#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/43/2104308.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2104308
loop_
_publ_author_name
'Daszkiewicz, Marek'
'Gulay, Lubomir D.'
'Lychmanyuk, Olga S.'
_publ_section_title
;
 Ln₃M~1{-~δ}TX₇ -- quasi-isostructural compounds:
 stereochemistry and silver-ion motion in the Ln₃Ag~1{-~δ}GeS₇ (Ln
 = La--Nd, Sm, Gd--Er and Y; δ = 0.11--0.50) compounds
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              126
_journal_page_last               133
_journal_paper_doi               10.1107/S010876810900144X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         'Ag0.63 Gd3 Ge S7'
_chemical_formula_sum            'Ag0.63 Gd3 Ge S7'
_chemical_formula_weight         836.18
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_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                   9.9637(14)
_cell_length_b                   9.9637(14)
_cell_length_c                   5.7660(12)
_cell_measurement_reflns_used    657
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.19
_cell_measurement_theta_min      4.25
_cell_volume                     495.73(14)
_computing_cell_refinement       'CrysAlis RED'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method       ω-scan
_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    0.0183
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5095
_diffrn_reflns_theta_full        26.19
_diffrn_reflns_theta_max         26.19
_diffrn_reflns_theta_min         4.25
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    25.409
_exptl_absorpt_correction_T_max  0.192
_exptl_absorpt_correction_T_min  0.024
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'CrysAlis (Oxford Diffraction, 2007)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    5.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             731
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.806
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881, 296 Friedel pairs'
_refine_ls_abs_structure_Flack   0.006(15)
_refine_ls_extinction_coef       0.0047(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         658
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0129
_refine_ls_R_factor_gt           0.0128
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0143P)²+0.2664P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0292
_refine_ls_wR_factor_ref         0.0292
_reflns_number_gt                657
_reflns_number_total             658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bp5017.cif
_cod_data_source_block           gd
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2104308
_cod_database_fobs_code          2104308
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'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd Gd 0.86849(2) 0.64152(2) 0.24476(11) 0.01184(9) Uani d . 1 . .
Ag Ag1 0.0000 0.0000 0.085(4) 0.093(5) Uani d SP 0.50(2) . .
Ag Ag2 0.0000 0.0000 0.9545(16) 0.014(4) Uani d SP 0.12(2) . .
Ge Ge1 0.3333 0.6667 0.32630(13) 0.00836(18) Uani d S 1 . .
S S1 0.3333 0.6667 0.9488(3) 0.0104(4) Uani d S 1 . .
S S2 0.90148(13) 0.73723(14) 0.7161(2) 0.0172(3) Uani d . 1 . .
S S3 0.58053(14) 0.47996(13) 0.9842(2) 0.0106(2) Uani d . 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'
Gd Gd -0.1653 3.9035 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
S2 Gd S3 6_654 3_664 102.59(4) ?
S2 Gd S2 6_654 5_564 89.80(5) ?
S3 Gd S2 3_664 5_564 140.84(4) ?
S2 Gd S2 6_654 . 81.61(4) ?
S3 Gd S2 3_664 . 137.18(4) ?
S2 Gd S2 5_564 . 80.91(3) ?
S2 Gd S3 6_654 1_554 140.77(4) ?
S3 Gd S3 3_664 1_554 75.80(5) ?
S2 Gd S3 5_564 1_554 71.53(3) ?
S2 Gd S3 . 1_554 126.56(3) ?
S2 Gd S1 6_654 4_664 147.63(3) ?
S3 Gd S1 3_664 4_664 71.34(4) ?
S2 Gd S1 5_564 4_664 115.33(3) ?
S2 Gd S1 . 4_664 82.65(4) ?
S3 Gd S1 1_554 4_664 70.08(4) ?
S2 Gd S3 6_654 6_654 69.67(3) ?
S3 Gd S3 3_664 6_654 71.86(2) ?
S2 Gd S3 5_564 6_654 146.14(4) ?
S2 Gd S3 . 6_654 69.95(3) ?
S3 Gd S3 1_554 6_654 140.47(3) ?
S1 Gd S3 4_664 6_654 78.40(3) ?
S2 Gd S2 6_654 1_554 76.15(3) ?
S3 Gd S2 3_664 1_554 71.75(3) ?
S2 Gd S2 5_564 1_554 75.61(3) ?
S2 Gd S2 . 1_554 147.45(5) ?
S3 Gd S2 1_554 1_554 66.04(3) ?
S1 Gd S2 4_664 1_554 127.82(4) ?
