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#$Date: 2016-03-23 14:53:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179311 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/08/4320891.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_4320891
loop_
_publ_author_name
'Olivier Tougait'
'James A. Ibers'
_publ_contact_author_address
; Department of Chemistry
  Northwestern University
  2145 Sheridan Rd.
  Evanston, IL 60208-3113, USA
;
_publ_contact_author_email       ibers@chem.nwu.edu
_publ_contact_author_fax         (847)491-2976
_publ_contact_author_name        'James A. Ibers'
_publ_contact_author_phone       (847)491-5449
_publ_section_title
;
 Ternary Rare-Earth Selenides with the U3ScS6 Structure Type: Synthesis,
 Characterization, and Some Magnetic Properties of Ln3TSe6 (Ln = Sm, Gd; T
 = In, Cr) and Tb3CrSe6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1790
_journal_page_last               1794
_journal_paper_doi               10.1021/ic9914802
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Cr Se6 Tb3'
_chemical_formula_weight         1002.52
_chemical_name_common            'triterbium chromium hexaselenide'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_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                   13.885(3)
_cell_length_b                   16.672(3)
_cell_length_c                   3.9215(8)
_cell_measurement_reflns_used    2909
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.319
_cell_measurement_theta_min      2.2305
_cell_volume                     907.8(3)
_computing_cell_refinement       'SAINT-Plus version 6.0 (Bruker, 1999)'
_computing_data_collection       'SMART version 5.054 (Bruker, 1999)'
_computing_data_reduction        'SAINT-Plus version 6.0 (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker Smart 1000 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'standard-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            5676
_diffrn_reflns_theta_full        28.77
_diffrn_reflns_theta_max         28.77
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    48.223
_exptl_absorpt_correction_T_max  0.55997
_exptl_absorpt_correction_T_min  0.05211
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed'
_exptl_crystal_colour            lustrous_black
_exptl_crystal_density_diffrn    7.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1692
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.014
_exptl_crystal_size_min          0.012
_refine_diff_density_max         3.091
_refine_diff_density_min         -2.298
_refine_diff_density_rms         0.617
_refine_ls_extinction_coef       0.00000(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   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     64
_refine_ls_number_reflns         1282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0326
_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)+(0.04Fo²)²]  
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0737
_reflns_number_gt                1109
_reflns_number_total             1282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9914802_1.cif
_cod_data_source_block           Tb3CrSe6
_cod_database_code               4320891
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-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
Tb1 Tb 0.31977(4) 0.14845(3) 0.0000 0.00754(15) Uani 1 2 d S . .
Tb2 Tb 0.55147(4) 0.27829(3) 0.0000 0.00748(15) Uani 1 2 d S . .
Tb3 Tb 0.75776(4) 0.09667(3) 0.0000 0.00864(15) Uani 1 2 d S . .
Se1 Se 0.10299(8) 0.75529(6) 0.0000 0.0073(2) Uani 1 2 d S . .
Se2 Se 0.12187(8) 0.10771(6) 0.0000 0.0074(2) Uani 1 2 d S . .
Se3 Se 0.18950(8) 0.29017(6) 0.0000 0.0075(2) Uani 1 2 d S . .
Se4 Se 0.18107(8) 0.52060(6) 0.0000 0.0079(2) Uani 1 2 d S . .
Se5 Se 0.41863(9) 0.42310(6) 0.0000 0.0079(2) Uani 1 2 d S . .
Se6 Se 0.52314(8) 0.09833(6) 0.0000 0.0080(2) Uani 1 2 d S . .
Cr1 Cr 0.0000 0.5000 0.0000 0.0066(5) Uani 1 4 d S . .
Cr2 Cr 0.0000 0.0000 0.0000 0.0062(5) 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
Cr Cr 0.3209 0.6236 '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'
Tb Tb -0.1723 4.1537 '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
_geom_angle_publ_flag
Se2 Tb1 Se1 120.92(3) . 3_545 ?
Se2 Tb1 Se1 120.92(3) . 3_544 ?
Se1 Tb1 Se1 86.64(4) 3_545 3_544 ?
Se2 Tb1 Se4 79.60(3) . 3_544 ?
