#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:51:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179458 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/55/4335512.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_4335512
loop_
_publ_author_name
'Maria A. Kirsanova'
'Takao Mori'
'Satofumi Maruyama'
'Artem M. Abakumov'
'Gustaaf Van Tendeloo'
'Andrei Olenev'
'Andrei V. Shevelkov'
_publ_contact_author_address
;
Moscow State University
Department of Chemistry
Leninskie Gory 1 build. 3 GSP-1
119991 Moscow
Russia
;
_publ_contact_author_email       kirsanova@inorg.chem.msu.ru
_publ_contact_author_name        'Maria A. Kirsanova'
_publ_contact_author_phone       '007 495 939-1200'
_publ_section_title
;
 Cationic Clathrate of Type-III Ge172-xPxTey (y~ 21.5,x~ 2y): Synthesis,
 Crystal Structure and Thermoelectric Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8272
_journal_page_last               8279
_journal_paper_doi               10.1021/ic401203r
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Ge129.28 P42.72 Te21.53'
_chemical_formula_sum            'Ge129.28 P42.72 Te21.53'
_chemical_formula_weight         13454.70
_chemical_name_common            'germanium-phosphor telluride'
_chemical_name_systematic        'germanium-phosphor telluride'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_atom_sites_solution_hydrogens   none
_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            1
_cell_length_a                   19.948(3)
_cell_length_b                   19.948(3)
_cell_length_c                   10.440(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.12
_cell_measurement_theta_min      15.83
_cell_volume                     4154.3(12)
_computing_cell_refinement       'CAD4 (Nonius)'
_computing_data_collection       'CAD4 (Nonius)'
_computing_data_reduction        'XCAD7 (P.McArdle, 1999)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius CAD4'
_diffrn_measurement_method       ω--2θ
_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  0.0780
_diffrn_reflns_av_sigmaI/netI    0.1000
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6387
_diffrn_reflns_theta_full        29.97
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         2.04
_diffrn_standards_interval_time  120
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    27.098
_exptl_absorpt_correction_T_max  0.4103
_exptl_absorpt_correction_T_min  0.2932
_exptl_absorpt_correction_type   'psi-scan corrections'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.378
_exptl_crystal_description       prism
_exptl_crystal_F_000             5897
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         4.788
_refine_diff_density_min         -2.612
_refine_diff_density_rms         0.485
_refine_ls_extinction_coef       0.00014(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   1.059
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         3294
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0543
_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 w=1/[σ²(Fo²)+(0.0749P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1401
_refine_ls_wR_factor_ref         0.1526
_reflns_number_gt                2155
_reflns_number_total             3294
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401203r_si_002.cif
_cod_data_source_block           xl3
_cod_database_code               4335512
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y, x, -z'
'-y, -x, -z'
'-x, -y, -z'
'x, y, -z'
'y-1/2, -x-1/2, -z-1/2'
'-y-1/2, x-1/2, -z-1/2'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'
'-y, -x, z'
'y, x, 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
Te1 Te 0.59906(6) 0.40094(6) 0.0000 0.0265(4) Uani 1 4 d S
Te2 Te 0.31859(4) 0.31859(4) 0.25133(10) 0.0169(2) Uani 1 2 d S
Te3 Te 0.46682(5) 0.87051(5) 0.0000 0.0168(2) Uani 1 2 d S
Te4 Te 0.5657(3) 0.2452(3) 0.5000 0.0123(15) Uani 0.192(4) 2 d SP
P1 P 0.18533(12) 0.18533(12) 0.1848(3) 0.0068(7) Uani 1 2 d S
P2 P 0.49845(13) 0.36608(13) 0.6853(2) 0.0092(5) Uani 1 1 d .
