#------------------------------------------------------------------------------
#$Date: 2016-02-20 21:30:07 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/09/2220993.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_2220993
loop_
_publ_author_name
'Ayouz, Katia'
'Kars, Mohammed'
'Rebbah, Allaoua'
'Rebbah, Houria'
_publ_section_title
;
 I₈As₂₁Ge₂₅
;
_journal_coeditor_code           BR2095
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i15
_journal_paper_doi               10.1107/S1600536809004991
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'I8 As21 Ge25'
_chemical_formula_structural     '[As21 Ge25] I8'
_chemical_formula_sum            'As20.897 Ge25.101 I8'
_chemical_formula_weight         4403
_chemical_name_common            'octaiodo henacosarsenate pentacosagermanide'
_chemical_name_systematic
;
octaiodine henacosarsenic pentacosagermanium
;
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.5963(6)
_cell_length_b                   10.5963(5)
_cell_length_c                   10.5963(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      38.00
_cell_measurement_theta_min      6.09
_cell_volume                     1189.77(13)
_computing_cell_refinement       'KappaCCD Software (Nonius, 1998)'
_computing_data_collection       'KappaCCD Software (Nonius, 1998)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'GRETEP (Laugier & Bochu, 2002)'
_computing_publication_material  'JANA2000 (Petříček & Dušek, 2000)'
_computing_structure_refinement  'JANA2000 (Petříček & Dušek, 2000)'
_computing_structure_solution
'coordinates taken from analogous clathrates-I (Reference?)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       φ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0642
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5499
_diffrn_reflns_theta_full        38.00
_diffrn_reflns_theta_max         38.00
_diffrn_reflns_theta_min         6.09
_exptl_absorpt_coefficient_mu    34.296
_exptl_absorpt_correction_T_max  0.330
_exptl_absorpt_correction_T_min  0.137
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(JANA2000; Petříček & Dušek, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    6.1431(6)
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1917
_exptl_crystal_size_max          0.076
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.035
_refine_diff_density_max         2.48
_refine_diff_density_min         -3.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.75
_refine_ls_number_parameters     15
_refine_ls_number_reflns         606
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0297
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(F)+0.0001F²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0347
_refine_ls_wR_factor_ref         0.0373
_reflns_number_gt                454
_reflns_number_total             606
_reflns_threshold_expression     I>3σ(I)
_cod_data_source_file            br2095.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Gaussian' changed to 'gaussian'
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:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' 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               2220993
_cod_database_fobs_code          2220993
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-y,1/2+x,1/2+z
3 x,-y,-z
4 z,x,y
5 -x,-y,z
6 1/2+y,1/2+x,1/2-z
7 1/2-x,1/2+z,1/2+y
8 1/2+y,1/2-x,1/2+z
9 -x,y,-z
10 -z,-x,y
11 1/2-y,1/2-x,1/2-z
12 1/2+x,1/2-z,1/2+y
13 z,-x,-y
14 1/2+x,1/2+z,1/2-y
15 -z,x,-y
16 1/2-x,1/2-z,1/2-y
17 1/2+z,1/2-y,1/2+x
18 y,z,x
19 1/2-z,1/2+y,1/2+x
20 -y,-z,x
21 1/2+z,1/2+y,1/2-x
22 -y,z,-x
23 1/2-z,1/2-y,1/2-x
24 y,-z,-x
25 -x,-y,-z
26 1/2+y,1/2-x,1/2-z
27 -x,y,z
28 -z,-x,-y
29 x,y,-z
30 1/2-y,1/2-x,1/2+z
31 1/2+x,1/2-z,1/2-y
32 1/2-y,1/2+x,1/2-z
33 x,-y,z
34 z,x,-y
35 1/2+y,1/2+x,1/2+z
36 1/2-x,1/2+z,1/2-y
37 -z,x,y
38 1/2-x,1/2-z,1/2+y
39 z,-x,y
40 1/2+x,1/2+z,1/2+y
41 1/2-z,1/2+y,1/2-x
42 -y,-z,-x
43 1/2+z,1/2-y,1/2-x
44 y,z,-x
45 1/2-z,1/2-y,1/2+x
46 y,-z,x
47 1/2+z,1/2+y,1/2+x
48 -y,z,x
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
I I1 0 0 0 0.01086(12) Uani d . 1 . .
I I2 0.25 0.5 0 0.01537(14) Uani d . 1 . .
Ge Ge3 0 0.31029(6) 0.11761(6) 0.01180(15) Uani d . 0.971(4) . .
As As3 0 0.31029(6) 0.11761(6) 0.01180(15) Uani d . 0.029(4) . .
As As2 0.18337(4) 0.18337(4) 0.18337(4) 0.01082(8) Uani d . 0.900(4) . .
Ge Ge2 0.18337(4) 0.18337(4) 0.18337(4) 0.01082(8) Uani d . 0.100(4) . .
As As1 0.25 0 0.5 0.0144(2) Uani d . 0.966(8) . .
