#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:40:25 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179256 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/76/4317675.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_4317675
loop_
_publ_author_name
'Kwasi Mitchell'
'Christy L. Haynes'
'Adam D. McFarland'
'Richard P. Van Duyne'
'James A. Ibers'
_publ_section_title
;
 Tuning of Optical Band Gaps: Syntheses, Structures, Magnetic Properties,
 and Optical Properties of CsLnZnSe3 (Ln = Sm, Tb, Dy, Ho, Er, Tm, Yb, and
 Y)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1199
_journal_page_last               1204
_journal_paper_doi               10.1021/ic011200u
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Cs Se3 Tm Zn'
_chemical_formula_weight         604.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c 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                   4.104(3)
_cell_length_b                   15.825(13)
_cell_length_c                   10.818(9)
_cell_measurement_temperature    153(2)
_cell_volume                     702.6(10)
_computing_cell_refinement       'SMART version 5.054 (Bruker, 2000)'
_computing_data_collection       'SMART version 5.054 (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus version 6.02A (Bruker, 2000)'
_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 0.937
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'Bruker Smart 1000 CCD'
_diffrn_measurement_method       ω
_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  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3640
_diffrn_reflns_theta_full        28.62
_diffrn_reflns_theta_max         28.62
_diffrn_reflns_theta_min         2.57
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    36.474
_exptl_absorpt_correction_T_max  0.49473
_exptl_absorpt_correction_T_min  0.14064
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'faces indexed'
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    5.711
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.026
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.849
_refine_diff_density_min         -2.430
_refine_diff_density_rms         0.433
_refine_ls_extinction_coef       0.00096(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_reflns         504
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0220
_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 
 [1.00000+0.00000exp(0.00(sinθ/λ)²)]/ 
   [σ²(Fo²)+0.0000+0.0000*P+(0.0400P)²+0.0000sinθ/λ] 
 where P = 1.00000Fo² + 0.00000Fc² 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                457
_reflns_number_total             504
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011200u_6.cif
_cod_data_source_block           CsTmZnSe3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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_database_code               4317675
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tm1 Tm 0.0000 0.0000 0.0000 0.00792(19) Uani 1 4 d S . .
Cs1 Cs 0.0000 0.74130(4) 0.2500 0.0138(2) Uani 1 4 d S . .
Se1 Se 0.0000 0.38229(5) 0.05591(6) 0.0084(2) Uani 1 2 d S . .
Se2 Se 0.0000 0.05456(6) 0.2500 0.0083(2) Uani 1 4 d S . .
Zn1 Zn 0.0000 0.45985(8) 0.2500 0.0093(3) 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
Zn Zn 0.2839 1.4301 '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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tm Tm -0.3139 5.2483 '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
Se1 Tm1 Se1 180.00(3) 13 5_445 ?
Se1 Tm1 Se1 92.68(7) 13 13_455 ?
Se1 Tm1 Se1 87.32(7) 5_445 13_455 ?
Se1 Tm1 Se1 87.32(7) 13 5_545 ?
Se1 Tm1 Se1 92.68(7) 5_445 5_545 ?
Se1 Tm1 Se1 180.00(3) 13_455 5_545 ?
Se1 Tm1 Se2 89.81(3) 13 9 ?
Se1 Tm1 Se2 90.19(3) 5_445 9 ?
Se1 Tm1 Se2 89.81(3) 13_455 9 ?
Se1 Tm1 Se2 90.19(3) 5_545 9 ?
Se1 Tm1 Se2 90.19(3) 13 . ?
Se1 Tm1 Se2 89.81(3) 5_445 . ?
Se1 Tm1 Se2 90.19(3) 13_455 . ?
Se1 Tm1 Se2 89.81(3) 5_545 . ?
Se2 Tm1 Se2 180.0 9 . ?
Se1 Tm1 Zn1 98.17(5) 13 13_455 ?
Se1 Tm1 Zn1 81.83(5) 5_445 13_455 ?
Se1 Tm1 Zn1 44.14(3) 13_455 13_455 ?