Ge1 Ge 0.23589(9) 0.23589(9) 0.0000 0.0140(5) Uani 1 4 d S
Ge2 Ge 0.5000 0.0000 0.7500 0.0106(4) Uani 1 4 d S
Ge3 Ge 0.40511(9) 0.40511(9) 0.0000 0.0180(5) Uani 1 4 d S
Ge4 Ge 0.69405(8) 0.22024(8) 0.0000 0.0106(3) Uani 1 2 d S
Ge5 Ge 0.44113(8) 0.28973(8) 0.0000 0.0124(3) Uani 1 2 d S
Ge6 Ge 0.72974(9) 0.10437(9) 0.0000 0.0162(4) Uani 1 2 d S
Ge7 Ge 0.35397(8) 0.20530(8) 0.0000 0.0138(3) Uani 1 2 d S
Ge8 Ge 0.60661(6) 0.39339(6) 0.61667(16) 0.0129(3) Uani 1 2 d S
Ge9 Ge 0.45636(7) 0.45636(7) 0.1887(2) 0.0126(4) Uani 0.78 2 d SP
Ge10 Ge 0.50762(6) 0.26508(6) 0.80998(11) 0.0142(3) Uani 1 1 d .
Ge11 Ge 0.62580(5) 0.23324(5) 0.80905(11) 0.0123(3) Uani 1 1 d .
Ge12 Ge 0.59549(6) 0.97438(6) 0.88326(11) 0.0151(3) Uani 1 1 d .
Ge13 Ge 0.84572(9) 0.06839(10) 0.0000 0.0187(6) Uani 0.909(7) 2 d SP
P13 P 0.84572(9) 0.06839(10) 0.0000 0.0187(6) Uani 0.09 2 d SP
Ge14 Ge 0.68233(8) 0.05031(8) 0.81635(16) 0.0110(5) Uani 0.411(5) 1 d P
P14 P 0.68233(8) 0.05031(8) 0.81635(16) 0.0110(5) Uani 0.59 1 d P
Ge15 Ge 0.36794(8) 0.13487(8) 0.18476(15) 0.0097(4) Uani 0.486(5) 1 d P
P15 P 0.36794(8) 0.13487(8) 0.18476(15) 0.0097(4) Uani 0.51 1 d P
Ge16 Ge 0.4933(6) 0.4412(6) 0.1468(11) 0.0126(4) Uani 0.090(3) 1 d P
P16 P 0.4933(6) 0.4412(6) 0.1468(11) 0.0126(4) Uani 0.02 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
P P 0.1023 0.0942 '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'
Te Te -0.5308 1.6751 '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
P16 Te1 Ge16 0.0(6) 15_665 15_665
P16 Te1 P16 68.4(5) 15_665 8_665
Ge16 Te1 P16 68.4(5) 15_665 8_665
P16 Te1 Ge16 68.4(5) 15_665 8_665
Ge16 Te1 Ge16 68.4(5) 15_665 8_665
P16 Te1 Ge16 0.0(6) 8_665 8_665
P16 Te1 Ge16 82.0(5) 15_665 10
Ge16 Te1 Ge16 82.0(5) 15_665 10
P16 Te1 Ge16 39.6(5) 8_665 10
Ge16 Te1 Ge16 39.6(5) 8_665 10
P16 Te1 P16 82.0(5) 15_665 10
Ge16 Te1 P16 82.0(5) 15_665 10
P16 Te1 P16 39.6(5) 8_665 10
Ge16 Te1 P16 39.6(5) 8_665 10
Ge16 Te1 P16 0.0(6) 10 10
P16 Te1 Ge16 39.6(5) 15_665 .
Ge16 Te1 Ge16 39.6(5) 15_665 .
P16 Te1 Ge16 82.0(5) 8_665 .
Ge16 Te1 Ge16 82.0(5) 8_665 .
Ge16 Te1 Ge16 68.4(5) 10 .
P16 Te1 Ge16 68.4(5) 10 .
Ge8 P1 Ge11 106.74(10) 3_544 13_565
Ge8 P1 Ge11 106.74(10) 3_544 3_544
Ge11 P1 Ge11 112.29(15) 13_565 3_544
Ge8 P1 Ge1 108.72(15) 3_544 .
Ge11 P1 Ge1 111.04(10) 13_565 .
Ge11 P1 Ge1 111.04(10) 3_544 .
P16 P2 Ge16 0.0(7) 10_556 10_556
P16 P2 Ge8 97.0(3) 10_556 .
Ge16 P2 Ge8 97.0(3) 10_556 .