Ge Ge1 0.25 0 0.5 0.0144(2) Uani d . 0.034(8) . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
_atom_site_aniso_type_symbol
I1 0.0109(2) 0.0109(2) 0.0109(2) 0 0 0 I
I2 0.0110(3) 0.0176(2) 0.0176(2) 0 0 0 I
Ge3 0.0112(3) 0.0129(3) 0.0113(3) 0 0 -0.0009(2) Ge
As3 0.0112(3) 0.0129(3) 0.0113(3) 0 0 -0.0009(2) As
As2 0.01082(14) 0.01082(14) 0.01082(14) -0.00079(13) -0.00079(13) -0.00079(13)
As
Ge2 0.01082(14) 0.01082(14) 0.01082(14) -0.00079(13) -0.00079(13) -0.00079(13)
Ge
As1 0.0152(5) 0.0140(3) 0.0140(3) 0 0 0 As
Ge1 0.0152(5) 0.0140(3) 0.0140(3) 0 0 0 Ge
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ge 0.155 1.800 'International Tables Vol C Tables  4.2.6.8 and 6.1.1.1'
As 0.050 2.006 'International Tables Vol C Tables  4.2.6.8 and 6.1.1.1'
I -0.474 1.812 'International Tables Vol C Tables  4.2.6.8 and 6.1.1.1'
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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ge3 I1 Ge3 . . 25_555 180 ?
Ge3 I1 Ge3 . . 4_555 70.644(10) ?
Ge3 I1 Ge3 . . 28_555 109.356(10) ?
Ge3 I1 Ge3 . . 5_555 138.482(15) ?
Ge3 I1 Ge3 . . 10_555 70.644(10) ?
Ge3 I1 Ge3 . . 34_555 109.356(10) ?
Ge3 I1 Ge3 . . 18_555 70.644(10) ?
Ge3 I1 Ge3 . . 42_555 109.356(10) ?
Ge3 I1 Ge3 . . 22_555 70.644(10) ?
Ge3 I1 Ge3 . . 46_555 109.356(10) ?
Ge3 I1 As2 . . 25_555 138.117(9) ?
Ge3 I1 As2 . . 3_555 138.117(9) ?
Ge3 I1 As2 . . 5_555 109.587(11) ?
Ge3 I1 As2 . . 29_555 70.413(11) ?
Ge3 I1 As2 . . 9_555 70.413(11) ?
Ge3 I1 As2 . . 33_555 109.587(11) ?
Ge3 I1 Ge3 25_555 . . 180 ?
Ge3 I1 Ge3 25_555 . 4_555 109.356(10) ?
Ge3 I1 Ge3 25_555 . 28_555 70.644(10) ?
Ge3 I1 Ge3 25_555 . 29_555 138.482(15) ?
Ge3 I1 Ge3 25_555 . 10_555 109.356(10) ?
Ge3 I1 Ge3 25_555 . 34_555 70.644(10) ?
Ge3 I1 Ge3 25_555 . 18_555 109.356(10) ?
Ge3 I1 Ge3 25_555 . 42_555 70.644(10) ?
Ge3 I1 Ge3 25_555 . 22_555 109.356(10) ?
Ge3 I1 Ge3 25_555 . 46_555 70.644(10) ?
Ge3 I1 As2 25_555 . . 138.117(9) ?
Ge3 I1 As2 25_555 . 27_555 138.117(9) ?
Ge3 I1 As2 25_555 . 5_555 70.413(11) ?
Ge3 I1 As2 25_555 . 29_555 109.587(11) ?
Ge3 I1 As2 25_555 . 9_555 109.587(11) ?
Ge3 I1 As2 25_555 . 33_555 70.413(11) ?
Ge3 I1 Ge3 4_555 . . 70.644(10) ?
Ge3 I1 Ge3 4_555 . 25_555 109.356(10) ?
Ge3 I1 Ge3 4_555 . 28_555 180 ?
Ge3 I1 Ge3 4_555 . 5_555 70.644(10) ?
Ge3 I1 Ge3 4_555 . 29_555 109.356(10) ?
Ge3 I1 Ge3 4_555 . 34_555 138.482(15) ?
Ge3 I1 Ge3 4_555 . 18_555 70.644(10) ?
Ge3 I1 Ge3 4_555 . 42_555 109.356(10) ?
Ge3 I1 Ge3 4_555 . 22_555 109.356(10) ?
Ge3 I1 Ge3 4_555 . 46_555 70.644(10) ?
Ge3 I1 As2 4_555 . 25_555 138.117(9) ?
Ge3 I1 As2 4_555 . 3_555 109.587(11) ?
Ge3 I1 As2 4_555 . 27_555 70.413(11) ?
Ge3 I1 As2 4_555 . 5_555 70.413(11) ?
Ge3 I1 As2 4_555 . 29_555 109.587(11) ?
Ge3 I1 As2 4_555 . 9_555 138.117(9) ?
Ge3 I1 Ge3 28_555 . . 109.356(10) ?
Ge3 I1 Ge3 28_555 . 25_555 70.644(10) ?