S3 Gd S2 6_654 1_554 121.97(3) ?
S2 Gd Ag1 6_654 1_665 46.17(9) ?
S3 Gd Ag1 3_664 1_665 124.6(4) ?
S2 Gd Ag1 5_564 1_665 45.98(9) ?
S2 Gd Ag1 . 1_665 89.3(4) ?
S3 Gd Ag1 1_554 1_665 101.8(3) ?
S1 Gd Ag1 4_664 1_665 160.90(19) ?
S3 Gd Ag1 6_654 1_665 115.01(18) ?
S2 Gd Ag1 1_554 1_665 58.2(4) ?
S2 Gd Ag2 6_654 4_664 50.52(6) ?
S3 Gd Ag2 3_664 4_664 152.98(8) ?
S2 Gd Ag2 5_564 4_664 50.30(6) ?
S2 Gd Ag2 . 4_664 51.72(15) ?
S3 Gd Ag2 1_554 4_664 121.83(7) ?
S1 Gd Ag2 4_664 4_664 131.70(15) ?
S3 Gd Ag2 6_654 4_664 96.85(9) ?
S2 Gd Ag2 1_554 4_664 95.74(15) ?
Ag1 Gd Ag2 1_665 4_664 37.5(3) ?
S2 Gd Ag2 6_654 1_664 49.52(5) ?
S3 Gd Ag2 3_664 1_664 114.12(13) ?
S2 Gd Ag2 5_564 1_664 49.37(5) ?
S2 Gd Ag2 . 1_664 100.99(14) ?
S3 Gd Ag2 1_554 1_664 94.53(9) ?
S1 Gd Ag2 4_664 1_664 162.42(3) ?
S3 Gd Ag2 6_654 1_664 119.08(5) ?
S2 Gd Ag2 1_554 1_664 46.48(14) ?
Ag1 Gd Ag2 1_665 1_664 11.7(3) ?
Ag2 Gd Ag2 4_664 1_664 49.26(2) ?
S2 Gd Ag1 6_654 4_665 55.56(18) ?
S3 Gd Ag1 3_664 4_665 156.62(6) ?
S2 Gd Ag1 5_564 4_665 55.37(18) ?
S2 Gd Ag1 . 4_665 40.8(3) ?
S3 Gd Ag1 1_554 4_665 125.75(11) ?
S1 Gd Ag1 4_664 4_665 121.5(3) ?
S3 Gd Ag1 6_654 4_665 90.9(2) ?
S2 Gd Ag1 1_554 4_665 106.7(3) ?
Ag1 Gd Ag1 1_665 4_665 48.49(10) ?
Ag2 Gd Ag1 4_664 4_665 10.9(2) ?
Ag2 Gd Ag1 1_664 4_665 60.2(3) ?
Ag2 Ag1 Ag2 1_554 4_554 180.0000(10) ?
Ag2 Ag1 S2 1_554 4_664 108.3(6) ?
Ag2 Ag1 S2 4_554 4_664 71.7(6) ?
Ag2 Ag1 S2 1_554 5_454 108.3(6) ?
Ag2 Ag1 S2 4_554 5_454 71.7(6) ?
S2 Ag1 S2 4_664 5_454 110.6(6) ?
Ag2 Ag1 S2 1_554 6_544 108.3(6) ?
Ag2 Ag1 S2 4_554 6_544 71.7(6) ?
S2 Ag1 S2 4_664 6_544 110.6(6) ?
S2 Ag1 S2 5_454 6_544 110.6(6) ?
Ag2 Ag1 Ag1 1_554 4_554 0.0000(10) ?
Ag2 Ag1 Ag1 4_554 4_554 180.0000(10) ?
S2 Ag1 Ag1 4_664 4_554 108.3(6) ?
S2 Ag1 Ag1 5_454 4_554 108.3(6) ?
S2 Ag1 Ag1 6_544 4_554 108.3(6) ?
Ag2 Ag1 Ag1 1_554 4 180.000(2) ?
Ag2 Ag1 Ag1 4_554 4 0.0000(10) ?
S2 Ag1 Ag1 4_664 4 71.7(6) ?
S2 Ag1 Ag1 5_454 4 71.7(6) ?
S2 Ag1 Ag1 6_544 4 71.7(6) ?
Ag1 Ag1 Ag1 4_554 4 180.000(2) ?
Ag2 Ag1 Gd 1_554 2_655 106.4(4) ?
Ag2 Ag1 Gd 4_554 2_655 73.6(4) ?