Se1 Tb1 Se4 157.62(4) 3_545 3_544 ?
Se1 Tb1 Se4 89.75(3) 3_544 3_544 ?
Se2 Tb1 Se4 79.60(3) . 3_545 ?
Se1 Tb1 Se4 89.75(3) 3_545 3_545 ?
Se1 Tb1 Se4 157.62(4) 3_544 3_545 ?
Se4 Tb1 Se4 85.22(4) 3_544 3_545 ?
Se2 Tb1 Se6 149.63(4) . . ?
Se1 Tb1 Se6 79.45(3) 3_545 . ?
Se1 Tb1 Se6 79.45(3) 3_544 . ?
Se4 Tb1 Se6 78.17(3) 3_544 . ?
Se4 Tb1 Se6 78.17(3) 3_545 . ?
Se2 Tb1 Se3 66.45(3) . . ?
Se1 Tb1 Se3 74.53(3) 3_545 . ?
Se1 Tb1 Se3 74.53(3) 3_544 . ?
Se4 Tb1 Se3 125.59(3) 3_544 . ?
Se4 Tb1 Se3 125.59(3) 3_545 . ?
Se6 Tb1 Se3 143.92(4) . . ?
Se2 Tb1 Tb2 159.95(3) . . ?
Se1 Tb1 Tb2 48.75(2) 3_545 . ?
Se1 Tb1 Tb2 48.75(2) 3_544 . ?
Se4 Tb1 Tb2 114.47(3) 3_544 . ?
Se4 Tb1 Tb2 114.47(3) 3_545 . ?
Se6 Tb1 Tb2 50.42(3) . . ?
Se3 Tb1 Tb2 93.50(3) . . ?
Se2 Tb1 Tb1 90.0 . 1_554 ?
Se1 Tb1 Tb1 133.321(18) 3_545 1_554 ?
Se1 Tb1 Tb1 46.680(18) 3_544 1_554 ?
Se4 Tb1 Tb1 47.389(18) 3_544 1_554 ?
Se4 Tb1 Tb1 132.611(18) 3_545 1_554 ?
Se6 Tb1 Tb1 90.0 . 1_554 ?
Se3 Tb1 Tb1 90.0 . 1_554 ?
Tb2 Tb1 Tb1 90.0 . 1_554 ?
Se2 Tb1 Tb1 90.0 . 1_556 ?
Se1 Tb1 Tb1 46.680(18) 3_545 1_556 ?
Se1 Tb1 Tb1 133.320(18) 3_544 1_556 ?
Se4 Tb1 Tb1 132.611(18) 3_544 1_556 ?
Se4 Tb1 Tb1 47.389(18) 3_545 1_556 ?
Se6 Tb1 Tb1 90.0 . 1_556 ?
Se3 Tb1 Tb1 90.0 . 1_556 ?
Tb2 Tb1 Tb1 90.0 . 1_556 ?
Tb1 Tb1 Tb1 180.00(2) 1_554 1_556 ?
Se2 Tb2 Se2 85.07(4) 7_666 7_665 ?
Se2 Tb2 Se1 141.68(4) 7_666 3_544 ?
Se2 Tb2 Se1 83.11(3) 7_665 3_544 ?
Se2 Tb2 Se1 83.11(3) 7_666 3_545 ?
Se2 Tb2 Se1 141.68(4) 7_665 3_545 ?
Se1 Tb2 Se1 83.97(4) 3_544 3_545 ?
Se2 Tb2 Se3 65.67(3) 7_666 7_666 ?
Se2 Tb2 Se3 118.73(4) 7_665 7_666 ?
Se1 Tb2 Se3 149.72(4) 3_544 7_666 ?
Se1 Tb2 Se3 88.87(3) 3_545 7_666 ?
Se2 Tb2 Se3 118.73(4) 7_666 7_665 ?
Se2 Tb2 Se3 65.67(3) 7_665 7_665 ?
Se1 Tb2 Se3 88.87(3) 3_544 7_665 ?
Se1 Tb2 Se3 149.72(4) 3_545 7_665 ?
Se3 Tb2 Se3 82.63(3) 7_666 7_665 ?