P16 P2 Ge9 22.3(3) 10_556 10_556
Ge16 P2 Ge9 22.3(3) 10_556 10_556
Ge8 P2 Ge9 108.56(12) . 10_556
P16 P2 Ge13 134.6(3) 10_556 3_545
Ge16 P2 Ge13 134.6(3) 10_556 3_545
Ge8 P2 Ge13 107.88(11) . 3_545
Ge9 P2 Ge13 112.31(12) 10_556 3_545
P16 P2 P13 134.6(3) 10_556 3_545
Ge16 P2 P13 134.6(3) 10_556 3_545
Ge8 P2 P13 107.88(11) . 3_545
Ge9 P2 P13 112.31(12) 10_556 3_545
Ge13 P2 P13 0.00(12) 3_545 3_545
P16 P2 Ge10 97.8(3) 10_556 .
Ge16 P2 Ge10 97.8(3) 10_556 .
Ge8 P2 Ge10 106.91(11) . .
Ge9 P2 Ge10 111.17(12) 10_556 .
Ge13 P2 Ge10 109.80(11) 3_545 .
P13 P2 Ge10 109.80(11) 3_545 .
P1 Ge1 P1 107.05(19) 10 .
P1 Ge1 Ge7 107.55(4) 10 .
P1 Ge1 Ge7 107.55(4) . .
P1 Ge1 Ge7 107.55(4) 10 7
P1 Ge1 Ge7 107.55(4) . 7
Ge7 Ge1 Ge7 119.04(13) . 7
Ge12 Ge2 Ge12 109.41(3) 1_545 12_757
Ge12 Ge2 Ge12 109.41(3) 1_545 11_567
Ge12 Ge2 Ge12 109.60(6) 12_757 11_567
Ge12 Ge2 Ge12 109.60(6) 1_545 2_665
Ge12 Ge2 Ge12 109.41(3) 12_757 2_665
Ge12 Ge2 Ge12 109.41(3) 11_567 2_665
Ge5 Ge3 Ge5 124.67(13) . 7
Ge5 Ge3 P16 126.9(3) . 16
Ge5 Ge3 P16 93.8(3) 7 16
Ge5 Ge3 Ge16 126.9(3) . 16
Ge5 Ge3 Ge16 93.8(3) 7 16
P16 Ge3 Ge16 0.0(6) 16 16
Ge5 Ge3 Ge16 93.8(3) . .
Ge5 Ge3 Ge16 126.9(3) 7 .
P16 Ge3 Ge16 35.0(5) 16 .
Ge16 Ge3 Ge16 35.0(5) 16 .
Ge5 Ge3 P16 126.9(3) . 7
Ge5 Ge3 P16 93.8(3) 7 7
P16 Ge3 P16 77.8(6) 16 7
Ge16 Ge3 P16 77.8(6) 16 7
Ge16 Ge3 P16 88.2(5) . 7
Ge5 Ge3 Ge16 93.8(3) . 10
Ge5 Ge3 Ge16 126.9(3) 7 10
P16 Ge3 Ge16 88.2(5) 16 10
Ge16 Ge3 Ge16 88.2(5) 16 10
Ge16 Ge3 Ge16 77.8(6) . 10
P16 Ge3 Ge16 35.0(5) 7 10
Ge5 Ge3 Ge16 126.9(3) . 7
Ge5 Ge3 Ge16 93.8(3) 7 7
P16 Ge3 Ge16 77.8(6) 16 7
Ge16 Ge3 Ge16 77.8(6) 16 7
Ge16 Ge3 Ge16 88.2(5) . 7
P16 Ge3 Ge16 0.0(6) 7 7
Ge16 Ge3 Ge16 35.0(5) 10 7
Ge5 Ge3 P16 93.8(3) . 10
Ge5 Ge3 P16 126.9(3) 7 10
P16 Ge3 P16 88.2(5) 16 10
Ge16 Ge3 P16 88.2(5) 16 10
Ge16 Ge3 P16 77.8(6) . 10
P16 Ge3 P16 35.0(5) 7 10
Ge16 Ge3 P16 0.0(7) 10 10
Ge16 Ge3 P16 35.0(5) 7 10
Ge5 Ge3 Ge9 105.94(3) . .