Se1 Tm1 Zn1 135.86(3) 5_545 13_455 ?
Se2 Tm1 Zn1 46.37(4) 9 13_455 ?
Se2 Tm1 Zn1 133.63(4) . 13_455 ?
Se1 Tm1 Zn1 81.83(5) 13 5_545 ?
Se1 Tm1 Zn1 98.17(5) 5_445 5_545 ?
Se1 Tm1 Zn1 135.86(3) 13_455 5_545 ?
Se1 Tm1 Zn1 44.14(3) 5_545 5_545 ?
Se2 Tm1 Zn1 133.63(4) 9 5_545 ?
Se2 Tm1 Zn1 46.37(4) . 5_545 ?
Zn1 Tm1 Zn1 180.00(4) 13_455 5_545 ?
Se1 Tm1 Zn1 44.14(3) 13 13 ?
Se1 Tm1 Zn1 135.86(3) 5_445 13 ?
Se1 Tm1 Zn1 98.17(5) 13_455 13 ?
Se1 Tm1 Zn1 81.83(5) 5_545 13 ?
Se2 Tm1 Zn1 46.37(4) 9 13 ?
Se2 Tm1 Zn1 133.63(4) . 13 ?
Zn1 Tm1 Zn1 72.91(6) 13_455 13 ?
Zn1 Tm1 Zn1 107.09(6) 5_545 13 ?
Se1 Tm1 Zn1 135.86(3) 13 5_445 ?
Se1 Tm1 Zn1 44.14(3) 5_445 5_445 ?
Se1 Tm1 Zn1 81.83(5) 13_455 5_445 ?
Se1 Tm1 Zn1 98.17(5) 5_545 5_445 ?
Se2 Tm1 Zn1 133.63(4) 9 5_445 ?
Se2 Tm1 Zn1 46.37(4) . 5_445 ?
Zn1 Tm1 Zn1 107.09(6) 13_455 5_445 ?
Zn1 Tm1 Zn1 72.91(6) 5_545 5_445 ?
Zn1 Tm1 Zn1 180.00(4) 13 5_445 ?
Se2 Cs1 Se2 69.56(7) 5_455 5 ?
Se2 Cs1 Se1 144.53(3) 5_455 14_556 ?
Se2 Cs1 Se1 100.34(5) 5 14_556 ?
Se2 Cs1 Se1 100.34(5) 5_455 14_456 ?
Se2 Cs1 Se1 144.53(3) 5 14_456 ?
Se1 Cs1 Se1 67.63(6) 14_556 14_456 ?
Se2 Cs1 Se1 144.53(3) 5_455 5 ?
Se2 Cs1 Se1 100.34(5) 5 5 ?
Se1 Cs1 Se1 69.41(6) 14_556 5 ?
Se1 Cs1 Se1 105.53(6) 14_456 5 ?
Se2 Cs1 Se1 100.34(5) 5_455 5_455 ?
Se2 Cs1 Se1 144.53(3) 5 5_455 ?
Se1 Cs1 Se1 105.53(6) 14_556 5_455 ?
Se1 Cs1 Se1 69.41(6) 14_456 5_455 ?
Se1 Cs1 Se1 67.63(6) 5 5_455 ?
Se2 Cs1 Se1 65.30(3) 5_455 9_565 ?
Se2 Cs1 Se1 65.30(3) 5 9_565 ?
Se1 Cs1 Se1 142.94(3) 14_556 9_565 ?
Se1 Cs1 Se1 142.94(3) 14_456 9_565 ?
Se1 Cs1 Se1 79.50(5) 5 9_565 ?
Se1 Cs1 Se1 79.50(5) 5_455 9_565 ?
Se2 Cs1 Se1 65.30(3) 5_455 2_565 ?
Se2 Cs1 Se1 65.30(3) 5 2_565 ?
Se1 Cs1 Se1 79.50(5) 14_556 2_565 ?
Se1 Cs1 Se1 79.50(5) 14_456 2_565 ?