Se2 Tb2 Se6 133.91(2) 7_666 . ?
Se2 Tb2 Se6 133.91(2) 7_665 . ?
Se1 Tb2 Se6 77.01(3) 3_544 . ?
Se1 Tb2 Se6 77.01(3) 3_545 . ?
Se3 Tb2 Se6 72.71(3) 7_666 . ?
Se3 Tb2 Se6 72.71(3) 7_665 . ?
Se2 Tb2 Se5 71.57(3) 7_666 . ?
Se2 Tb2 Se5 71.57(3) 7_665 . ?
Se1 Tb2 Se5 70.11(3) 3_544 . ?
Se1 Tb2 Se5 70.11(3) 3_545 . ?
Se3 Tb2 Se5 134.20(2) 7_666 . ?
Se3 Tb2 Se5 134.20(2) 7_665 . ?
Se6 Tb2 Se5 135.15(4) . . ?
Se2 Tb2 Tb1 130.20(2) 7_666 . ?
Se2 Tb2 Tb1 130.20(2) 7_665 . ?
Se1 Tb2 Tb1 47.15(2) 3_544 . ?
Se1 Tb2 Tb1 47.15(2) 3_545 . ?
Se3 Tb2 Tb1 108.72(3) 7_666 . ?
Se3 Tb2 Tb1 108.72(3) 7_665 . ?
Se6 Tb2 Tb1 48.60(3) . . ?
Se5 Tb2 Tb1 86.55(3) . . ?
Se2 Tb2 Tb2 47.467(18) 7_666 1_556 ?
Se2 Tb2 Tb2 132.533(18) 7_665 1_556 ?
Se1 Tb2 Tb2 131.986(19) 3_544 1_556 ?
Se1 Tb2 Tb2 48.014(19) 3_545 1_556 ?
Se3 Tb2 Tb2 48.684(17) 7_666 1_556 ?
Se3 Tb2 Tb2 131.316(17) 7_665 1_556 ?
Se6 Tb2 Tb2 90.0 . 1_556 ?
Se5 Tb2 Tb2 90.0 . 1_556 ?
Tb1 Tb2 Tb2 90.0 . 1_556 ?
Se2 Tb2 Tb2 132.533(18) 7_666 1_554 ?
Se2 Tb2 Tb2 47.467(18) 7_665 1_554 ?
Se1 Tb2 Tb2 48.014(19) 3_544 1_554 ?
Se1 Tb2 Tb2 131.986(19) 3_545 1_554 ?
Se3 Tb2 Tb2 131.316(17) 7_666 1_554 ?
Se3 Tb2 Tb2 48.684(17) 7_665 1_554 ?
Se6 Tb2 Tb2 90.0 . 1_554 ?
Se5 Tb2 Tb2 90.0 . 1_554 ?
Tb1 Tb2 Tb2 90.0 . 1_554 ?
Tb2 Tb2 Tb2 180.0 1_556 1_554 ?
Se3 Tb3 Se3 85.77(4) 7_666 7_665 ?
Se3 Tb3 Se4 139.75(4) 7_666 7_665 ?
Se3 Tb3 Se4 82.16(3) 7_665 7_665 ?
Se3 Tb3 Se4 82.16(3) 7_666 7_666 ?
Se3 Tb3 Se4 139.75(4) 7_665 7_666 ?
Se4 Tb3 Se4 82.74(3) 7_665 7_666 ?
Se3 Tb3 Se5 82.63(3) 7_666 7_666 ?
Se3 Tb3 Se5 139.83(4) 7_665 7_666 ?
Se4 Tb3 Se5 128.96(3) 7_665 7_666 ?
Se4 Tb3 Se5 76.24(3) 7_666 7_666 ?
Se3 Tb3 Se5 139.83(4) 7_666 7_665 ?
Se3 Tb3 Se5 82.63(3) 7_665 7_665 ?
Se4 Tb3 Se5 76.24(3) 7_665 7_665 ?
Se4 Tb3 Se5 128.96(3) 7_666 7_665 ?
Se5 Tb3 Se5 81.94(4) 7_666 7_665 ?