Ge5 Ge3 Ge9 105.94(3) 7 .
P16 Ge3 Ge9 21.4(3) 16 .
Ge16 Ge3 Ge9 21.4(3) 16 .
Ge16 Ge3 Ge9 21.4(3) . .
P16 Ge3 Ge9 94.7(3) 7 .
Ge16 Ge3 Ge9 94.7(3) 10 .
Ge16 Ge3 Ge9 94.7(3) 7 .
P16 Ge3 Ge9 94.7(3) 10 .
Ge5 Ge3 Ge9 105.94(3) . 10
Ge5 Ge3 Ge9 105.94(3) 7 10
P16 Ge3 Ge9 94.7(3) 16 10
Ge16 Ge3 Ge9 94.7(3) 16 10
Ge16 Ge3 Ge9 94.7(3) . 10
P16 Ge3 Ge9 21.4(3) 7 10
Ge16 Ge3 Ge9 21.4(3) 10 10
Ge16 Ge3 Ge9 21.4(3) 7 10
P16 Ge3 Ge9 21.4(3) 10 10
Ge9 Ge3 Ge9 107.45(14) . 10
Ge4 Ge4 Ge6 117.88(6) 15_665 .
Ge4 Ge4 Ge11 108.72(4) 15_665 1_554
Ge6 Ge4 Ge11 105.49(6) . 1_554
Ge4 Ge4 Ge11 108.72(4) 15_665 10_556
Ge6 Ge4 Ge11 105.49(6) . 10_556
Ge11 Ge4 Ge11 110.39(8) 1_554 10_556
Ge3 Ge5 Ge7 116.75(10) . .
Ge3 Ge5 Ge10 110.79(6) . 10_556
Ge7 Ge5 Ge10 104.51(6) . 10_556
Ge3 Ge5 Ge10 110.79(6) . 1_554
Ge7 Ge5 Ge10 104.51(6) . 1_554
Ge10 Ge5 Ge10 109.02(9) 10_556 1_554
P14 Ge6 Ge14 0.00(11) 1_554 1_554
P14 Ge6 P14 106.40(11) 1_554 10_556
Ge14 Ge6 P14 106.40(11) 1_554 10_556
P14 Ge6 Ge14 106.40(11) 1_554 10_556
Ge14 Ge6 Ge14 106.40(11) 1_554 10_556
P14 Ge6 Ge14 0.00(10) 10_556 10_556
P14 Ge6 Ge4 108.31(7) 1_554 .
Ge14 Ge6 Ge4 108.31(7) 1_554 .
P14 Ge6 Ge4 108.31(7) 10_556 .
Ge14 Ge6 Ge4 108.31(7) 10_556 .
P14 Ge6 Ge13 104.11(7) 1_554 .
Ge14 Ge6 Ge13 104.11(7) 1_554 .
P14 Ge6 Ge13 104.11(7) 10_556 .
Ge14 Ge6 Ge13 104.11(7) 10_556 .
Ge4 Ge6 Ge13 124.36(10) . .
P15 Ge7 Ge15 0.00(10) 10 10
P15 Ge7 Ge15 106.81(10) 10 .
Ge15 Ge7 Ge15 106.81(10) 10 .
P15 Ge7 Ge5 108.88(6) 10 .
Ge15 Ge7 Ge5 108.88(6) 10 .
Ge15 Ge7 Ge5 108.88(6) . .
P15 Ge7 Ge1 105.01(6) 10 .
Ge15 Ge7 Ge1 105.01(6) 10 .
Ge15 Ge7 Ge1 105.01(6) . .
Ge5 Ge7 Ge1 121.39(9) . .
P1 Ge8 P2 111.78(9) 4 15_665
P1 Ge8 P2 111.78(9) 4 .
P2 Ge8 P2 109.64(14) 15_665 .