Ge3 I1 Ge3 28_555 . 4_555 180 ?
Ge3 I1 Ge3 28_555 . 5_555 109.356(10) ?
Ge3 I1 Ge3 28_555 . 29_555 70.644(10) ?
Ge3 I1 Ge3 28_555 . 10_555 138.482(15) ?
Ge3 I1 Ge3 28_555 . 18_555 109.356(10) ?
Ge3 I1 Ge3 28_555 . 42_555 70.644(10) ?
Ge3 I1 Ge3 28_555 . 22_555 70.644(10) ?
Ge3 I1 Ge3 28_555 . 46_555 109.356(10) ?
Ge3 I1 As2 28_555 . . 138.117(9) ?
Ge3 I1 As2 28_555 . 3_555 70.413(11) ?
Ge3 I1 As2 28_555 . 27_555 109.587(11) ?
Ge3 I1 As2 28_555 . 5_555 109.587(11) ?
Ge3 I1 As2 28_555 . 29_555 70.413(11) ?
Ge3 I1 As2 28_555 . 33_555 138.117(9) ?
Ge3 I1 Ge3 5_555 . . 138.482(15) ?
Ge3 I1 Ge3 5_555 . 4_555 70.644(10) ?
Ge3 I1 Ge3 5_555 . 28_555 109.356(10) ?
Ge3 I1 Ge3 5_555 . 29_555 180 ?
Ge3 I1 Ge3 5_555 . 10_555 70.644(10) ?
Ge3 I1 Ge3 5_555 . 34_555 109.356(10) ?
Ge3 I1 Ge3 5_555 . 18_555 109.356(10) ?
Ge3 I1 Ge3 5_555 . 42_555 70.644(10) ?
Ge3 I1 Ge3 5_555 . 22_555 109.356(10) ?
Ge3 I1 Ge3 5_555 . 46_555 70.644(10) ?
Ge3 I1 As2 5_555 . . 109.587(11) ?
Ge3 I1 As2 5_555 . 25_555 70.413(11) ?
Ge3 I1 As2 5_555 . 3_555 70.413(11) ?
Ge3 I1 As2 5_555 . 27_555 109.587(11) ?
Ge3 I1 As2 5_555 . 29_555 138.117(9) ?
Ge3 I1 As2 5_555 . 9_555 138.117(9) ?
Ge3 I1 Ge3 29_555 . 25_555 138.482(15) ?
Ge3 I1 Ge3 29_555 . 4_555 109.356(10) ?
Ge3 I1 Ge3 29_555 . 28_555 70.644(10) ?
Ge3 I1 Ge3 29_555 . 5_555 180 ?
Ge3 I1 Ge3 29_555 . 10_555 109.356(10) ?
Ge3 I1 Ge3 29_555 . 34_555 70.644(10) ?
Ge3 I1 Ge3 29_555 . 18_555 70.644(10) ?
Ge3 I1 Ge3 29_555 . 42_555 109.356(10) ?
Ge3 I1 Ge3 29_555 . 22_555 70.644(10) ?
Ge3 I1 Ge3 29_555 . 46_555 109.356(10) ?
Ge3 I1 As2 29_555 . . 70.413(11) ?
Ge3 I1 As2 29_555 . 25_555 109.587(11) ?
Ge3 I1 As2 29_555 . 3_555 109.587(11) ?
Ge3 I1 As2 29_555 . 27_555 70.413(11) ?
Ge3 I1 As2 29_555 . 5_555 138.117(9) ?
Ge3 I1 As2 29_555 . 33_555 138.117(9) ?
Ge3 I1 Ge3 10_555 . . 70.644(10) ?
Ge3 I1 Ge3 10_555 . 25_555 109.356(10) ?
Ge3 I1 Ge3 10_555 . 28_555 138.482(15) ?
Ge3 I1 Ge3 10_555 . 5_555 70.644(10) ?
Ge3 I1 Ge3 10_555 . 29_555 109.356(10) ?
Ge3 I1 Ge3 10_555 . 34_555 180 ?
Ge3 I1 Ge3 10_555 . 18_555 109.356(10) ?
Ge3 I1 Ge3 10_555 . 42_555 70.644(10) ?
Ge3 I1 Ge3 10_555 . 22_555 70.644(10) ?
Ge3 I1 Ge3 10_555 . 46_555 109.356(10) ?
Ge3 I1 As2 10_555 . . 70.413(11) ?
Ge3 I1 As2 10_555 . 25_555 109.587(11) ?
Ge3 I1 As2 10_555 . 3_555 138.117(9) ?
Ge3 I1 As2 10_555 . 29_555 138.117(9) ?
Ge3 I1 As2 10_555 . 9_555 109.587(11) ?
Ge3 I1 As2 10_555 . 33_555 70.413(11) ?
Ge3 I1 Ge3 34_555 . . 109.356(10) ?
Ge3 I1 Ge3 34_555 . 25_555 70.644(10) ?
Ge3 I1 Ge3 34_555 . 4_555 138.482(15) ?
