#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:25:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179376 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/73/4327372.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_4327372
loop_
_publ_author_name
'Patrick Gougeon'
'Michel Potel'
'Régis Gautier'
_publ_section_title
;
 Syntheses and Structural, Physical, and Theoretical Studies of the Novel
 Isostructural Mo9 Cluster Compounds Ag2.6CsMo9Se11, Ag4.1ClMo9Se11, and
 h-Mo9Se11 with Tunnel Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1257
_journal_page_last               1263
_journal_paper_doi               10.1021/ic035319+
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Ag4.13 Cl Mo9 Se11'
_chemical_formula_weight         2212.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/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                120.00
_cell_formula_units_Z            2
_cell_length_a                   10.0321(2)
_cell_length_b                   10.0321(2)
_cell_length_c                   11.8734(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1034.88(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0789
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            55700
_diffrn_reflns_theta_full        50.37
_diffrn_reflns_theta_max         50.37
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    28.515
_exptl_crystal_density_diffrn    7.102
_exptl_crystal_F_000             1926
_refine_diff_density_max         2.309
_refine_diff_density_min         -2.827
_refine_diff_density_rms         0.372
_refine_ls_extinction_coef       0.00116(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         3788
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0206P)²+7.0185P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0761
_reflns_number_gt                3368
_reflns_number_total             3788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0353192Bsi20031114_084019_2.cif
_cod_data_source_block           ag4.1ClMo9Se11
_cod_database_code               4327372
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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
Mo1 Mo 0.17498(3) 0.52369(2) 0.562161(18) 0.00773(4) Uani 1 1 d .
Mo2 Mo 0.18286(3) 0.67984(4) 0.7500 0.00696(4) Uani 1 2 d S
Se1 Se 0.05098(3) 0.70076(3) 0.56251(3) 0.01038(5) Uani 1 1 d .
Se2 Se 0.02588(5) 0.38529(5) 0.7500 0.01019(6) Uani 1 2 d S
Se3 Se 0.3333 0.6667 0.10928(4) 0.01405(9) Uani 1 3 d S
Ag1 Ag 0.1383(2) 0.3862(4) 0.2500 0.0376(5) Uani 0.426(4) 2 d SP
Ag2 Ag 0.10159(17) 0.3048(3) 0.2500 0.0381(4) Uani 0.574(4) 2 d SP
Ag3 Ag -0.1326(7) -0.0207(5) 0.0934(5) 0.0511(19) Uani 0.105(2) 1 d P
Ag4 Ag 0.0000 0.0000 0.0000 0.143(4) Uani 0.505(9) 6 d SP
Cl1 Cl 0.0000 0.0000 0.2119(6) 0.0470(14) Uani 0.50 3 d SP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
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
Se3 Mo1 Se1 90.312(10) 10_556 2_665
Se3 Mo1 Mo1 58.830(7) 10_556 2_665
Se1 Mo1 Mo1 60.399(12) 2_665 2_665
Se3 Mo1 Mo1 58.830(7) 10_556 3_565
Se1 Mo1 Mo1 120.399(12) 2_665 3_565
Mo1 Mo1 Mo1 60.0 2_665 3_565
Se3 Mo1 Se1 89.619(10) 10_556 .
Se1 Mo1 Se1 179.596(14) 2_665 .
Mo1 Mo1 Se1 119.240(12) 2_665 .
Mo1 Mo1 Se1 59.240(12) 3_565 .
Se3 Mo1 Se2 176.161(14) 10_556 .
Se1 Mo1 Se2 88.965(13) 2_665 .
Mo1 Mo1 Se2 117.667(10) 2_665 .
Mo1 Mo1 Se2 118.507(10) 3_565 .
Se1 Mo1 Se2 91.078(13) . .
Se3 Mo1 Se1 93.372(12) 10_556 7_566
Se1 Mo1 Se1 85.774(14) 2_665 7_566
Mo1 Mo1 Se1 133.437(12) 2_665 7_566
Mo1 Mo1 Se1 139.141(11) 3_565 7_566
Se1 Mo1 Se1 94.628(11) . 7_566
Se2 Mo1 Se1 90.336(11) . 7_566
Se3 Mo1 Mo2 120.348(12) 10_556 .
Se1 Mo1 Mo2 120.122(12) 2_665 .