P1 Ge8 Ge8 107.75(9) 4 10_556
P2 Ge8 Ge8 107.85(8) 15_665 10_556
P2 Ge8 Ge8 107.85(8) . 10_556
Ge16 Ge9 P16 108.0(15) . 16
Ge16 Ge9 Ge16 108.0(15) . 16
P16 Ge9 Ge16 0(2) 16 16
Ge16 Ge9 P16 81.5(8) . 2_665
P16 Ge9 P16 48.6(8) 16 2_665
Ge16 Ge9 P16 48.6(8) 16 2_665
Ge16 Ge9 Ge16 81.5(8) . 2_665
P16 Ge9 Ge16 48.6(8) 16 2_665
Ge16 Ge9 Ge16 48.6(8) 16 2_665
P16 Ge9 Ge16 0.0(6) 2_665 2_665
Ge16 Ge9 P16 48.6(8) . 15_665
P16 Ge9 P16 81.5(8) 16 15_665
Ge16 Ge9 P16 81.5(8) 16 15_665
P16 Ge9 P16 37.0(6) 2_665 15_665
Ge16 Ge9 P16 37.0(6) 2_665 15_665
Ge16 Ge9 Ge16 48.6(8) . 15_665
P16 Ge9 Ge16 81.5(8) 16 15_665
Ge16 Ge9 Ge16 81.5(8) 16 15_665
P16 Ge9 Ge16 37.0(6) 2_665 15_665
Ge16 Ge9 Ge16 37.0(6) 2_665 15_665
P16 Ge9 Ge16 0.0(8) 15_665 15_665
Ge16 Ge9 P2 174.7(7) . 7_556
P16 Ge9 P2 74.2(7) 16 7_556
Ge16 Ge9 P2 74.2(7) 16 7_556
P16 Ge9 P2 96.9(3) 2_665 7_556
Ge16 Ge9 P2 96.9(3) 2_665 7_556
P16 Ge9 P2 128.1(3) 15_665 7_556
Ge16 Ge9 P2 128.1(3) 15_665 7_556
Ge16 Ge9 P2 74.2(7) . 10_556
P16 Ge9 P2 174.7(7) 16 10_556
Ge16 Ge9 P2 174.7(7) 16 10_556
P16 Ge9 P2 128.1(3) 2_665 10_556
Ge16 Ge9 P2 128.1(3) 2_665 10_556
P16 Ge9 P2 96.9(3) 15_665 10_556
Ge16 Ge9 P2 96.9(3) 15_665 10_556
P2 Ge9 P2 103.17(15) 7_556 10_556
Ge16 Ge9 Ge3 79.2(7) . .
P16 Ge9 Ge3 79.2(7) 16 .
Ge16 Ge9 Ge3 79.2(7) 16 .
P16 Ge9 Ge3 113.5(3) 2_665 .
Ge16 Ge9 Ge3 113.5(3) 2_665 .
P16 Ge9 Ge3 113.5(3) 15_665 .
Ge16 Ge9 Ge3 113.5(3) 15_665 .
P2 Ge9 Ge3 106.03(9) 7_556 .
P2 Ge9 Ge3 106.03(9) 10_556 .
Ge16 Ge9 Ge9 70.2(7) . 2_665
P16 Ge9 Ge9 70.2(7) 16 2_665
Ge16 Ge9 Ge9 70.2(7) 16 2_665
P16 Ge9 Ge9 21.6(3) 2_665 2_665
Ge16 Ge9 Ge9 21.6(3) 2_665 2_665
P16 Ge9 Ge9 21.6(3) 15_665 2_665
Ge16 Ge9 Ge9 21.6(3) 15_665 2_665
P2 Ge9 Ge9 106.57(8) 7_556 2_665
P2 Ge9 Ge9 106.57(8) 10_556 2_665
Ge3 Ge9 Ge9 126.28(7) . 2_665
P2 Ge10 P14 103.97(9) . 12_657
P2 Ge10 Ge14 103.97(9) . 12_657
P14 Ge10 Ge14 0.00(9) 12_657 12_657
P2 Ge10 Ge5 103.30(8) . 1_556
P14 Ge10 Ge5 108.85(7) 12_657 1_556
Ge14 Ge10 Ge5 108.85(7) 12_657 1_556
P2 Ge10 Ge11 106.80(8) . .
P14 Ge10 Ge11 106.43(6) 12_657 .