Ge3 I1 Ge3 34_555 . 5_555 109.356(10) ?
Ge3 I1 Ge3 34_555 . 29_555 70.644(10) ?
Ge3 I1 Ge3 34_555 . 10_555 180 ?
Ge3 I1 Ge3 34_555 . 18_555 70.644(10) ?
Ge3 I1 Ge3 34_555 . 42_555 109.356(10) ?
Ge3 I1 Ge3 34_555 . 22_555 109.356(10) ?
Ge3 I1 Ge3 34_555 . 46_555 70.644(10) ?
Ge3 I1 As2 34_555 . . 109.587(11) ?
Ge3 I1 As2 34_555 . 25_555 70.413(11) ?
Ge3 I1 As2 34_555 . 27_555 138.117(9) ?
Ge3 I1 As2 34_555 . 5_555 138.117(9) ?
Ge3 I1 As2 34_555 . 9_555 70.413(11) ?
Ge3 I1 As2 34_555 . 33_555 109.587(11) ?
Ge3 I1 Ge3 18_555 . . 70.644(10) ?
Ge3 I1 Ge3 18_555 . 25_555 109.356(10) ?
Ge3 I1 Ge3 18_555 . 4_555 70.644(10) ?
Ge3 I1 Ge3 18_555 . 28_555 109.356(10) ?
Ge3 I1 Ge3 18_555 . 5_555 109.356(10) ?
Ge3 I1 Ge3 18_555 . 29_555 70.644(10) ?
Ge3 I1 Ge3 18_555 . 10_555 109.356(10) ?
Ge3 I1 Ge3 18_555 . 34_555 70.644(10) ?
Ge3 I1 Ge3 18_555 . 42_555 180 ?
Ge3 I1 Ge3 18_555 . 22_555 138.482(15) ?
Ge3 I1 As2 18_555 . 25_555 138.117(9) ?
Ge3 I1 As2 18_555 . 3_555 70.413(11) ?
Ge3 I1 As2 18_555 . 27_555 109.587(11) ?
Ge3 I1 As2 18_555 . 5_555 138.117(9) ?
Ge3 I1 As2 18_555 . 9_555 109.587(11) ?
Ge3 I1 As2 18_555 . 33_555 70.413(11) ?
Ge3 I1 Ge3 42_555 . . 109.356(10) ?
Ge3 I1 Ge3 42_555 . 25_555 70.644(10) ?
Ge3 I1 Ge3 42_555 . 4_555 109.356(10) ?
Ge3 I1 Ge3 42_555 . 28_555 70.644(10) ?
Ge3 I1 Ge3 42_555 . 5_555 70.644(10) ?
Ge3 I1 Ge3 42_555 . 29_555 109.356(10) ?
Ge3 I1 Ge3 42_555 . 10_555 70.644(10) ?
Ge3 I1 Ge3 42_555 . 34_555 109.356(10) ?
Ge3 I1 Ge3 42_555 . 18_555 180 ?
Ge3 I1 Ge3 42_555 . 46_555 138.482(15) ?
Ge3 I1 As2 42_555 . . 138.117(9) ?
Ge3 I1 As2 42_555 . 3_555 109.587(11) ?
Ge3 I1 As2 42_555 . 27_555 70.413(11) ?
Ge3 I1 As2 42_555 . 29_555 138.117(9) ?
Ge3 I1 As2 42_555 . 9_555 70.413(11) ?
Ge3 I1 As2 42_555 . 33_555 109.587(11) ?
Ge3 I1 Ge3 22_555 . . 70.644(10) ?
Ge3 I1 Ge3 22_555 . 25_555 109.356(10) ?
Ge3 I1 Ge3 22_555 . 4_555 109.356(10) ?
Ge3 I1 Ge3 22_555 . 28_555 70.644(10) ?
Ge3 I1 Ge3 22_555 . 5_555 109.356(10) ?
Ge3 I1 Ge3 22_555 . 29_555 70.644(10) ?
Ge3 I1 Ge3 22_555 . 10_555 70.644(10) ?
Ge3 I1 Ge3 22_555 . 34_555 109.356(10) ?
Ge3 I1 Ge3 22_555 . 18_555 138.482(15) ?
Ge3 I1 Ge3 22_555 . 46_555 180 ?
Ge3 I1 As2 22_555 . . 109.587(11) ?
Ge3 I1 As2 22_555 . 25_555 70.413(11) ?
Ge3 I1 As2 22_555 . 3_555 138.117(9) ?
Ge3 I1 As2 22_555 . 5_555 70.413(11) ?
Ge3 I1 As2 22_555 . 29_555 109.587(11) ?
Ge3 I1 As2 22_555 . 33_555 138.117(9) ?
Ge3 I1 Ge3 46_555 . . 109.356(10) ?
Ge3 I1 Ge3 46_555 . 25_555 70.644(10) ?
Ge3 I1 Ge3 46_555 . 4_555 70.644(10) ?
Ge3 I1 Ge3 46_555 . 28_555 109.356(10) ?