Mo1 Mo1 Mo2 91.403(8) 2_665 .
Mo1 Mo1 Mo2 61.519(9) 3_565 .
Se1 Mo1 Mo2 59.596(10) . .
Se2 Mo1 Mo2 57.059(11) . .
Se1 Mo1 Mo2 134.770(12) 7_566 .
Se3 Mo1 Mo2 119.436(12) 10_556 2_665
Se1 Mo1 Mo2 59.641(10) 2_665 2_665
Mo1 Mo1 Mo2 60.606(9) 2_665 2_665
Mo1 Mo1 Mo2 90.872(8) 3_565 2_665
Se1 Mo1 Mo2 120.069(12) . 2_665
Se2 Mo1 Mo2 57.080(11) . 2_665
Se1 Mo1 Mo2 129.956(12) 7_566 2_665
Mo2 Mo1 Mo2 60.497(11) . 2_665
Se3 Mo1 Mo1 92.242(10) 10_556 7_566
Se1 Mo1 Mo1 132.250(13) 2_665 7_566
Mo1 Mo1 Mo1 150.364(9) 2_665 7_566
Mo1 Mo1 Mo1 101.139(13) 3_565 7_566
Se1 Mo1 Mo1 48.152(8) . 7_566
Se2 Mo1 Mo1 91.035(12) . 7_566
Se1 Mo1 Mo1 46.476(8) 7_566 7_566
Mo2 Mo1 Mo1 99.101(11) . 7_566
Mo2 Mo1 Mo1 147.612(13) 2_665 7_566
Se2 Mo2 Se2 175.598(16) . 3_565
Se2 Mo2 Se1 92.752(11) . .
Se2 Mo2 Se1 89.636(11) 3_565 .
Se2 Mo2 Se1 92.752(11) . 10_557
Se2 Mo2 Se1 89.636(11) 3_565 10_557
Se1 Mo2 Se1 114.225(17) . 10_557
Se2 Mo2 Mo1 60.562(8) . .
Se2 Mo2 Mo1 117.943(9) 3_565 .
Se1 Mo2 Mo1 58.802(9) . .
Se1 Mo2 Mo1 150.153(15) 10_557 .
Se2 Mo2 Mo1 60.562(8) . 10_557
Se2 Mo2 Mo1 117.943(9) 3_565 10_557
Se1 Mo2 Mo1 150.153(15) . 10_557
Se1 Mo2 Mo1 58.802(9) 10_557 10_557
Mo1 Mo2 Mo1 111.151(15) . 10_557
Se2 Mo2 Mo1 118.367(9) . 12_567
Se2 Mo2 Mo1 60.088(8) 3_565 12_567
Se1 Mo2 Mo1 147.104(16) . 12_567
Se1 Mo2 Mo1 57.754(9) 10_557 12_567
Mo1 Mo2 Mo1 144.799(13) . 12_567
Mo1 Mo2 Mo1 57.875(9) 10_557 12_567
Se2 Mo2 Mo1 118.367(9) . 3_565
Se2 Mo2 Mo1 60.088(8) 3_565 3_565
Se1 Mo2 Mo1 57.754(9) . 3_565
Se1 Mo2 Mo1 147.104(16) 10_557 3_565
Mo1 Mo2 Mo1 57.875(9) . 3_565
Mo1 Mo2 Mo1 144.799(13) 10_557 3_565
Mo1 Mo2 Mo1 109.699(15) 12_567 3_565
Se2 Mo2 Mo2 118.025(17) . 3_565
Se2 Mo2 Mo2 57.573(16) 3_565 3_565
Se1 Mo2 Mo2 117.058(11) . 3_565
Se1 Mo2 Mo2 117.058(11) 10_557 3_565
Mo1 Mo2 Mo2 89.103(8) . 3_565
Mo1 Mo2 Mo2 89.103(8) 10_557 3_565
Mo1 Mo2 Mo2 59.319(9) 12_567 3_565
Mo1 Mo2 Mo2 59.319(9) 3_565 3_565
Se2 Mo2 Mo2 58.025(17) . 2_665
Se2 Mo2 Mo2 117.573(16) 3_565 2_665
Se1 Mo2 Mo2 118.962(11) . 2_665
Se1 Mo2 Mo2 118.962(11) 10_557 2_665
Mo1 Mo2 Mo2 60.184(9) . 2_665
Mo1 Mo2 Mo2 60.184(9) 10_557 2_665
Mo1 Mo2 Mo2 88.612(7) 12_567 2_665
Mo1 Mo2 Mo2 88.612(7) 3_565 2_665
Mo2 Mo2 Mo2 60.0 3_565 2_665