Se3 Tb3 Se1 71.79(3) 7_666 5_665 ?
Se3 Tb3 Se1 71.79(3) 7_665 5_665 ?
Se4 Tb3 Se1 137.745(19) 7_665 5_665 ?
Se4 Tb3 Se1 137.744(19) 7_666 5_665 ?
Se5 Tb3 Se1 68.05(3) 7_666 5_665 ?
Se5 Tb3 Se1 68.05(3) 7_665 5_665 ?
Se3 Tb3 Se6 70.46(3) 7_666 . ?
Se3 Tb3 Se6 70.46(3) 7_665 . ?
Se4 Tb3 Se6 69.31(3) 7_665 . ?
Se4 Tb3 Se6 69.31(3) 7_666 . ?
Se5 Tb3 Se6 138.405(19) 7_666 . ?
Se5 Tb3 Se6 138.405(19) 7_665 . ?
Se1 Tb3 Se6 127.59(3) 5_665 . ?
Se3 Tb3 Tb3 132.883(18) 7_666 1_554 ?
Se3 Tb3 Tb3 47.117(18) 7_665 1_554 ?
Se4 Tb3 Tb3 48.629(17) 7_665 1_554 ?
Se4 Tb3 Tb3 131.371(17) 7_666 1_554 ?
Se5 Tb3 Tb3 130.971(18) 7_666 1_554 ?
Se5 Tb3 Tb3 49.029(18) 7_665 1_554 ?
Se1 Tb3 Tb3 90.0 5_665 1_554 ?
Se6 Tb3 Tb3 90.0 . 1_554 ?
Se3 Tb3 Tb3 47.117(18) 7_666 1_556 ?
Se3 Tb3 Tb3 132.883(18) 7_665 1_556 ?
Se4 Tb3 Tb3 131.371(17) 7_665 1_556 ?
Se4 Tb3 Tb3 48.629(17) 7_666 1_556 ?
Se5 Tb3 Tb3 49.029(18) 7_666 1_556 ?
Se5 Tb3 Tb3 130.971(18) 7_665 1_556 ?
Se1 Tb3 Tb3 90.0 5_665 1_556 ?
Se6 Tb3 Tb3 90.0 . 1_556 ?
Tb3 Tb3 Tb3 180.000(15) 1_554 1_556 ?
Tb1 Se1 Tb1 86.64(4) 3_554 3 ?
Tb1 Se1 Tb2 84.10(2) 3_554 3_554 ?
Tb1 Se1 Tb2 144.60(4) 3 3_554 ?
Tb1 Se1 Tb2 144.60(4) 3_554 3 ?
Tb1 Se1 Tb2 84.10(2) 3 3 ?
Tb2 Se1 Tb2 83.97(4) 3_554 3 ?
Tb1 Se1 Tb3 105.02(3) 3_554 5_665 ?
Tb1 Se1 Tb3 105.02(3) 3 5_665 ?
Tb2 Se1 Tb3 110.38(3) 3_554 5_665 ?
Tb2 Se1 Tb3 110.38(3) 3 5_665 ?
Cr2 Se2 Tb1 147.19(5) . . ?
Cr2 Se2 Tb2 104.22(4) . 7_566 ?
Tb1 Se2 Tb2 99.78(3) . 7_566 ?
Cr2 Se2 Tb2 104.22(4) . 7_565 ?
Tb1 Se2 Tb2 99.78(3) . 7_565 ?
Tb2 Se2 Tb2 85.07(4) 7_566 7_565 ?
Tb3 Se3 Tb3 85.77(4) 7_566 7_565 ?
Tb3 Se3 Tb2 155.95(4) 7_566 7_565 ?
Tb3 Se3 Tb2 90.838(19) 7_565 7_565 ?
Tb3 Se3 Tb2 90.838(19) 7_566 7_566 ?
Tb3 Se3 Tb2 155.95(4) 7_565 7_566 ?
Tb2 Se3 Tb2 82.63(3) 7_565 7_566 ?
Tb3 Se3 Tb1 108.66(3) 7_566 . ?
Tb3 Se3 Tb1 108.66(3) 7_565 . ?
