#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:57:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179460 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/57/4335776.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_4335776
loop_
_publ_author_name
'Ya-Xi Huang'
'Biao Liu'
'Lei Wen'
'Xin Zhang'
'Wei Sun'
'Jun Lin'
'Chun-Zuo Huang'
'Rong-Chuan Zhuang'
'Jin-Xiao Mi'
'Jing-Tai Zhao'
_publ_contact_author_address
;
Department of Materials Science and Engineering
College of Materials,
Xiamen University,
Xiamen 361005, Fujian Province
People's Republic of China
;
_publ_contact_author_email       yaxihuang@xmu.edu.cn
_publ_contact_author_fax         0086-592-2183937
_publ_contact_author_name        'Dr. Ya-Xi Huang'
_publ_contact_author_phone       0086-13950175872
_publ_section_title
;
 Structural Assembly from Phosphate to Germanophosphate by Applying
 Germanate as a Binder
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9169
_journal_page_last               9171
_journal_paper_doi               10.1021/ic401329d
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Fe4 Ge2 H7 K3 O28 P6'
_chemical_formula_weight         1126.76
_chemical_name_common
;
K₃[Fe₄(HPO₄)][Ge₂O(OH)(PO₄)₂].2H₂O
;
_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                   18.672(6)
_cell_length_b                   17.990(6)
_cell_length_c                   6.718(2)
_cell_measurement_reflns_used    6807
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.02
_cell_measurement_theta_min      1.57
_cell_volume                     2256.6(12)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics
'DIAMOND (Brandenburg, 2005) and ATOMS (Dowty, 2004)'
_computing_publication_material
'SHELXL-97 (Sheldrick, 2008) and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'Bruker Diffraction CCD area-detector'
_diffrn_measurement_method
'1265 images,φ=0, 90, 180 degree, and Δω=0.3 degree, χ= 54.74 degree'
_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  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6807
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         29.02
_diffrn_reflns_theta_min         1.57
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.247
_exptl_absorpt_correction_T_max  0.779
_exptl_absorpt_correction_T_min  0.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SMART (Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.316
_exptl_crystal_description       prism
_exptl_crystal_F_000             2184
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.203
_refine_diff_density_min         -1.133
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     130
_refine_ls_number_reflns         1572
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0486
_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)+(0.0232P)²+66.0447P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.0996
_reflns_number_gt                1403
_reflns_number_total             1572
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401329d_si_002.cif
_cod_data_source_block           cmcm
_cod_database_code               4335776
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
Ge1 Ge 0.5000 0.77807(4) 0.48684(11) 0.00452(18) Uani 1 2 d S
Fe1 Fe 0.7500 0.7500 0.5000 0.0065(2) Uani 1 2 d S
Fe2 Fe 0.76298(6) 0.91424(6) 0.7500 0.0246(3) Uani 1 2 d S
P1 P 0.61306(9) 0.69000(10) 0.2500 0.0046(3) Uani 1 2 d S
P2 P 0.61991(9) 0.84661(10) 0.7500 0.0045(3) Uani 1 2 d S
P3 P 0.79118(10) 0.89622(10) 0.2500 0.0081(4) Uani 1 2 d S
O1 O 0.5000 0.7374(4) 0.7500 0.0057(13) Uani 1 4 d S
H1 H 0.5000 0.6945 0.7500 0.008 Uiso 1 4 d SR
O2 O 0.5000 0.8212(4) 0.2500 0.0064(14) Uani 1 4 d S
O3 O 0.56920(18) 0.70541(19) 0.4369(5) 0.0075(7) Uani 1 1 d .
O4 O 0.57140(17) 0.84484(19) 0.5652(5) 0.0064(7) Uani 1 1 d .
O5 O 0.74059(19) 0.6390(2) 0.5641(6) 0.0111(8) Uani 1 1 d .
O6 O 0.6806(3) 0.7382(3) 0.2500 0.0085(10) Uani 1 2 d S
O7 O 0.6745(3) 0.7834(3) 0.7500 0.0084(10) Uani 1 2 d S
O8 O 0.6336(3) 0.6085(3) 0.2500 0.0110(11) Uani 1 2 d S
O9 O 0.6573(3) 0.9213(3) 0.7500 0.0101(10) Uani 1 2 d S
O10 O 0.7806(3) 0.9776(3) 0.2500 0.0150(12) Uani 1 2 d SU
O11 O 0.8742(3) 0.8836(3) 0.2500 0.0201(13) Uani 1 2 d S
H11 H 0.8983 0.8465 0.2500 0.030 Uiso 1 2 d SR
OW1 O 0.5000 0.9992(7) 0.410(2) 0.027(3) Uani 0.50 2 d SP
K1 K 0.62112(10) 0.92284(10) 0.2500 0.0177(4) Uani 1 2 d S
K2 K 0.5834(3) 0.5000 0.5000 0.0282(13) Uani 0.50 2 d SP
OW2 O 0.5570(8) 0.5000 0.5000 0.036(5) Uani 0.50 2 d SP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
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
O2 Ge1 O3 98.34(18) . 12_655
O2 Ge1 O3 98.34(18) . .