Se1 Cs1 Se1 142.94(3) 5 2_565 ?
Se1 Cs1 Se1 142.94(3) 5_455 2_565 ?
Se1 Cs1 Se1 118.83(6) 9_565 2_565 ?
Se2 Cs1 Zn1 175.904(17) 5_455 5 ?
Se2 Cs1 Zn1 114.54(6) 5 5 ?
Se1 Cs1 Zn1 36.45(3) 14_556 5 ?
Se1 Cs1 Zn1 76.33(5) 14_456 5 ?
Se1 Cs1 Zn1 36.45(3) 5 5 ?
Se1 Cs1 Zn1 76.33(5) 5_455 5 ?
Se1 Cs1 Zn1 115.95(3) 9_565 5 ?
Se1 Cs1 Zn1 115.95(3) 2_565 5 ?
Se2 Cs1 Zn1 114.54(6) 5_455 5_455 ?
Se2 Cs1 Zn1 175.904(17) 5 5_455 ?
Se1 Cs1 Zn1 76.33(5) 14_556 5_455 ?
Se1 Cs1 Zn1 36.45(3) 14_456 5_455 ?
Se1 Cs1 Zn1 76.33(5) 5 5_455 ?
Se1 Cs1 Zn1 36.45(3) 5_455 5_455 ?
Se1 Cs1 Zn1 115.95(3) 9_565 5_455 ?
Se1 Cs1 Zn1 115.95(3) 2_565 5_455 ?
Zn1 Cs1 Zn1 61.37(6) 5 5_455 ?
Se2 Cs1 Cs1 55.22(3) 5_455 1_455 ?
Se2 Cs1 Cs1 124.78(3) 5 1_455 ?
Se1 Cs1 Cs1 123.82(3) 14_556 1_455 ?
Se1 Cs1 Cs1 56.18(3) 14_456 1_455 ?
Se1 Cs1 Cs1 123.82(3) 5 1_455 ?
Se1 Cs1 Cs1 56.18(3) 5_455 1_455 ?
Se1 Cs1 Cs1 90.0 9_565 1_455 ?
Se1 Cs1 Cs1 90.0 2_565 1_455 ?
Zn1 Cs1 Cs1 120.68(3) 5 1_455 ?
Zn1 Cs1 Cs1 59.32(3) 5_455 1_455 ?
Se2 Cs1 Cs1 124.78(3) 5_455 1_655 ?
Se2 Cs1 Cs1 55.22(3) 5 1_655 ?
Se1 Cs1 Cs1 56.18(3) 14_556 1_655 ?
Se1 Cs1 Cs1 123.82(3) 14_456 1_655 ?
Se1 Cs1 Cs1 56.18(3) 5 1_655 ?
Se1 Cs1 Cs1 123.82(3) 5_455 1_655 ?
Se1 Cs1 Cs1 90.0 9_565 1_655 ?
Se1 Cs1 Cs1 90.0 2_565 1_655 ?
Zn1 Cs1 Cs1 59.32(3) 5 1_655 ?
Zn1 Cs1 Cs1 120.68(3) 5_455 1_655 ?
Cs1 Cs1 Cs1 180.00(4) 1_455 1_655 ?
Zn1 Se1 Tm1 81.53(4) . 5 ?
Zn1 Se1 Tm1 81.53(4) . 5_455 ?
Tm1 Se1 Tm1 92.68(7) 5 5_455 ?
Zn1 Se1 Cs1 79.27(6) . 5_445 ?
Tm1 Se1 Cs1 157.12(3) 5 5_445 ?
Tm1 Se1 Cs1 96.67(6) 5_455 5_445 ?
Zn1 Se1 Cs1 79.27(6) . 5_545 ?
Tm1 Se1 Cs1 96.67(6) 5 5_545 ?
Tm1 Se1 Cs1 157.12(3) 5_455 5_545 ?
Cs1 Se1 Cs1 67.63(6) 5_445 5_545 ?
Zn1 Se1 Cs1 179.73(4) . 9_565 ?