Tb2 Se3 Tb1 95.00(3) 7_565 . ?
Tb2 Se3 Tb1 95.00(3) 7_566 . ?
Cr1 Se4 Tb1 95.49(3) . 3 ?
Cr1 Se4 Tb1 95.49(3) . 3_554 ?
Tb1 Se4 Tb1 85.22(4) 3 3_554 ?
Cr1 Se4 Tb3 105.45(3) . 7_565 ?
Tb1 Se4 Tb3 159.06(5) 3 7_565 ?
Tb1 Se4 Tb3 92.24(2) 3_554 7_565 ?
Cr1 Se4 Tb3 105.45(3) . 7_566 ?
Tb1 Se4 Tb3 92.24(2) 3 7_566 ?
Tb1 Se4 Tb3 159.06(5) 3_554 7_566 ?
Tb3 Se4 Tb3 82.74(3) 7_565 7_566 ?
Cr2 Se5 Cr2 97.86(4) 3 3_554 ?
Cr2 Se5 Tb3 150.82(5) 3 7_565 ?
Cr2 Se5 Tb3 83.369(19) 3_554 7_565 ?
Cr2 Se5 Tb3 83.369(19) 3 7_566 ?
Cr2 Se5 Tb3 150.82(5) 3_554 7_566 ?
Tb3 Se5 Tb3 81.94(4) 7_565 7_566 ?
Cr2 Se5 Tb2 97.35(3) 3 . ?
Cr2 Se5 Tb2 97.35(3) 3_554 . ?
Tb3 Se5 Tb2 111.46(3) 7_565 . ?
Tb3 Se5 Tb2 111.46(3) 7_566 . ?
Cr1 Se6 Cr1 99.14(4) 3_544 3_545 ?
Cr1 Se6 Tb1 93.50(3) 3_544 . ?
Cr1 Se6 Tb1 93.50(3) 3_545 . ?
Cr1 Se6 Tb2 130.33(2) 3_544 . ?
Cr1 Se6 Tb2 130.33(2) 3_545 . ?
Tb1 Se6 Tb2 80.99(3) . . ?
Cr1 Se6 Tb3 96.85(3) 3_544 . ?
Cr1 Se6 Tb3 96.85(3) 3_545 . ?
Tb1 Se6 Tb3 164.00(4) . . ?
Tb2 Se6 Tb3 83.02(3) . . ?
Se4 Cr1 Se4 180.00(5) 5_565 . ?
Se4 Cr1 Se6 92.15(3) 5_565 7_565 ?
Se4 Cr1 Se6 87.85(3) . 7_565 ?
Se4 Cr1 Se6 87.85(3) 5_565 3 ?
Se4 Cr1 Se6 92.15(3) . 3 ?
Se6 Cr1 Se6 180.00(4) 7_565 3 ?
Se4 Cr1 Se6 92.15(3) 5_565 7_566 ?
Se4 Cr1 Se6 87.85(3) . 7_566 ?
Se6 Cr1 Se6 99.14(4) 7_565 7_566 ?
Se6 Cr1 Se6 80.86(4) 3 7_566 ?
Se4 Cr1 Se6 87.85(3) 5_565 3_554 ?
Se4 Cr1 Se6 92.15(3) . 3_554 ?
Se6 Cr1 Se6 80.86(4) 7_565 3_554 ?
Se6 Cr1 Se6 99.14(4) 3 3_554 ?
Se6 Cr1 Se6 180.00(4) 7_566 3_554 ?
Se2 Cr2 Se2 180.00(5) . 5 ?
Se2 Cr2 Se5 86.52(3) . 7_566 ?
Se2 Cr2 Se5 93.48(3) 5 7_566 ?
Se2 Cr2 Se5 86.52(3) . 7_565 ?
Se2 Cr2 Se5 93.48(3) 5 7_565 ?
Se5 Cr2 Se5 97.86(4) 7_566 7_565 ?
Se2 Cr2 Se5 93.48(3) . 3_544 ?
Se2 Cr2 Se5 86.52(3) 5 3_544 ?
Se5 Cr2 Se5 180.00(4) 7_566 3_544 ?
