1 Se1 3.0560(12) .
La1 Se2 3.0613(12) .
La1 Se2 3.0613(12) 1_565
La1 Se4 3.0701(13) 6_657
La1 Se4 3.0701(13) 6_647
La1 Se5 3.2994(18) 6_657
La1 Cu2 3.316(4) 6_657
La1 Se5 3.3571(18) .
La1 Cu1 3.635(4) 6_657
La1 Cu2 3.847(4) 2_655
La1 Cu2 3.847(4) 2_645
La2 Se2 3.0231(12) 2_644
La2 Se2 3.0231(12) 2_654
La2 Se1 3.0678(12) 5_756
La2 Se1 3.0678(12) 5_766
La2 Se3 3.1265(13) .
La2 Se3 3.1265(13) 1_565
La2 Se3 3.2154(17) 5_756
La2 Se5 3.2789(17) 2_654
La2 Cu1 3.743(3) .
La2 Cu1 3.743(3) 1_565
La2 La2 4.1119(4) 1_565
La2 La2 4.1119(4) 1_545
Yb1 Se5 2.7572(11) .
Yb1 Se5 2.7573(11) 1_565
Yb1 Se4 2.7597(16) .
Yb1 Se1 2.7830(16) .
Yb1 Se3 2.9185(12) 1_565
Yb1 Se3 2.9185(12) .
Yb1 Cu1 3.303(3) .
Yb1 Cu1 3.303(3) 1_565
Yb1 Cu2 4.076(4) .
Yb1 Cu2 4.076(4) 1_565
Yb1 Yb1 4.1119(4) 1_565
Yb1 Yb1 4.1119(4) 1_545
Cu1 Cu2 1.098(6) .
Cu1 Se2 2.380(4) 2_644
Cu1 Se4 2.466(2) .
Cu1 Se4 2.466(2) 1_545
Cu1 Se3 2.583(4) .
Cu1 Yb1 3.303(3) 1_545
Cu1 La1 3.635(4) 6_557
Cu1 Se4 3.659(4) 5_656
Cu1 La2 3.743(3) 1_545
Cu1 Cu2 3.809(6) 5_646
Cu1 Cu2 3.809(6) 5_656
Cu1 Se5 3.811(4) .
Cu1 Cu1 4.1119(4) 1_565
Cu1 Cu1 4.1119(4) 1_545
Cu2 Se2 2.404(4) 2_644
Cu2 Se4 2.405(2) .
Cu2 Se4 2.405(2) 1_545
Cu2 Se4 2.590(5) 5_656
Cu2 Cu2 2.957(7) 5_646
Cu2 Cu2 2.957(7) 5_656
Cu2 La1 3.316(4) 6_557
Cu2 Se3 3.671(5) .
Cu2 Cu1 3.809(6) 5_646
Cu2 Cu1 3.809(6) 5_656
Cu2 La1 3.847(4) 2_644
Cu2 La1 3.847(4) 2_654
Cu2 Yb1 4.076(4) 1_545
Cu2 Cu2 4.1119(4) 1_565
Se1 La1 3.0561(12) 1_565
Se1 La2 3.0677(12) 5_756
Se1 La2 3.0677(12) 5_766
Se1 Cu1 5.390(4) 5_756
Se1 Cu2 5.509(5) 2_655
Se1 Cu1 5.588(4) 1_565
Se1 Cu2 5.730(4) 6_667
Se1 Cu2 5.730(4) 6_657
Se1 Cu1 5.737(4) 6_667
Se2 Cu1 2.381(4) 2_645
Se2 Cu2 2.404(4) 2_645
Se2 La2 3.0230(12) 2_645
Se2 La2 3.0230(12) 2_655
Se2 La1 3.0613(12) 1_545
Se2 Cu2 4.376(4) 6_657
Se2 Cu2 4.376(4) 6_647
Se2 Cu1 4.751(2) 2_655
Se2 Cu1 4.751(2) 2_635
Se2 Cu2 4.763(2) 2_655
Se2 Cu2 4.763(2) 2_635
Se3 Yb1 2.9186(12) 1_545
Se3 La2 3.1265(13) 1_545
Se3 La2 3.2154(17) 5_756
Se3 Cu1 4.856(2) 1_545
Se3 Cu1 4.856(2) 1_565
Se3 Cu2 5.512(3) 1_545
Se3 Cu2 5.512(3) 1_565
Se3 Cu1 5.775(4) 5_756
Se4 Cu2 2.405(2) 1_565
Se4 Cu1 2.466(2) 1_565
Se4 Cu2 2.590(5) 5_656
Se4 La1 3.0702(13) 6_567
Se4 La1 3.0702(13) 6_557
Se4 Cu1 3.659(4) 5_656
Se4 Cu2 4.860(3) 5_646
Se4 Cu2 4.860(3) 5_666
Se4 Cu1 5.504(3) 5_646
Se5 Yb1 2.7572(11) 1_545
Se5 La2 3.2789(17) 2_655
Se5 La1 3.2994(18) 6_557
Se5 Cu1 5.599(4) 2_655
Se5 Cu1 5.599(4) 2_645
Se5 Cu1 5.606(3) 1_545
Se5 Cu1 5.606(3) 1_565
Se5 Cu2 5.641(4) 2_655