S2 Ag1 Gd 4_664 2_655 56.55(17) ?
S2 Ag1 Gd 5_454 2_655 145.3(10) ?
S2 Ag1 Gd 6_544 2_655 57.53(17) ?
Ag1 Ag1 Gd 4_554 2_655 106.4(4) ?
Ag1 Ag1 Gd 4 2_655 73.6(4) ?
Ag2 Ag1 Gd 1_554 3_565 106.4(4) ?
Ag2 Ag1 Gd 4_554 3_565 73.6(4) ?
S2 Ag1 Gd 4_664 3_565 57.53(17) ?
S2 Ag1 Gd 5_454 3_565 56.55(17) ?
S2 Ag1 Gd 6_544 3_565 145.3(10) ?
Ag1 Ag1 Gd 4_554 3_565 106.4(4) ?
Ag1 Ag1 Gd 4 3_565 73.6(4) ?
Gd Ag1 Gd 2_655 3_565 112.3(4) ?
Ag2 Ag1 Gd 1_554 1_445 106.4(4) ?
Ag2 Ag1 Gd 4_554 1_445 73.6(4) ?
S2 Ag1 Gd 4_664 1_445 145.3(10) ?
S2 Ag1 Gd 5_454 1_445 57.53(17) ?
S2 Ag1 Gd 6_544 1_445 56.55(17) ?
Ag1 Ag1 Gd 4_554 1_445 106.4(4) ?
Ag1 Ag1 Gd 4 1_445 73.6(4) ?
Gd Ag1 Gd 2_655 1_445 112.3(4) ?
Gd Ag1 Gd 3_565 1_445 112.3(4) ?
Ag2 Ag1 Gd 1_554 5_454 57.9(3) ?
Ag2 Ag1 Gd 4_554 5_454 122.1(3) ?
S2 Ag1 Gd 4_664 5_454 125.1(3) ?
S2 Ag1 Gd 5_454 5_454 50.4(2) ?
S2 Ag1 Gd 6_544 5_454 124.2(3) ?
Ag1 Ag1 Gd 4_554 5_454 57.9(3) ?
Ag1 Ag1 Gd 4 5_454 122.1(3) ?
Gd Ag1 Gd 2_655 5_454 164.3(8) ?
Gd Ag1 Gd 3_565 5_454 75.14(11) ?
Gd Ag1 Gd 1_445 5_454 75.14(11) ?
Ag2 Ag1 Gd 1_554 6_544 57.9(3) ?
Ag2 Ag1 Gd 4_554 6_544 122.1(3) ?
S2 Ag1 Gd 4_664 6_544 124.2(3) ?
S2 Ag1 Gd 5_454 6_544 125.1(3) ?
S2 Ag1 Gd 6_544 6_544 50.4(2) ?
Ag1 Ag1 Gd 4_554 6_544 57.9(3) ?
Ag1 Ag1 Gd 4 6_544 122.1(3) ?
Gd Ag1 Gd 2_655 6_544 75.14(11) ?
Gd Ag1 Gd 3_565 6_544 164.3(8) ?
Gd Ag1 Gd 1_445 6_544 75.14(11) ?
Gd Ag1 Gd 5_454 6_544 94.4(5) ?
Ag1 Ag2 Ag1 1_556 4 180.00(3) ?
Ag1 Ag2 S2 1_556 1_445 120.96(18) ?
Ag1 Ag2 S2 4 1_445 59.04(17) ?
Ag1 Ag2 S2 1_556 2_655 120.96(17) ?
Ag1 Ag2 S2 4 2_655 59.04(17) ?
S2 Ag2 S2 1_445 2_655 95.9(2) ?
Ag1 Ag2 S2 1_556 3_565 120.96(18) ?
Ag1 Ag2 S2 4 3_565 59.04(17) ?
S2 Ag2 S2 1_445 3_565 95.9(2) ?
S2 Ag2 S2 2_655 3_565 95.9(2) ?
Ag1 Ag2 S2 1_556 4_665 56.64(17) ?
Ag1 Ag2 S2 4 4_665 123.36(17) ?
S2 Ag2 S2 1_445 4_665 177.6(3) ?
S2 Ag2 S2 2_655 4_665 85.69(2) ?
S2 Ag2 S2 3_565 4_665 85.69(2) ?
Ag1 Ag2 S2 1_556 6_545 56.64(16) ?
Ag1 Ag2 S2 4 6_545 123.36(17) ?
S2 Ag2 S2 1_445 6_545 85.69(2) ?