Se2 Mo2 Ag2 90.43(5) . 7_566
Se2 Mo2 Ag2 93.97(5) 3_565 7_566
Se1 Mo2 Ag2 57.234(9) . 7_566
Se1 Mo2 Ag2 57.234(9) 10_557 7_566
Mo1 Mo2 Ag2 106.44(3) . 7_566
Mo1 Mo2 Ag2 106.44(3) 10_557 7_566
Mo1 Mo2 Ag2 108.76(3) 12_567 7_566
Mo1 Mo2 Ag2 108.76(3) 3_565 7_566
Mo2 Mo2 Ag2 151.54(6) 3_565 7_566
Mo2 Mo2 Ag2 148.46(6) 2_665 7_566
Se2 Mo2 Ag1 76.60(6) . 7_566
Se2 Mo2 Ag1 107.81(6) 3_565 7_566
Se1 Mo2 Ag1 59.002(16) . 7_566
Se1 Mo2 Ag1 59.002(16) 10_557 7_566
Mo1 Mo2 Ag1 99.08(4) . 7_566
Mo1 Mo2 Ag1 99.08(4) 10_557 7_566
Mo1 Mo2 Ag1 115.24(3) 12_567 7_566
Mo1 Mo2 Ag1 115.24(3) 3_565 7_566
Mo2 Mo2 Ag1 165.38(7) 3_565 7_566
Mo2 Mo2 Ag1 134.62(7) 2_665 7_566
Ag2 Mo2 Ag1 13.84(4) 7_566 7_566
Mo1 Se1 Mo1 60.361(12) 3_565 .
Mo1 Se1 Mo2 62.605(10) 3_565 .
Mo1 Se1 Mo2 61.602(10) . .
Mo1 Se1 Ag2 121.17(3) 3_565 7_566
Mo1 Se1 Ag2 116.40(4) . 7_566
Mo2 Se1 Ag2 66.69(2) . 7_566
Mo1 Se1 Mo1 133.105(13) 3_565 7_566
Mo1 Se1 Mo1 85.372(11) . 7_566
Mo2 Se1 Mo1 129.664(14) . 7_566
Ag2 Se1 Mo1 101.82(4) 7_566 7_566
Mo1 Se1 Ag3 99.42(10) 3_565 11_566
Mo1 Se1 Ag3 135.16(15) . 11_566
Mo2 Se1 Ag3 147.79(13) . 11_566
Ag2 Se1 Ag3 108.32(15) 7_566 11_566
Mo1 Se1 Ag3 82.41(12) 7_566 11_566
Mo1 Se1 Ag1 126.53(3) 3_565 7_566
Mo1 Se1 Ag1 105.67(5) . 7_566
Mo2 Se1 Ag1 65.84(2) . 7_566
Ag2 Se1 Ag1 14.83(4) 7_566 7_566
Mo1 Se1 Ag1 91.17(5) 7_566 7_566
Ag3 Se1 Ag1 117.52(14) 11_566 7_566
Mo1 Se1 Ag3 124.76(12) 3_565 6_565
Mo1 Se1 Ag3 170.98(15) . 6_565
Mo2 Se1 Ag3 112.86(12) . 6_565
Ag2 Se1 Ag3 54.89(15) 7_566 6_565
Mo1 Se1 Ag3 94.03(10) 7_566 6_565
Ag3 Se1 Ag3 53.4(3) 11_566 6_565
Ag1 Se1 Ag3 65.33(16) 7_566 6_565
Mo1 Se1 Ag3 81.32(12) 3_565 4_565
Mo1 Se1 Ag3 141.04(13) . 4_565
Mo2 Se1 Ag3 96.03(15) . 4_565
Ag2 Se1 Ag3 76.21(11) 7_566 4_565
Mo1 Se1 Ag3 130.11(14) 7_566 4_565
Ag3 Se1 Ag3 53.1(3) 11_566 4_565
Ag1 Se1 Ag3 90.95(11) 7_566 4_565
Ag3 Se1 Ag3 43.5(2) 6_565 4_565
Mo2 Se2 Mo2 64.402(16) . 2_665
Mo2 Se2 Ag2 162.64(6) . 9_556
Mo2 Se2 Ag2 132.96(6) 2_665 9_556
Mo2 Se2 Ag1 147.09(7) . 9_556
Mo2 Se2 Ag1 148.51(7) 2_665 9_556
Ag2 Se2 Ag1 15.55(5) 9_556 9_556
Mo2 Se2 Mo1 62.380(9) . 10_557
Mo2 Se2 Mo1 62.832(9) 2_665 10_557
Ag2 Se2 Mo1 121.823(13) 9_556 10_557
Ag1 Se2 Mo1 122.931(9) 9_556 10_557
Mo2 Se2 Mo1 62.380(9) . .