Ge3 I1 Ge3 46_555 . 5_555 70.644(10) ?
Ge3 I1 Ge3 46_555 . 29_555 109.356(10) ?
Ge3 I1 Ge3 46_555 . 10_555 109.356(10) ?
Ge3 I1 Ge3 46_555 . 34_555 70.644(10) ?
Ge3 I1 Ge3 46_555 . 42_555 138.482(15) ?
Ge3 I1 Ge3 46_555 . 22_555 180 ?
Ge3 I1 As2 46_555 . . 70.413(11) ?
Ge3 I1 As2 46_555 . 25_555 109.587(11) ?
Ge3 I1 As2 46_555 . 27_555 138.117(9) ?
Ge3 I1 As2 46_555 . 5_555 109.587(11) ?
Ge3 I1 As2 46_555 . 29_555 70.413(11) ?
Ge3 I1 As2 46_555 . 9_555 138.117(9) ?
As2 I1 As2 . . 25_555 180 ?
As2 I1 As2 . . 3_555 109.471(10) ?
As2 I1 As2 . . 27_555 70.529(10) ?
As2 I1 As2 . . 5_555 109.471(10) ?
As2 I1 As2 . . 29_555 70.529(10) ?
As2 I1 As2 . . 9_555 109.471(10) ?
As2 I1 As2 . . 33_555 70.529(10) ?
As2 I1 As2 25_555 . . 180 ?
As2 I1 As2 25_555 . 3_555 70.529(10) ?
As2 I1 As2 25_555 . 27_555 109.471(10) ?
As2 I1 As2 25_555 . 5_555 70.529(10) ?
As2 I1 As2 25_555 . 29_555 109.471(10) ?
As2 I1 As2 25_555 . 9_555 70.529(10) ?
As2 I1 As2 25_555 . 33_555 109.471(10) ?
As2 I1 As2 3_555 . . 109.471(10) ?
As2 I1 As2 3_555 . 25_555 70.529(10) ?
As2 I1 As2 3_555 . 27_555 180 ?
As2 I1 As2 3_555 . 5_555 109.471(10) ?
As2 I1 As2 3_555 . 29_555 70.529(10) ?
As2 I1 As2 3_555 . 9_555 109.471(10) ?
As2 I1 As2 3_555 . 33_555 70.529(10) ?
As2 I1 As2 27_555 . . 70.529(10) ?
As2 I1 As2 27_555 . 25_555 109.471(10) ?
As2 I1 As2 27_555 . 3_555 180 ?
As2 I1 As2 27_555 . 5_555 70.529(10) ?
As2 I1 As2 27_555 . 29_555 109.471(10) ?
As2 I1 As2 27_555 . 9_555 70.529(10) ?
As2 I1 As2 27_555 . 33_555 109.471(10) ?
As2 I1 As2 5_555 . . 109.471(10) ?
As2 I1 As2 5_555 . 25_555 70.529(10) ?
As2 I1 As2 5_555 . 3_555 109.471(10) ?
As2 I1 As2 5_555 . 27_555 70.529(10) ?
As2 I1 As2 5_555 . 29_555 180 ?
As2 I1 As2 5_555 . 9_555 109.471(10) ?
As2 I1 As2 5_555 . 33_555 70.529(10) ?
As2 I1 As2 29_555 . . 70.529(10) ?
As2 I1 As2 29_555 . 25_555 109.471(10) ?
As2 I1 As2 29_555 . 3_555 70.529(10) ?
As2 I1 As2 29_555 . 27_555 109.471(10) ?
As2 I1 As2 29_555 . 5_555 180 ?
As2 I1 As2 29_555 . 9_555 70.529(10) ?
As2 I1 As2 29_555 . 33_555 109.471(10) ?
As2 I1 As2 9_555 . . 109.471(10) ?
As2 I1 As2 9_555 . 25_555 70.529(10) ?
As2 I1 As2 9_555 . 3_555 109.471(10) ?
As2 I1 As2 9_555 . 27_555 70.529(10) ?
As2 I1 As2 9_555 . 5_555 109.471(10) ?
As2 I1 As2 9_555 . 29_555 70.529(10) ?
As2 I1 As2 9_555 . 33_555 180 ?
As2 I1 As2 33_555 . . 70.529(10) ?
As2 I1 As2 33_555 . 25_555 109.471(10) ?
As2 I1 As2 33_555 . 3_555 70.529(10) ?
As2 I1 As2 33_555 . 27_555 109.471(10) ?
As2 I1 As2 33_555 . 5_555 70.529(10) ?
As2 I1 As2 33_555 . 29_555 109.471(10) ?
As2 I1 As2 33_555 . 9_555 180 ?
Ge3 I2 Ge3 . . 25_565 83.521(11) ?
Ge3 I2 Ge3 . . 5_565 68.952(13) ?
Ge3 I2 Ge3 . . 7_554 162.500(15) ?
Ge3 I2 Ge3 . . 31_555 99.156(11) ?