Ge14 Ge10 Ge11 106.43(6) 12_657 .
Ge5 Ge10 Ge11 125.55(7) 1_556 .
P1 Ge11 P15 103.86(10) 4 4
P1 Ge11 Ge15 103.86(10) 4 4
P15 Ge11 Ge15 0.00(4) 4 4
P1 Ge11 Ge4 103.84(9) 4 1_556
P15 Ge11 Ge4 108.12(7) 4 1_556
Ge15 Ge11 Ge4 108.12(7) 4 1_556
P1 Ge11 Ge10 107.73(10) 4 .
P15 Ge11 Ge10 107.04(6) 4 .
Ge15 Ge11 Ge10 107.04(6) 4 .
Ge4 Ge11 Ge10 124.47(6) 1_556 .
P14 Ge12 Ge14 0.00(10) 1_565 1_565
P14 Ge12 P15 105.45(7) 1_565 9_666
Ge14 Ge12 P15 105.45(7) 1_565 9_666
P14 Ge12 Ge15 105.45(7) 1_565 9_666
Ge14 Ge12 Ge15 105.45(7) 1_565 9_666
P15 Ge12 Ge15 0.00(8) 9_666 9_666
P14 Ge12 Ge2 105.53(6) 1_565 1_565
Ge14 Ge12 Ge2 105.53(6) 1_565 1_565
P15 Ge12 Ge2 105.13(6) 9_666 1_565
Ge15 Ge12 Ge2 105.13(6) 9_666 1_565
P14 Ge12 Ge12 106.89(5) 1_565 10_557
Ge14 Ge12 Ge12 106.89(5) 1_565 10_557
P15 Ge12 Ge12 107.17(5) 9_666 10_557
Ge15 Ge12 Ge12 107.17(5) 9_666 10_557
Ge2 Ge12 Ge12 125.20(3) 1_565 10_557
P2 Ge13 P2 108.46(14) 11_666 4_554
P2 Ge13 Ge6 109.17(8) 11_666 .
P2 Ge13 Ge6 109.17(8) 4_554 .
P2 Ge13 P13 105.96(7) 11_666 15_665
P2 Ge13 P13 105.96(7) 4_554 15_665
Ge6 Ge13 P13 117.76(6) . 15_665
P2 Ge13 Ge13 105.96(7) 11_666 15_665
P2 Ge13 Ge13 105.96(7) 4_554 15_665
Ge6 Ge13 Ge13 117.76(6) . 15_665
P13 Ge13 Ge13 0.00(9) 15_665 15_665
P15 Ge14 Ge15 0.00(9) 4 4
P15 Ge14 Ge6 108.48(9) 4 1_556
Ge15 Ge14 Ge6 108.48(9) 4 1_556
P15 Ge14 Ge12 108.61(8) 4 1_545
Ge15 Ge14 Ge12 108.61(8) 4 1_545
Ge6 Ge14 Ge12 109.61(8) 1_556 1_545
P15 Ge14 Ge10 106.92(8) 4 11_667
Ge15 Ge14 Ge10 106.92(8) 4 11_667
Ge6 Ge14 Ge10 112.57(8) 1_556 11_667
Ge12 Ge14 Ge10 110.52(8) 1_545 11_667
P14 Ge15 Ge14 0.00(12) 3_544 3_544
P14 Ge15 Ge7 108.46(8) 3_544 .
Ge14 Ge15 Ge7 108.46(8) 3_544 .