Mo2 Se2 Mo1 62.832(9) 2_665 .
Ag2 Se2 Mo1 121.823(13) 9_556 .
Ag1 Se2 Mo1 122.930(9) 9_556 .
Mo1 Se2 Mo1 114.117(17) 10_557 .
Mo1 Se3 Mo1 62.340(14) 10_556 12_566
Mo1 Se3 Mo1 62.340(14) 10_556 11_666
Mo1 Se3 Mo1 62.340(14) 12_566 11_666
Mo1 Se3 Ag1 120.80(4) 10_556 3_565
Mo1 Se3 Ag1 89.21(3) 12_566 3_565
Mo1 Se3 Ag1 147.03(2) 11_666 3_565
Mo1 Se3 Ag1 147.03(2) 10_556 2_665
Mo1 Se3 Ag1 120.80(4) 12_566 2_665
Mo1 Se3 Ag1 89.21(3) 11_666 2_665
Ag1 Se3 Ag1 92.08(5) 3_565 2_665
Mo1 Se3 Ag1 89.21(3) 10_556 .
Mo1 Se3 Ag1 147.03(2) 12_566 .
Mo1 Se3 Ag1 120.80(4) 11_666 .
Ag1 Se3 Ag1 92.08(5) 3_565 .
Ag1 Se3 Ag1 92.08(5) 2_665 .
Ag2 Ag1 Se2 81.66(18) . 8_556
Ag2 Ag1 Se1 75.97(10) . 4_564
Se2 Ag1 Se1 120.13(5) 8_556 4_564
Ag2 Ag1 Se1 75.97(10) . 7_566
Se2 Ag1 Se1 120.13(5) 8_556 7_566
Se1 Ag1 Se1 107.03(6) 4_564 7_566
Ag2 Ag1 Mo2 82.03(16) . 7_566
Se2 Ag1 Mo2 163.68(13) 8_556 7_566
Se1 Ag1 Mo2 55.16(3) 4_564 7_566
Se1 Ag1 Mo2 55.16(3) 7_566 7_566
Ag2 Ag1 Se3 143.05(8) . 10_556
Se2 Ag1 Se3 83.67(5) 8_556 10_556
Se1 Ag1 Se3 139.90(10) 4_564 10_556
Se1 Ag1 Se3 82.58(4) 7_566 10_556
Mo2 Ag1 Se3 109.71(7) 7_566 10_556
Ag2 Ag1 Se3 143.05(8) . .
Se2 Ag1 Se3 83.67(5) 8_556 .
Se1 Ag1 Se3 82.58(4) 4_564 .
Se1 Ag1 Se3 139.90(10) 7_566 .
Mo2 Ag1 Se3 109.71(7) 7_566 .
Se3 Ag1 Se3 67.55(7) 10_556 .