Ge3 I2 Ge3 . . 12_554 123.809(13) ?
Ge3 I2 Ge3 . . 36_555 123.809(13) ?
Ge3 I2 As1 . . 2_554 158.083(10) ?
Ge3 I2 As1 . . 26_555 97.307(9) ?
Ge3 I2 As1 . . 17_454 73.781(9) ?
Ge3 I2 Ge3 25_565 . . 83.521(11) ?
Ge3 I2 Ge3 25_565 . 29_555 68.952(13) ?
Ge3 I2 Ge3 25_565 . 7_554 99.156(11) ?
Ge3 I2 Ge3 25_565 . 31_555 162.500(15) ?
Ge3 I2 Ge3 25_565 . 12_554 123.809(13) ?
Ge3 I2 Ge3 25_565 . 36_555 123.809(13) ?
Ge3 I2 As1 25_565 . 2_554 97.307(9) ?
Ge3 I2 As1 25_565 . 26_555 158.083(10) ?
Ge3 I2 Ge3 5_565 . . 68.952(13) ?
Ge3 I2 Ge3 5_565 . 29_555 83.521(11) ?
Ge3 I2 Ge3 5_565 . 7_554 123.809(13) ?
Ge3 I2 Ge3 5_565 . 31_555 123.809(13) ?
Ge3 I2 Ge3 5_565 . 12_554 162.500(15) ?
Ge3 I2 Ge3 5_565 . 36_555 99.156(11) ?
Ge3 I2 As1 5_565 . 2_554 97.307(9) ?
Ge3 I2 As1 5_565 . 26_555 158.083(10) ?
Ge3 I2 As1 5_565 . 17_454 73.781(9) ?
Ge3 I2 Ge3 29_555 . 25_565 68.952(13) ?
Ge3 I2 Ge3 29_555 . 5_565 83.521(11) ?
Ge3 I2 Ge3 29_555 . 7_554 123.809(13) ?
Ge3 I2 Ge3 29_555 . 31_555 123.809(13) ?
Ge3 I2 Ge3 29_555 . 12_554 99.156(11) ?
Ge3 I2 Ge3 29_555 . 36_555 162.500(15) ?
Ge3 I2 As1 29_555 . 2_554 158.083(10) ?
Ge3 I2 As1 29_555 . 26_555 97.307(9) ?
Ge3 I2 As1 29_555 . 41_555 73.781(9) ?
Ge3 I2 Ge3 7_554 . . 162.500(15) ?
Ge3 I2 Ge3 7_554 . 25_565 99.156(11) ?
Ge3 I2 Ge3 7_554 . 5_565 123.809(13) ?
Ge3 I2 Ge3 7_554 . 29_555 123.809(13) ?
Ge3 I2 Ge3 7_554 . 31_555 83.521(11) ?
Ge3 I2 Ge3 7_554 . 36_555 68.952(13) ?
Ge3 I2 As1 7_554 . 26_555 73.781(9) ?
Ge3 I2 As1 7_554 . 17_454 97.307(9) ?
Ge3 I2 As1 7_554 . 41_555 158.083(10) ?
Ge3 I2 Ge3 31_555 . . 99.156(11) ?
Ge3 I2 Ge3 31_555 . 25_565 162.500(15) ?
Ge3 I2 Ge3 31_555 . 5_565 123.809(13) ?
Ge3 I2 Ge3 31_555 . 29_555 123.809(13) ?
Ge3 I2 Ge3 31_555 . 7_554 83.521(11) ?
Ge3 I2 Ge3 31_555 . 12_554 68.952(13) ?
Ge3 I2 As1 31_555 . 2_554 73.781(9) ?
Ge3 I2 As1 31_555 . 17_454 158.083(10) ?
Ge3 I2 As1 31_555 . 41_555 97.307(9) ?
Ge3 I2 Ge3 12_554 . . 123.809(13) ?
Ge3 I2 Ge3 12_554 . 25_565 123.809(13) ?
Ge3 I2 Ge3 12_554 . 5_565 162.500(15) ?
Ge3 I2 Ge3 12_554 . 29_555 99.156(11) ?
Ge3 I2 Ge3 12_554 . 31_555 68.952(13) ?
Ge3 I2 Ge3 12_554 . 36_555 83.521(11) ?
Ge3 I2 As1 12_554 . 2_554 73.781(9) ?
Ge3 I2 As1 12_554 . 17_454 97.307(9) ?
Ge3 I2 As1 12_554 . 41_555 158.083(10) ?
Ge3 I2 Ge3 36_555 . . 123.809(13) ?
Ge3 I2 Ge3 36_555 . 25_565 123.809(13) ?
Ge3 I2 Ge3 36_555 . 5_565 99.156(11) ?
Ge3 I2 Ge3 36_555 . 29_555 162.500(15) ?
Ge3 I2 Ge3 36_555 . 7_554 68.952(13) ?
Ge3 I2 Ge3 36_555 . 12_554 83.521(11) ?
Ge3 I2 As1 36_555 . 26_555 73.781(9) ?