Tm1 Se1 Cs1 98.66(4) 5 9_565 ?
Tm1 Se1 Cs1 98.66(4) 5_455 9_565 ?
Cs1 Se1 Cs1 100.50(5) 5_445 9_565 ?
Cs1 Se1 Cs1 100.50(5) 5_545 9_565 ?
Zn1 Se2 Zn1 107.71(9) 5_445 5_545 ?
Zn1 Se2 Tm1 79.67(2) 5_445 . ?
Zn1 Se2 Tm1 79.67(2) 5_545 . ?
Zn1 Se2 Tm1 79.67(2) 5_445 2 ?
Zn1 Se2 Tm1 79.67(2) 5_545 2 ?
Tm1 Se2 Tm1 144.59(5) . 2 ?
Zn1 Se2 Cs1 160.92(4) 5_445 5_545 ?
Zn1 Se2 Cs1 91.36(7) 5_545 5_545 ?
Tm1 Se2 Cs1 104.47(2) . 5_545 ?
Tm1 Se2 Cs1 104.47(2) 2 5_545 ?
Zn1 Se2 Cs1 91.36(7) 5_445 5_445 ?
Zn1 Se2 Cs1 160.92(4) 5_545 5_445 ?
Tm1 Se2 Cs1 104.47(2) . 5_445 ?
Tm1 Se2 Cs1 104.47(2) 2 5_445 ?
Cs1 Se2 Cs1 69.56(7) 5_545 5_445 ?
Se1 Zn1 Se1 119.38(8) . 10_556 ?
Se1 Zn1 Se2 107.32(3) . 5 ?
Se1 Zn1 Se2 107.32(3) 10_556 5 ?
Se1 Zn1 Se2 107.32(3) . 5_455 ?
Se1 Zn1 Se2 107.32(3) 10_556 5_455 ?
Se2 Zn1 Se2 107.71(9) 5 5_455 ?
Se1 Zn1 Tm1 140.25(4) . 6 ?
Se1 Zn1 Tm1 54.33(4) 10_556 6 ?
Se2 Zn1 Tm1 53.96(3) 5 6 ?
Se2 Zn1 Tm1 111.80(5) 5_455 6 ?
Se1 Zn1 Tm1 54.33(4) . 5_455 ?
Se1 Zn1 Tm1 140.25(4) 10_556 5_455 ?
Se2 Zn1 Tm1 111.80(5) 5 5_455 ?
Se2 Zn1 Tm1 53.96(3) 5_455 5_455 ?
Tm1 Zn1 Tm1 158.80(4) 6 5_455 ?
Se1 Zn1 Tm1 140.25(4) . 6_455 ?
Se1 Zn1 Tm1 54.33(4) 10_556 6_455 ?
Se2 Zn1 Tm1 111.80(5) 5 6_455 ?
Se2 Zn1 Tm1 53.96(3) 5_455 6_455 ?
Tm1 Zn1 Tm1 72.91(6) 6 6_455 ?
Tm1 Zn1 Tm1 103.07(6) 5_455 6_455 ?
Se1 Zn1 Tm1 54.33(4) . 5 ?
Se1 Zn1 Tm1 140.25(4) 10_556 5 ?
Se2 Zn1 Tm1 53.96(3) 5 5 ?
Se2 Zn1 Tm1 111.80(5) 5_455 5 ?
Tm1 Zn1 Tm1 103.07(6) 6 5 ?
Tm1 Zn1 Tm1 72.91(6) 5_455 5 ?
Tm1 Zn1 Tm1 158.80(4) 6_455 5 ?
Se1 Zn1 Cs1 64.28(4) . 5_445 ?
Se1 Zn1 Cs1 64.28(4) 10_556 5_445 ?
Se2 Zn1 Cs1 156.83(4) 5 5_445 ?
Se2 Zn1 Cs1 95.46(7) 5_455 5_445 ?
Tm1 Zn1 Cs1 117.48(3) 6 5_445 ?
Tm1 Zn1 Cs1 81.66(3) 5_455 5_445 ?