Ag2 Ag1 Ag3 42.35(12) . 3
Se2 Ag1 Ag3 66.89(12) 8_556 3
Se1 Ag1 Ag3 59.19(11) 4_564 3
Se1 Ag1 Ag3 117.84(14) 7_566 3
Mo2 Ag1 Ag3 100.55(12) 7_566 3
Se3 Ag1 Ag3 149.67(11) 10_556 3
Se3 Ag1 Ag3 100.73(9) . 3
Ag2 Ag1 Ag3 42.35(12) . 12_556
Se2 Ag1 Ag3 66.89(12) 8_556 12_556
Se1 Ag1 Ag3 117.84(14) 4_564 12_556
Se1 Ag1 Ag3 59.19(11) 7_566 12_556
Mo2 Ag1 Ag3 100.55(12) 7_566 12_556
Se3 Ag1 Ag3 100.73(9) 10_556 12_556
Se3 Ag1 Ag3 149.67(11) . 12_556
Ag3 Ag1 Ag3 75.0(2) 3 12_556
Ag1 Ag2 Ag3 126.96(14) . 3
Ag1 Ag2 Ag3 126.96(14) . 12_556
Ag3 Ag2 Ag3 92.5(2) 3 12_556
Ag1 Ag2 Se2 82.80(17) . 8_556
Ag3 Ag2 Se2 74.70(13) 3 8_556
Ag3 Ag2 Se2 74.70(13) 12_556 8_556
Ag1 Ag2 Se1 89.20(10) . 4_564
Ag3 Ag2 Se1 66.51(12) 3 4_564
Ag3 Ag2 Se1 142.95(15) 12_556 4_564
Se2 Ag2 Se1 123.60(2) 8_556 4_564
Ag1 Ag2 Se1 89.20(10) . 7_566
Ag3 Ag2 Se1 142.95(15) 3 7_566
Ag3 Ag2 Se1 66.51(12) 12_556 7_566
Se2 Ag2 Se1 123.60(2) 8_556 7_566
Se1 Ag2 Se1 111.92(4) 4_564 7_566
Ag1 Ag2 Cl1 167.82(16) . .
Ag3 Ag2 Cl1 41.23(17) 3 .
Ag3 Ag2 Cl1 59.12(17) 12_556 .
Se2 Ag2 Cl1 89.57(5) 8_556 .
Se1 Ag2 Cl1 87.13(13) 4_564 .
Se1 Ag2 Cl1 102.95(13) 7_566 .
Ag1 Ag2 Cl1 167.82(16) . 10_556
Ag3 Ag2 Cl1 59.12(17) 3 10_556
Ag3 Ag2 Cl1 41.23(17) 12_556 10_556
Se2 Ag2 Cl1 89.57(5) 8_556 10_556
Se1 Ag2 Cl1 102.95(13) 4_564 10_556
Se1 Ag2 Cl1 87.13(13) 7_566 10_556
Cl1 Ag2 Cl1 19.0(3) . 10_556
Ag1 Ag2 Mo2 84.13(16) . 7_566
Ag3 Ag2 Mo2 113.68(13) 3 7_566
Ag3 Ag2 Mo2 113.68(13) 12_556 7_566
Se2 Ag2 Mo2 166.93(11) 8_556 7_566
Se1 Ag2 Mo2 56.078(18) 4_564 7_566
Se1 Ag2 Mo2 56.078(18) 7_566 7_566
Cl1 Ag2 Mo2 103.32(6) . 7_566
Cl1 Ag2 Mo2 103.32(6) 10_556 7_566
Ag4 Ag3 Cl1 90.4(3) . .