P14 Ge15 Ge12 109.24(8) 3_544 9_666
Ge14 Ge15 Ge12 109.24(8) 3_544 9_666
Ge7 Ge15 Ge12 109.15(8) . 9_666
P14 Ge15 Ge11 107.41(8) 3_544 3_544
Ge14 Ge15 Ge11 107.41(8) 3_544 3_544
Ge7 Ge15 Ge11 112.31(8) . 3_544
Ge12 Ge15 Ge11 110.21(7) 9_666 3_544
Ge9 Ge16 P16 36.0(7) . 16
Ge9 Ge16 Ge16 36.0(7) . 16
P16 Ge16 Ge16 0.0(13) 16 16
Ge9 Ge16 P16 109.8(7) . 15_665
P16 Ge16 P16 90.000(3) 16 15_665
Ge16 Ge16 P16 90.000(3) 16 15_665
Ge9 Ge16 Ge16 109.8(7) . 15_665
P16 Ge16 Ge16 90.000(3) 16 15_665
Ge16 Ge16 Ge16 90.000(3) 16 15_665
P16 Ge16 Ge16 0.0(10) 15_665 15_665
Ge9 Ge16 P2 83.5(8) . 10_556
P16 Ge16 P2 119.4(3) 16 10_556
Ge16 Ge16 P2 119.4(3) 16 10_556
P16 Ge16 P2 115.3(3) 15_665 10_556
Ge16 Ge16 P2 115.3(3) 15_665 10_556
Ge9 Ge16 Ge9 88.1(8) . 2_665
P16 Ge16 Ge9 71.5(3) 16 2_665
Ge16 Ge16 Ge9 71.5(3) 16 2_665
P16 Ge16 Ge9 21.6(3) 15_665 2_665
Ge16 Ge16 Ge9 21.6(3) 15_665 2_665
P2 Ge16 Ge9 114.2(5) 10_556 2_665
Ge9 Ge16 Ge16 76.2(8) . 2_665
P16 Ge16 Ge16 51.5(6) 16 2_665
Ge16 Ge16 Ge16 51.5(6) 16 2_665
P16 Ge16 Ge16 38.5(6) 15_665 2_665
Ge16 Ge16 Ge16 38.5(6) 15_665 2_665
P2 Ge16 Ge16 129.8(3) 10_556 2_665
Ge9 Ge16 Ge16 22.4(3) 2_665 2_665
Ge9 Ge16 P16 76.2(8) . 2_665
P16 Ge16 P16 51.5(6) 16 2_665
Ge16 Ge16 P16 51.5(6) 16 2_665
P16 Ge16 P16 38.5(6) 15_665 2_665
Ge16 Ge16 P16 38.5(6) 15_665 2_665
P2 Ge16 P16 129.8(3) 10_556 2_665
Ge9 Ge16 P16 22.4(3) 2_665 2_665
Ge16 Ge16 P16 0.0(6) 2_665 2_665
Ge9 Ge16 Ge3 79.4(7) . .
P16 Ge16 Ge3 72.5(3) 16 .
Ge16 Ge16 Ge3 72.5(3) 16 .
P16 Ge16 Ge3 135.9(3) 15_665 .
Ge16 Ge16 Ge3 135.9(3) 15_665 .
P2 Ge16 Ge3 108.5(5) 10_556 .
Ge9 Ge16 Ge3 133.6(5) 2_665 .
Ge16 Ge16 Ge3 112.0(6) 2_665 .
P16 Ge16 Ge3 112.0(6) 2_665 .
Ge9 Ge16 Te1 174.4(10) . .
P16 Ge16 Te1 139.0(2) 16 .
Ge16 Ge16 Te1 139.0(2) 16 .
P16 Ge16 Te1 70.2(2) 15_665 .
Ge16 Ge16 Te1 70.2(2) 15_665 .
P2 Ge16 Te1 101.6(4) 10_556 .
Ge9 Ge16 Te1 91.8(4) 2_665 .
Ge16 Ge16 Te1 101.8(6) 2_665 .
P16 Ge16 Te1 101.8(6) 2_665 .
Ge3 Ge16 Te1 96.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Te1 P16 2.728(12) 15_665
Te1 Ge16 2.728(12) 15_665
Te1 P16 2.728(12) 8_665
Te1 Ge16 2.728(12) 8_665
Te1 Ge16 2.728(12) 10
Te1 P16 2.728(12) 10
Te1 Ge16 2.728(12) .
P1 Ge8 2.332(4) 3_544
P1 Ge11 2.394(2) 13_565
P1 Ge11 2.394(2) 3_544
P1 Ge1 2.399(4) .
P2 P16 2.308(12) 10_556
P2 Ge16 2.308(12) 10_556
P2 Ge8 2.338(3) .