Ge3 I2 As1 36_555 . 17_454 158.083(10) ?
Ge3 I2 As1 36_555 . 41_555 97.307(9) ?
As1 I2 As1 2_554 . 26_555 90 ?
As1 I2 As1 2_554 . 17_454 120 ?
As1 I2 As1 2_554 . 41_555 120 ?
As1 I2 As1 26_555 . 2_554 90 ?
As1 I2 As1 26_555 . 17_454 120 ?
As1 I2 As1 26_555 . 41_555 120 ?
As1 I2 As1 17_454 . 2_554 120 ?
As1 I2 As1 17_454 . 26_555 120 ?
As1 I2 As1 17_454 . 41_555 90 ?
As1 I2 As1 41_555 . 2_554 120 ?
As1 I2 As1 41_555 . 26_555 120 ?
As1 I2 As1 41_555 . 17_454 90 ?
I1 Ge3 I2 . . . 113.887(13) ?
I1 Ge3 I2 . . 25_565 113.887(13) ?
I1 Ge3 Ge3 . . 29_555 69.24(2) ?
I1 Ge3 As2 . . . 65.785(17) ?
I1 Ge3 As2 . . 27_555 65.785(17) ?
I1 Ge3 As1 . . 41_555 165.85(3) ?
I2 Ge3 I2 . . 25_565 96.479(16) ?
I2 Ge3 Ge3 . . 29_555 69.456(15) ?
I2 Ge3 As2 . . . 79.626(11) ?
I2 Ge3 As2 . . 27_555 175.25(2) ?
I2 Ge3 As1 . . 41_555 74.729(13) ?
I2 Ge3 I2 25_565 . . 96.479(16) ?
I2 Ge3 Ge3 25_565 . 29_555 69.456(15) ?
I2 Ge3 As2 25_565 . . 175.25(2) ?
I2 Ge3 As2 25_565 . 27_555 79.626(11) ?
I2 Ge3 As1 25_565 . 41_555 74.729(13) ?
Ge3 Ge3 As2 29_555 . . 106.43(2) ?
Ge3 Ge3 As2 29_555 . 27_555 106.43(2) ?
Ge3 Ge3 As1 29_555 . 41_555 124.91(3) ?
As2 Ge3 As2 . . 27_555 104.13(3) ?
As2 Ge3 As1 . . 41_555 106.61(2) ?
As2 Ge3 As2 27_555 . . 104.13(3) ?
As2 Ge3 As1 27_555 . 41_555 106.61(2) ?
I1 As2 Ge3 . . . 72.332(17) ?
I1 As2 Ge3 . . 4_555 72.332(17) ?
I1 As2 Ge3 . . 18_555 72.332(17) ?
I1 As2 As2 . . 27_555 54.736(9) ?
I1 As2 As2 . . 29_555 54.736(9) ?
I1 As2 As2 . . 33_555 54.736(9) ?
I1 As2 As2 . . 11_555 180 ?
Ge3 As2 Ge3 . . 4_555 111.21(2) ?
Ge3 As2 Ge3 . . 18_555 111.21(2) ?
Ge3 As2 As2 . . 29_555 73.570(18) ?
Ge3 As2 As2 . . 33_555 123.08(2) ?
Ge3 As2 As2 . . 11_555 107.67(2) ?
Ge3 As2 Ge3 4_555 . . 111.21(2) ?
Ge3 As2 Ge3 4_555 . 18_555 111.21(2) ?
Ge3 As2 As2 4_555 . 27_555 73.570(18) ?
Ge3 As2 As2 4_555 . 29_555 123.08(2) ?
Ge3 As2 As2 4_555 . 11_555 107.67(2) ?
Ge3 As2 Ge3 18_555 . . 111.21(2) ?
Ge3 As2 Ge3 18_555 . 4_555 111.21(2) ?
Ge3 As2 As2 18_555 . 27_555 123.08(2) ?
Ge3 As2 As2 18_555 . 33_555 73.570(18) ?
Ge3 As2 As2 18_555 . 11_555 107.67(2) ?
As2 As2 As2 27_555 . 29_555 90 ?
As2 As2 As2 27_555 . 33_555 90 ?
As2 As2 As2 27_555 . 11_555 125.264(18) ?
As2 As2 As2 29_555 . 27_555 90 ?
As2 As2 As2 29_555 . 33_555 90 ?
As2 As2 As2 29_555 . 11_555 125.264(18) ?
As2 As2 As2 33_555 . 27_555 90 ?
As2 As2 As2 33_555 . 29_555 90 ?
As2 As2 As2 33_555 . 11_555 125.264(18) ?
As2 As2 As2 11_555 . 27_555 125.264(18) ?
As2 As2 As2 11_555 . 29_555 125.264(18) ?
As2 As2 As2 11_555 . 33_555 125.264(18) ?
I2 As1 I2 2_545 . 26_455 90 ?
I2 As1 I2 2_545 . 17_555 120 ?
I2 As1 I2 2_545 . 41_545 120 ?