Ag4 Ag3 Ag3 49.81(12) . 3
Cl1 Ag3 Ag3 55.1(2) . 3
Ag4 Ag3 Ag3 49.81(12) . 2
Cl1 Ag3 Ag3 55.1(2) . 2
Ag3 Ag3 Ag3 60.0 3 2
Ag4 Ag3 Ag3 40.19(12) . 9
Cl1 Ag3 Ag3 119.6(2) . 9
Ag3 Ag3 Ag3 90.0 3 9
Ag3 Ag3 Ag3 65.01(12) 2 9
Ag4 Ag3 Ag3 40.19(12) . 8
Cl1 Ag3 Ag3 119.6(2) . 8
Ag3 Ag3 Ag3 65.01(12) 3 8
Ag3 Ag3 Ag3 90.0 2 8
Ag3 Ag3 Ag3 50.0(2) 9 8
Ag4 Ag3 Ag2 141.3(3) . 2
Cl1 Ag3 Ag2 73.9(2) . 2
Ag3 Ag3 Ag2 129.00(13) 3 2
Ag3 Ag3 Ag2 93.8(2) 2 2
Ag3 Ag3 Ag2 119.36(18) 9 2
Ag3 Ag3 Ag2 165.1(2) 8 2
Ag4 Ag3 Cl1 103.6(2) . 10_556
Cl1 Ag3 Cl1 13.2(2) . 10_556
Ag3 Ag3 Cl1 65.84(14) 3 10_556
Ag3 Ag3 Cl1 65.84(14) 2 10_556
Ag3 Ag3 Cl1 130.84(19) 9 10_556
Ag3 Ag3 Cl1 130.84(19) 8 10_556
Ag2 Ag3 Cl1 63.47(15) 2 10_556
Ag4 Ag3 Se1 96.1(2) . 12_456
Cl1 Ag3 Se1 173.5(4) . 12_456
Ag3 Ag3 Se1 129.5(2) 3 12_456
Ag3 Ag3 Se1 130.4(2) 2 12_456
Ag3 Ag3 Se1 66.5(2) 9 12_456
Ag3 Ag3 Se1 65.8(2) 8 12_456
Ag2 Ag3 Se1 101.2(2) 2 12_456
Cl1 Ag3 Se1 160.3(3) 10_556 12_456
Ag4 Ag3 Se1 91.6(2) . 5_444
Cl1 Ag3 Se1 101.24(19) . 5_444
Ag3 Ag3 Se1 128.4(3) 3 5_444
Ag3 Ag3 Se1 68.9(3) 2 5_444
Ag3 Ag3 Se1 60.76(15) 9 5_444
Ag3 Ag3 Se1 109.9(2) 8 5_444
Ag2 Ag3 Se1 58.60(11) 2 5_444
Cl1 Ag3 Se1 100.55(16) 10_556 5_444
Se1 Ag3 Se1 79.37(12) 12_456 5_444
Ag4 Ag3 Se1 90.7(2) . 4_564
Cl1 Ag3 Se1 100.34(18) . 4_564
Ag3 Ag3 Se1 67.6(2) 3 4_564
Ag3 Ag3 Se1 127.1(2) 2 4_564
Ag3 Ag3 Se1 109.7(2) 9 4_564
Ag3 Ag3 Se1 60.38(15) 8 4_564
Ag2 Ag3 Se1 126.4(3) 2 4_564
Cl1 Ag3 Se1 99.89(15) 10_556 4_564
Se1 Ag3 Se1 78.92(12) 12_456 4_564
Se1 Ag3 Se1 158.29(18) 5_444 4_564
Ag4 Ag3 Ag1 144.6(2) . 2
Cl1 Ag3 Ag1 84.6(3) . 2
Ag3 Ag3 Ag1 139.62(12) 3 2
Ag3 Ag3 Ag1 100.9(2) 2 2
Ag3 Ag3 Ag1 115.05(17) 9 2
Ag3 Ag3 Ag1 155.1(2) 8 2
Ag2 Ag3 Ag1 10.69(4) 2 2
Cl1 Ag3 Ag1 73.91(17) 10_556 2
Se1 Ag3 Ag1 90.48(17) 12_456 2
Se1 Ag3 Ag1 55.48(10) 5_444 2
Se1 Ag3 Ag1 124.7(2) 4_564 2
Ag3 Ag4 Ag3 180.0(6) 3 9
Ag3 Ag4 Ag3 99.6(2) 3 7
Ag3 Ag4 Ag3 80.4(2) 9 7
Ag3 Ag4 Ag3 99.6(2) 3 8
Ag3 Ag4 Ag3 80.4(2) 9 8
Ag3 Ag4 Ag3 80.4(2) 7 8
Ag3 Ag4 Ag3 80.4(2) 3 .
Ag3 Ag4 Ag3 99.6(2) 9 .
Ag3 Ag4 Ag3 180.0(5) 7 .
Ag3 Ag4 Ag3 99.6(2) 8 .
Ag3 Ag4 Ag3 80.4(2) 3 2
Ag3 Ag4 Ag3 99.6(2) 9 2
Ag3 Ag4 Ag3 99.6(2) 7 2
Ag3 Ag4 Ag3 180.0(6) 8 2
Ag3 Ag4 Ag3 80.4(2) . 2
Ag3 Ag4 Cl1 131.82(16) 3 7
Ag3 Ag4 Cl1 48.18(16) 9 7
Ag3 Ag4 Cl1 48.18(16) 7 7
Ag3 Ag4 Cl1 48.18(16) 8 7
Ag3 Ag4 Cl1 131.82(16) . 7
Ag3 Ag4 Cl1 131.82(16) 2 7
Ag3 Ag4 Cl1 48.18(16) 3 .