P2 Ge9 2.383(3) 10_556
P2 Ge13 2.385(3) 3_545
P2 P13 2.385(3) 3_545
P2 Ge10 2.406(3) .
Ge1 P1 2.399(4) 10
Ge1 Ge7 2.433(2) .
Ge1 Ge7 2.433(2) 7
Ge2 Ge12 2.4135(12) 1_545
Ge2 Ge12 2.4135(12) 12_757
Ge2 Ge12 2.4135(12) 11_567
Ge2 Ge12 2.4135(12) 2_665
Ge3 Ge5 2.411(2) .
Ge3 Ge5 2.411(2) 7
Ge3 P16 2.442(11) 16
Ge3 Ge16 2.442(11) 16
Ge3 Ge16 2.442(11) .
Ge3 P16 2.442(11) 7
Ge3 Ge16 2.442(11) 10
Ge3 Ge16 2.442(11) 7
Ge3 P16 2.442(11) 10
Ge3 Ge9 2.444(3) .
Ge3 Ge9 2.444(3) 10
Ge4 Ge4 2.418(3) 15_665
Ge4 Ge6 2.418(2) .
Ge4 Ge11 2.4279(15) 1_554
Ge4 Ge11 2.4279(15) 10_556
Ge5 Ge7 2.421(2) .
Ge5 Ge10 2.4365(15) 10_556
Ge5 Ge10 2.4365(15) 1_554
Ge6 P14 2.394(2) 1_554
Ge6 Ge14 2.394(2) 1_554
Ge6 P14 2.394(2) 10_556
Ge6 Ge14 2.394(2) 10_556
Ge6 Ge13 2.422(3) .
Ge7 P15 2.4025(19) 10
Ge7 Ge15 2.4025(19) 10
Ge7 Ge15 2.4025(19) .
Ge8 P1 2.332(4) 4
Ge8 P2 2.338(3) 15_665
Ge8 Ge8 2.436(3) 10_556
Ge9 Ge16 0.909(12) .
Ge9 P16 0.909(12) 16
Ge9 Ge16 0.909(12) 16
Ge9 P16 2.318(11) 2_665
Ge9 Ge16 2.318(11) 2_665
Ge9 P16 2.318(11) 15_665
Ge9 Ge16 2.318(11) 15_665
Ge9 P2 2.383(3) 7_556
Ge9 P2 2.383(3) 10_556
Ge9 Ge9 2.462(4) 2_665
Ge10 P14 2.408(2) 12_657
Ge10 Ge14 2.408(2) 12_657
Ge10 Ge5 2.4365(15) 1_556
Ge10 Ge11 2.4416(16) .
Ge11 P1 2.394(2) 4
Ge11 P15 2.4063(19) 4
Ge11 Ge15 2.4063(19) 4
Ge11 Ge4 2.4279(15) 1_556
Ge12 P14 2.405(2) 1_565
Ge12 Ge14 2.405(2) 1_565
Ge12 P15 2.4055(19) 9_666
Ge12 Ge15 2.4055(19) 9_666
Ge12 Ge2 2.4135(12) 1_565
Ge12 Ge12 2.438(2) 10_557
Ge13 P2 2.385(3) 11_666
Ge13 P2 2.385(3) 4_554
Ge13 P13 2.423(4) 15_665
Ge13 Ge13 2.423(4) 15_665
Ge14 P15 2.333(2) 4
Ge14 Ge15 2.333(2) 4
Ge14 Ge6 2.394(2) 1_556
Ge14 Ge12 2.405(2) 1_545
Ge14 Ge10 2.408(2) 11_667
Ge15 P14 2.333(2) 3_544
Ge15 Ge14 2.333(2) 3_544
Ge15 Ge12 2.4055(19) 9_666
Ge15 Ge11 2.4063(19) 3_544
Ge16 P16 1.47(2) 16
Ge16 Ge16 1.47(2) 16
Ge16 P16 1.85(2) 15_665
Ge16 Ge16 1.85(2) 15_665
Ge16 P2 2.308(12) 10_556
Ge16 Ge9 2.318(11) 2_665
Ge16 Ge16 2.36(2) 2_665
Ge16 P16 2.36(2) 2_665