Tm1 Zn1 Cs1 81.66(3) 6_455 5_445 ?
Tm1 Zn1 Cs1 117.48(3) 5 5_445 ?
Se1 Zn1 Cs1 64.28(4) . 5_545 ?
Se1 Zn1 Cs1 64.28(4) 10_556 5_545 ?
Se2 Zn1 Cs1 95.46(7) 5 5_545 ?
Se2 Zn1 Cs1 156.83(4) 5_455 5_545 ?
Tm1 Zn1 Cs1 81.66(3) 6 5_545 ?
Tm1 Zn1 Cs1 117.48(3) 5_455 5_545 ?
Tm1 Zn1 Cs1 117.48(3) 6_455 5_545 ?
Tm1 Zn1 Cs1 81.66(3) 5 5_545 ?
Cs1 Zn1 Cs1 61.37(6) 5_445 5_545 ?
Se1 Zn1 Cs1 120.31(4) . . ?
Se1 Zn1 Cs1 120.31(4) 10_556 . ?
Se2 Zn1 Cs1 53.86(4) 5 . ?
Se2 Zn1 Cs1 53.86(4) 5_455 . ?
Tm1 Zn1 Cs1 79.40(2) 6 . ?
Tm1 Zn1 Cs1 79.40(2) 5_455 . ?
Tm1 Zn1 Cs1 79.40(2) 6_455 . ?
Tm1 Zn1 Cs1 79.40(2) 5 . ?
Cs1 Zn1 Cs1 149.32(3) 5_445 . ?
Cs1 Zn1 Cs1 149.32(3) 5_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
Tm1 Se1 2.8368(17) 13 ?
Tm1 Se1 2.8368(17) 5_445 ?
Tm1 Se1 2.8368(17) 13_455 ?
Tm1 Se1 2.8368(17) 5_545 ?
Tm1 Se2 2.839(2) 9 ?
Tm1 Se2 2.839(2) . ?
Tm1 Zn1 3.454(2) 13_455 ?
Tm1 Zn1 3.454(2) 5_545 ?
Tm1 Zn1 3.454(2) 13 ?
Tm1 Zn1 3.454(2) 5_445 ?
Cs1 Se2 3.598(2) 5_455 ?
Cs1 Se2 3.598(2) 5 ?
Cs1 Se1 3.6876(19) 14_556 ?
Cs1 Se1 3.6876(19) 14_456 ?
Cs1 Se1 3.6876(19) 5 ?
Cs1 Se1 3.6876(19) 5_455 ?
Cs1 Se1 3.844(3) 9_565 ?
Cs1 Se1 3.844(3) 2_565 ?
Cs1 Zn1 4.022(3) 5 ?
Cs1 Zn1 4.022(3) 5_455 ?
Cs1 Cs1 4.104(3) 1_455 ?
Cs1 Cs1 4.104(3) 1_655 ?
Se1 Zn1 2.4320(18) . ?
Se1 Tm1 2.8368(17) 5 ?
Se1 Tm1 2.8368(17) 5_455 ?
Se1 Cs1 3.6876(19) 5_445 ?
Se1 Cs1 3.6876(19) 5_545 ?
Se1 Cs1 3.844(3) 9_565 ?
Se2 Zn1 2.5413(18) 5_445 ?
Se2 Zn1 2.5413(18) 5_545 ?
Se2 Tm1 2.839(2) 2 ?
Se2 Cs1 3.598(2) 5_545 ?
Se2 Cs1 3.598(2) 5_445 ?
Zn1 Se1 2.4320(18) 10_556 ?
Zn1 Se2 2.5413(18) 5 ?
Zn1 Se2 2.5413(18) 5_455 ?
Zn1 Tm1 3.454(2) 6 ?
Zn1 Tm1 3.454(2) 5_455 ?
Zn1 Tm1 3.454(2) 6_455 ?
Zn1 Tm1 3.454(2) 5 ?
Zn1 Cs1 4.022(3) 5_445 ?
Zn1 Cs1 4.022(3) 5_545 ?