Se5 Cr2 Se5 82.14(4) 7_565 3_544 ?
Se2 Cr2 Se5 93.48(3) . 3_545 ?
Se2 Cr2 Se5 86.52(3) 5 3_545 ?
Se5 Cr2 Se5 82.14(4) 7_566 3_545 ?
Se5 Cr2 Se5 180.00(4) 7_565 3_545 ?
Se5 Cr2 Se5 97.86(4) 3_544 3_545 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 Se2 2.8305(14) . ?
Tb1 Se1 2.8579(9) 3_545 ?
Tb1 Se1 2.8579(9) 3_544 ?
Tb1 Se4 2.8962(10) 3_544 ?
Tb1 Se4 2.8962(10) 3_545 ?
Tb1 Se6 2.9449(14) . ?
Tb1 Se3 2.9755(13) . ?
Tb1 Tb2 3.8776(10) . ?
Tb1 Tb1 3.9215(8) 1_554 ?
Tb1 Tb1 3.9215(8) 1_556 ?
Tb2 Se2 2.9004(10) 7_666 ?
Tb2 Se2 2.9004(10) 7_665 ?
Tb2 Se1 2.9311(10) 3_544 ?
Tb2 Se1 2.9311(10) 3_545 ?
Tb2 Se3 2.9699(10) 7_666 ?
Tb2 Se3 2.9699(10) 7_665 ?
Tb2 Se6 3.0259(13) . ?
Tb2 Se5 3.0382(13) . ?
Tb2 Tb2 3.9215(8) 1_556 ?
Tb2 Tb2 3.9215(8) 1_554 ?
Tb3 Se3 2.8813(10) 7_666 ?
Tb3 Se3 2.8813(10) 7_665 ?
Tb3 Se4 2.9667(10) 7_665 ?
Tb3 Se4 2.9667(10) 7_666 ?
Tb3 Se5 2.9904(11) 7_666 ?
Tb3 Se5 2.9904(11) 7_665 ?
Tb3 Se1 3.1352(13) 5_665 ?
Tb3 Se6 3.2579(15) . ?
Tb3 Tb3 3.9215(8) 1_554 ?
Tb3 Tb3 3.9215(8) 1_556 ?
Se1 Tb1 2.8579(9) 3_554 ?
Se1 Tb1 2.8579(9) 3 ?
Se1 Tb2 2.9311(10) 3_554 ?
Se1 Tb2 2.9311(10) 3 ?
Se1 Tb3 3.1352(13) 5_665 ?
Se2 Cr2 2.4674(12) . ?
Se2 Tb2 2.9004(10) 7_566 ?
Se2 Tb2 2.9004(10) 7_565 ?
Se3 Tb3 2.8813(10) 7_566 ?
Se3 Tb3 2.8813(10) 7_565 ?
Se3 Tb2 2.9699(10) 7_565 ?
Se3 Tb2 2.9699(10) 7_566 ?
Se4 Cr1 2.5376(12) . ?
Se4 Tb1 2.8962(10) 3 ?
Se4 Tb1 2.8962(10) 3_554 ?
Se4 Tb3 2.9667(10) 7_565 ?
Se4 Tb3 2.9667(10) 7_566 ?
Se5 Cr2 2.6009(8) 3 ?
Se5 Cr2 2.6009(8) 3_554 ?
Se5 Tb3 2.9904(11) 7_565 ?
Se5 Tb3 2.9904(11) 7_566 ?
Se6 Cr1 2.5759(8) 3_544 ?
Se6 Cr1 2.5759(8) 3_545 ?
Cr1 Se4 2.5376(12) 5_565 ?
Cr1 Se6 2.5759(8) 7_565 ?
Cr1 Se6 2.5759(8) 3 ?
Cr1 Se6 2.5759(8) 7_566 ?
Cr1 Se6 2.5759(8) 3_554 ?
Cr2 Se2 2.4674(12) 5 ?
Cr2 Se5 2.6009(8) 7_566 ?
Cr2 Se5 2.6009(8) 7_565 ?
Cr2 Se5 2.6009(8) 3_544 ?
Cr2 Se5 2.6009(8) 3_545 ?