S2 Ag2 S2 2_655 6_545 85.69(2) ?
S2 Ag2 S2 3_565 6_545 177.6(3) ?
S2 Ag2 S2 4_665 6_545 92.7(2) ?
Ag1 Ag2 S2 1_556 5_455 56.64(16) ?
Ag1 Ag2 S2 4 5_455 123.36(16) ?
S2 Ag2 S2 1_445 5_455 85.69(2) ?
S2 Ag2 S2 2_655 5_455 177.6(3) ?
S2 Ag2 S2 3_565 5_455 85.69(2) ?
S2 Ag2 S2 4_665 5_455 92.7(2) ?
S2 Ag2 S2 6_545 5_455 92.7(2) ?
Ag1 Ag2 Ag2 1_556 4_554 180.00(2) ?
Ag1 Ag2 Ag2 4 4_554 0.000(3) ?
S2 Ag2 Ag2 1_445 4_554 59.04(17) ?
S2 Ag2 Ag2 2_655 4_554 59.04(17) ?
S2 Ag2 Ag2 3_565 4_554 59.04(17) ?
S2 Ag2 Ag2 4_665 4_554 123.36(17) ?
S2 Ag2 Ag2 6_545 4_554 123.36(17) ?
S2 Ag2 Ag2 5_455 4_554 123.36(16) ?
Ag1 Ag2 Ag2 1_556 4 0.000(12) ?
Ag1 Ag2 Ag2 4 4 180.000(5) ?
S2 Ag2 Ag2 1_445 4 120.96(18) ?
S2 Ag2 Ag2 2_655 4 120.96(17) ?
S2 Ag2 Ag2 3_565 4 120.96(17) ?
S2 Ag2 Ag2 4_665 4 56.64(17) ?
S2 Ag2 Ag2 6_545 4 56.64(17) ?
S2 Ag2 Ag2 5_455 4 56.64(17) ?
Ag2 Ag2 Ag2 4_554 4 180.000(3) ?
Ag1 Ag2 Gd 1_556 5_455 111.13(16) ?
Ag1 Ag2 Gd 4 5_455 68.87(15) ?
S2 Ag2 Gd 1_445 5_455 53.72(8) ?
S2 Ag2 Gd 2_655 5_455 127.9(3) ?
S2 Ag2 Gd 3_565 5_455 54.62(8) ?
S2 Ag2 Gd 4_665 5_455 126.43(6) ?
S2 Ag2 Gd 6_545 5_455 125.56(6) ?
S2 Ag2 Gd 5_455 5_455 54.49(3) ?
Ag2 Ag2 Gd 4_554 5_455 68.87(15) ?
Ag2 Ag2 Gd 4 5_455 111.13(15) ?
Ag1 Ag2 Gd 1_556 6_545 111.13(15) ?
Ag1 Ag2 Gd 4 6_545 68.87(15) ?
S2 Ag2 Gd 1_445 6_545 54.62(8) ?
S2 Ag2 Gd 2_655 6_545 53.72(8) ?
S2 Ag2 Gd 3_565 6_545 127.9(3) ?
S2 Ag2 Gd 4_665 6_545 125.56(6) ?
S2 Ag2 Gd 6_545 6_545 54.49(3) ?
S2 Ag2 Gd 5_455 6_545 126.43(6) ?
Ag2 Ag2 Gd 4_554 6_545 68.87(15) ?
Ag2 Ag2 Gd 4 6_545 111.13(15) ?
Gd Ag2 Gd 5_455 6_545 107.77(16) ?
S1 Ge1 S3 1_554 5_564 114.14(3) ?
S1 Ge1 S3 1_554 6_554 114.14(3) ?
S3 Ge1 S3 5_564 6_554 104.42(4) ?
S1 Ge1 S3 1_554 4_664 114.14(3) ?
S3 Ge1 S3 5_564 4_664 104.42(4) ?
S3 Ge1 S3 6_554 4_664 104.42(4) ?
Ge1 S1 Gd 1_556 6 113.54(3) ?
Ge1 S1 Gd 1_556 4_665 113.54(3) ?
Gd S1 Gd 6 4_665 105.12(4) ?
Ge1 S1 Gd 1_556 5_565 113.54(3) ?
Gd S1 Gd 6 5_565 105.12(4) ?
Gd S1 Gd 4_665 5_565 105.12(4) ?
Ag1 S2 Ag2 4_665 1_665 49.2(5) ?
Ag2 S2 Ag2 1_665 4_664 64.33(3) ?
Ag1 S2 Gd 4_665 5_565 77.28(9) ?