I2 As1 Ge3 2_545 . 4_555 66.131(10) ?
I2 As1 Ge3 2_545 . 34_556 66.131(10) ?
I2 As1 Ge3 2_545 . 41_545 79.908(15) ?
I2 As1 Ge3 2_545 . 45_555 169.908(15) ?
I2 As1 I2 26_455 . 2_545 90 ?
I2 As1 I2 26_455 . 17_555 120 ?
I2 As1 I2 26_455 . 41_545 120 ?
I2 As1 Ge3 26_455 . 4_555 66.131(10) ?
I2 As1 Ge3 26_455 . 34_556 66.131(10) ?
I2 As1 Ge3 26_455 . 41_545 169.908(15) ?
I2 As1 Ge3 26_455 . 45_555 79.908(15) ?
I2 As1 I2 17_555 . 2_545 120 ?
I2 As1 I2 17_555 . 26_455 120 ?
I2 As1 I2 17_555 . 41_545 90 ?
I2 As1 Ge3 17_555 . 4_555 169.908(15) ?
I2 As1 Ge3 17_555 . 34_556 79.908(15) ?
I2 As1 Ge3 17_555 . 41_545 66.131(10) ?
I2 As1 Ge3 17_555 . 45_555 66.131(10) ?
I2 As1 I2 41_545 . 2_545 120 ?
I2 As1 I2 41_545 . 26_455 120 ?
I2 As1 I2 41_545 . 17_555 90 ?
I2 As1 Ge3 41_545 . 4_555 79.908(15) ?
I2 As1 Ge3 41_545 . 34_556 169.908(15) ?
I2 As1 Ge3 41_545 . 41_545 66.131(10) ?
I2 As1 Ge3 41_545 . 45_555 66.131(10) ?
Ge3 As1 Ge3 4_555 . 34_556 110.18(2) ?
Ge3 As1 Ge3 4_555 . 41_545 109.116(11) ?
Ge3 As1 Ge3 4_555 . 45_555 109.116(11) ?
Ge3 As1 Ge3 34_556 . 4_555 110.18(2) ?
Ge3 As1 Ge3 34_556 . 41_545 109.116(11) ?
Ge3 As1 Ge3 34_556 . 45_555 109.116(11) ?
Ge3 As1 Ge3 41_545 . 4_555 109.116(11) ?
Ge3 As1 Ge3 41_545 . 34_556 109.116(11) ?
Ge3 As1 Ge3 41_545 . 45_555 110.18(2) ?
Ge3 As1 Ge3 45_555 . 4_555 109.116(11) ?
Ge3 As1 Ge3 45_555 . 34_556 109.116(11) ?
Ge3 As1 Ge3 45_555 . 41_545 110.18(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
I1 Ge3 . . 3.5161(7) ?
I1 Ge3 . 25_555 3.5161(7) ?
I1 Ge3 . 4_555 3.5161(7) ?
I1 Ge3 . 28_555 3.5161(7) ?
I1 Ge3 . 5_555 3.5161(7) ?
I1 Ge3 . 29_555 3.5161(7) ?
I1 Ge3 . 10_555 3.5161(7) ?
I1 Ge3 . 34_555 3.5161(7) ?
I1 Ge3 . 18_555 3.5161(7) ?
I1 Ge3 . 42_555 3.5161(7) ?
I1 Ge3 . 22_555 3.5161(7) ?
I1 Ge3 . 46_555 3.5161(7) ?
I1 As2 . . 3.3655(4) ?
I1 As2 . 25_555 3.3655(4) ?
I1 As2 . 3_555 3.3655(4) ?
I1 As2 . 27_555 3.3655(4) ?
I1 As2 . 5_555 3.3655(4) ?
I1 As2 . 29_555 3.3655(4) ?
I1 As2 . 9_555 3.3655(4) ?
I1 As2 . 33_555 3.3655(4) ?
I2 Ge3 . . 3.5513(4) ?
I2 Ge3 . 25_565 3.5513(4) ?
I2 Ge3 . 5_565 3.5513(4) ?
I2 Ge3 . 29_555 3.5513(4) ?
I2 Ge3 . 7_554 3.5513(4) ?
I2 Ge3 . 31_555 3.5513(4) ?
I2 Ge3 . 12_554 3.5513(4) ?
I2 Ge3 . 36_555 3.5513(4) ?
I2 As1 . 2_554 3.7464(2) ?
I2 As1 . 26_555 3.7464(2) ?
I2 As1 . 17_454 3.7464(2) ?
I2 As1 . 41_555 3.7464(2) ?
Ge3 Ge3 . 29_555 2.4925(9) ?
Ge3 As2 . . 2.4636(6) ?
Ge3 As2 . 27_555 2.4636(6) ?
Ge3 As1 . 41_555 2.4513(7) ?
As2 As2 . 27_555 3.8862(6) ?
As2 As2 . 29_555 3.8862(6) ?
As2 As2 . 33_555 3.8862(6) ?
As2 As2 . 11_555 2.4457(6) ?