Ag3 Ag4 Cl1 131.82(16) 9 .
Ag3 Ag4 Cl1 131.82(16) 7 .
Ag3 Ag4 Cl1 131.82(16) 8 .
Ag3 Ag4 Cl1 48.18(16) . .
Ag3 Ag4 Cl1 48.18(16) 2 .
Cl1 Ag4 Cl1 180.0 7 .
Cl1 Cl1 Ag3 138.6(3) 10_556 .
Cl1 Cl1 Ag3 138.6(3) 10_556 2
Ag3 Cl1 Ag3 69.9(4) . 2
Cl1 Cl1 Ag3 138.6(3) 10_556 3
Ag3 Cl1 Ag3 69.9(4) . 3
Ag3 Cl1 Ag3 69.9(4) 2 3
Cl1 Cl1 Ag4 180.000(1) 10_556 .
Ag3 Cl1 Ag4 41.4(3) . .
Ag3 Cl1 Ag4 41.4(3) 2 .
Ag3 Cl1 Ag4 41.4(3) 3 .
Cl1 Cl1 Ag3 28.21(17) 10_556 12_556
Ag3 Cl1 Ag3 144.8(2) . 12_556
Ag3 Cl1 Ag3 144.8(2) 2 12_556
Ag3 Cl1 Ag3 110.4(4) 3 12_556
Ag4 Cl1 Ag3 151.79(17) . 12_556
Cl1 Cl1 Ag3 28.21(17) 10_556 11_556
Ag3 Cl1 Ag3 144.8(2) . 11_556
Ag3 Cl1 Ag3 110.4(4) 2 11_556
Ag3 Cl1 Ag3 144.8(2) 3 11_556
Ag4 Cl1 Ag3 151.79(17) . 11_556
Ag3 Cl1 Ag3 48.3(3) 12_556 11_556
Cl1 Cl1 Ag3 28.21(17) 10_556 10_556
Ag3 Cl1 Ag3 110.4(4) . 10_556
Ag3 Cl1 Ag3 144.8(2) 2 10_556
Ag3 Cl1 Ag3 144.8(2) 3 10_556
Ag4 Cl1 Ag3 151.79(17) . 10_556
Ag3 Cl1 Ag3 48.3(3) 12_556 10_556
Ag3 Cl1 Ag3 48.3(3) 11_556 10_556
Cl1 Cl1 Ag2 80.48(14) 10_556 3
Ag3 Cl1 Ag2 134.6(3) . 3
Ag3 Cl1 Ag2 64.8(2) 2 3
Ag3 Cl1 Ag2 95.46(16) 3 3
Ag4 Cl1 Ag2 99.52(14) . 3
Ag3 Cl1 Ag2 80.42(16) 12_556 3
Ag3 Cl1 Ag2 57.41(16) 11_556 3
Ag3 Cl1 Ag2 105.5(2) 10_556 3
Cl1 Cl1 Ag2 80.48(14) 10_556 .
Ag3 Cl1 Ag2 95.46(16) . .
Ag3 Cl1 Ag2 134.6(3) 2 .
Ag3 Cl1 Ag2 64.8(2) 3 .
Ag4 Cl1 Ag2 99.52(14) . .
Ag3 Cl1 Ag2 57.41(16) 12_556 .
Ag3 Cl1 Ag2 105.5(2) 11_556 .
Ag3 Cl1 Ag2 80.42(16) 10_556 .
Ag2 Cl1 Ag2 117.32(8) 3 .
Cl1 Cl1 Ag2 80.48(14) 10_556 2
Ag3 Cl1 Ag2 64.8(2) . 2
Ag3 Cl1 Ag2 95.46(17) 2 2
Ag3 Cl1 Ag2 134.6(3) 3 2
Ag4 Cl1 Ag2 99.52(14) . 2
Ag3 Cl1 Ag2 105.5(2) 12_556 2
Ag3 Cl1 Ag2 80.42(16) 11_556 2
Ag3 Cl1 Ag2 57.41(16) 10_556 2
Ag2 Cl1 Ag2 117.32(8) 3 2
Ag2 Cl1 Ag2 117.32(8) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 Se3 2.5389(5) 10_556
Mo1 Se1 2.5984(4) 2_665
Mo1 Mo1 2.6281(4) 2_665
Mo1 Mo1 2.6281(4) 3_565
Mo1 Se1 2.6292(4) .