Ag2 S2 Gd 1_665 5_565 75.76(3) ?
Ag2 S2 Gd 4_664 5_565 79.78(5) ?
Ag1 S2 Gd 4_665 6_655 76.49(10) ?
Ag2 S2 Gd 1_665 6_655 75.08(4) ?
Ag2 S2 Gd 4_664 6_655 79.08(5) ?
Gd S2 Gd 5_565 6_655 149.27(5) ?
Ag1 S2 Gd 4_665 . 88.9(6) ?
Ag2 S2 Gd 1_665 . 138.11(18) ?
Ag2 S2 Gd 4_664 . 73.78(17) ?
Gd S2 Gd 5_565 . 98.07(4) ?
Gd S2 Gd 6_655 . 97.14(4) ?
Ag1 S2 Gd 4_665 1_556 123.7(6) ?
Ag2 S2 Gd 1_665 1_556 74.42(18) ?
Ag2 S2 Gd 4_664 1_556 138.74(17) ?
Gd S2 Gd 5_565 1_556 91.05(3) ?
Gd S2 Gd 6_655 1_556 90.31(3) ?
Gd S2 Gd . 1_556 147.45(5) ?
Ge1 S3 Gd 4_665 2_656 91.08(4) ?
Ge1 S3 Gd 4_665 1_556 88.69(4) ?
Gd S3 Gd 2_656 1_556 109.62(4) ?
Ge1 S3 Gd 4_665 5_565 119.54(5) ?
Gd S3 Gd 2_656 5_565 143.30(4) ?
Gd S3 Gd 1_556 5_565 92.02(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Gd S2 6_654 2.7906(12) ?
Gd S3 3_664 2.8160(12) ?
Gd S2 5_564 2.8309(12) ?
Gd S2 . 2.8443(14) ?
Gd S3 1_554 2.9090(13) ?
Gd S1 4_664 2.9466(9) ?
Gd S3 6_654 3.0045(12) ?
Gd S2 1_554 3.1616(15) ?
Gd Ag1 1_665 3.263(7) ?
Gd Ag2 4_664 3.355(4) ?
Gd Ag2 1_664 3.549(5) ?
Gd Ag1 4_665 3.693(14) ?
Ag1 Ag2 1_554 0.75(2) ?
Ag1 Ag2 4_554 2.13(2) ?
Ag1 S2 4_664 2.413(8) ?
Ag1 S2 5_454 2.413(8) ?
Ag1 S2 6_544 2.413(8) ?
Ag1 Ag1 4_554 2.8830(6) ?
Ag1 Ag1 4 2.8830(6) ?
Ag1 Gd 2_655 3.263(7) ?
Ag1 Gd 3_565 3.263(7) ?
Ag1 Gd 1_445 3.263(7) ?
Ag1 Gd 5_454 3.693(14) ?
Ag1 Gd 6_544 3.693(14) ?
Ag2 Ag1 1_556 0.75(2) ?
Ag2 Ag1 4 2.13(2) ?
Ag2 S2 1_445 2.672(5) ?
Ag2 S2 2_655 2.672(5) ?
Ag2 S2 3_565 2.672(5) ?
Ag2 S2 4_665 2.743(5) ?
Ag2 S2 6_545 2.743(5) ?
Ag2 S2 5_455 2.743(5) ?
Ag2 Ag2 4_554 2.8830(6) ?
Ag2 Ag2 4 2.8830(6) ?
Ag2 Gd 5_455 3.355(3) ?
Ag2 Gd 6_545 3.355(3) ?
Ge1 S1 1_554 2.1765(19) ?
Ge1 S3 5_564 2.2256(13) ?
Ge1 S3 6_554 2.2256(13) ?
Ge1 S3 4_664 2.2256(12) ?
S1 Ge1 1_556 2.1765(19) ?
S1 Gd 6 2.9466(9) ?
S1 Gd 4_665 2.9466(9) ?
S1 Gd 5_565 2.9466(9) ?
S2 Ag1 4_665 2.413(8) ?
S2 Ag2 1_665 2.672(5) ?
S2 Ag2 4_664 2.743(5) ?
S2 Gd 5_565 2.7906(11) ?
S2 Gd 6_655 2.8309(12) ?
S2 Gd 1_556 3.1616(15) ?
S3 Ge1 4_665 2.2256(12) ?
S3 Gd 2_656 2.8160(12) ?
S3 Gd 1_556 2.9090(13) ?
S3 Gd 5_565 3.0045(12) ?