Mo1 Se2 2.6576(3) .
Mo1 Se1 2.7011(4) 7_566
Mo1 Mo2 2.7038(3) .
Mo1 Mo2 2.7277(3) 2_665
Mo1 Mo1 3.6142(4) 7_566
Mo2 Se2 2.5609(5) .
Mo2 Se2 2.5737(5) 3_565
Mo2 Se1 2.6510(3) .
Mo2 Se1 2.6510(3) 10_557
Mo2 Mo1 2.7038(3) 10_557
Mo2 Mo1 2.7277(3) 12_567
Mo2 Mo1 2.7277(3) 3_565
Mo2 Mo2 2.7362(5) 3_565
Mo2 Mo2 2.7362(5) 2_665
Mo2 Ag2 2.9339(10) 7_566
Mo2 Ag1 2.9470(14) 7_566
Se1 Mo1 2.5984(4) 3_565
Se1 Ag2 2.6864(6) 7_566
Se1 Mo1 2.7011(3) 7_566
Se1 Ag3 2.761(5) 11_566
Se1 Ag1 2.7687(11) 7_566
Se1 Ag3 2.886(5) 6_565
Se1 Ag3 2.912(5) 4_565
Se2 Mo2 2.5737(5) 2_665
Se2 Ag2 2.6155(11) 9_556
Se2 Ag1 2.6226(15) 9_556
Se2 Mo1 2.6576(3) 10_557
Se3 Mo1 2.5389(5) 10_556
Se3 Mo1 2.5389(5) 12_566
Se3 Mo1 2.5389(5) 11_666
Se3 Ag1 3.005(3) 3_565
Se3 Ag1 3.005(3) 2_665
Se3 Ag1 3.005(3) .
Ag1 Ag2 0.709(2) .
Ag1 Se2 2.6226(15) 8_556
Ag1 Se1 2.7687(11) 4_564
Ag1 Se1 2.7687(11) 7_566
Ag1 Mo2 2.9470(14) 7_566
Ag1 Se3 3.005(3) 10_556
Ag1 Ag3 3.054(7) 3
Ag1 Ag3 3.054(7) 12_556
Ag2 Ag3 2.575(7) 3
Ag2 Ag3 2.575(7) 12_556
Ag2 Se2 2.6155(11) 8_556
Ag2 Se1 2.6864(6) 4_564
Ag2 Se1 2.6864(6) 7_566
Ag2 Cl1 2.734(3) .
Ag2 Cl1 2.734(3) 10_556
Ag2 Mo2 2.9339(10) 7_566
Ag3 Ag4 1.663(7) .
Ag3 Cl1 1.875(7) .
Ag3 Ag3 2.147(10) 3
Ag3 Ag3 2.147(10) 2
Ag3 Ag3 2.541(13) 9
Ag3 Ag3 2.541(13) 8
Ag3 Ag2 2.575(7) 2
Ag3 Cl1 2.623(7) 10_556
Ag3 Se1 2.761(5) 12_456
Ag3 Se1 2.886(5) 5_444
Ag3 Se1 2.912(5) 4_564
Ag3 Ag1 3.054(7) 2
Ag4 Ag3 1.663(7) 3
Ag4 Ag3 1.663(7) 9
Ag4 Ag3 1.663(7) 7
Ag4 Ag3 1.663(7) 8
Ag4 Ag3 1.663(7) 2
Ag4 Cl1 2.516(7) 7
Ag4 Cl1 2.516(7) .
Cl1 Cl1 0.904(13) 10_556
Cl1 Ag3 1.875(7) 2
Cl1 Ag3 1.875(7) 3
Cl1 Ag3 2.623(7) 12_556
Cl1 Ag3 2.623(7) 11_556
Cl1 Ag3 2.623(7) 10_556
Cl1 Ag2 2.734(3) 3
Cl1 Ag2 2.734(3) 2