O3 Ge1 O3 87.5(2) 12_655 .
O2 Ge1 O4 88.38(18) . .
O3 Ge1 O4 173.19(16) 12_655 .
O3 Ge1 O4 90.40(15) . .
O2 Ge1 O4 88.38(18) . 12_655
O3 Ge1 O4 90.40(15) 12_655 12_655
O3 Ge1 O4 173.19(16) . 12_655
O4 Ge1 O4 90.9(2) . 12_655
O2 Ge1 O1 176.5(3) . .
O3 Ge1 O1 84.18(17) 12_655 .
O3 Ge1 O1 84.18(17) . .
O4 Ge1 O1 89.16(17) . .
O4 Ge1 O1 89.16(17) 12_655 .
O2 Ge1 K1 47.40(12) . .
O3 Ge1 K1 144.70(11) 12_655 .
O3 Ge1 K1 89.58(11) . .
O4 Ge1 K1 95.85(11) 12_655 .
O1 Ge1 K1 130.48(12) . .
O2 Ge1 K1 47.40(12) . 3_655
O3 Ge1 K1 89.58(11) 12_655 3_655
O3 Ge1 K1 144.70(11) . 3_655
O4 Ge1 K1 95.85(11) . 3_655
O1 Ge1 K1 130.48(12) . 3_655
K1 Ge1 K1 73.08(6) . 3_655
O5 Fe1 O5 180.0 13_666 .
O5 Fe1 O6 90.93(17) 13_666 13_666
O5 Fe1 O6 89.07(17) . 13_666
O5 Fe1 O6 89.07(17) 13_666 .
O5 Fe1 O6 90.93(17) . .
O6 Fe1 O6 180.000(1) 13_666 .
O5 Fe1 O7 92.83(16) 13_666 13_666
O5 Fe1 O7 87.17(16) . 13_666
O6 Fe1 O7 103.38(15) 13_666 13_666
O6 Fe1 O7 76.62(15) . 13_666
O5 Fe1 O7 87.17(16) 13_666 .
O5 Fe1 O7 92.83(16) . .
O6 Fe1 O7 76.62(15) 13_666 .
O6 Fe1 O7 103.38(15) . .
O7 Fe1 O7 180.000(1) 13_666 .
O10 Fe2 O8 92.4(2) 11_576 13_666
O10 Fe2 O9 95.9(2) 11_576 .
O8 Fe2 O9 171.7(2) 13_666 .
O10 Fe2 O5 114.35(10) 11_576 13_666
O8 Fe2 O5 86.70(11) 13_666 13_666
O9 Fe2 O5 89.87(11) . 13_666
O10 Fe2 O5 114.35(10) 11_576 6_665
O8 Fe2 O5 86.70(11) 13_666 6_665
O9 Fe2 O5 89.87(11) . 6_665
O5 Fe2 O5 131.06(19) 13_666 6_665
O10 Fe2 K2 56.95(14) 11_576 6_665
O8 Fe2 K2 47.28(13) 13_666 6_665
O9 Fe2 K2 138.95(12) . 6_665
O5 Fe2 K2 127.85(11) 13_666 6_665
O5 Fe2 K2 77.25(9) 6_665 6_665
O10 Fe2 K2 56.95(14) 11_576 13_666
O8 Fe2 K2 47.28(13) 13_666 13_666
O9 Fe2 K2 138.95(12) . 13_666
O5 Fe2 K2 77.25(9) 13_666 13_666
O5 Fe2 K2 127.85(11) 6_665 13_666
K2 Fe2 K2 54.56(7) 6_665 13_666
O10 Fe2 K1 51.68(17) 11_576 11_576
O8 Fe2 K1 144.07(16) 13_666 11_576
O9 Fe2 K1 44.22(15) . 11_576
O5 Fe2 K1 106.70(9) 13_666 11_576
O5 Fe2 K1 106.70(9) 6_665 11_576
K2 Fe2 K1 102.27(6) 6_665 11_576
K2 Fe2 K1 102.27(6) 13_666 11_576
O8 P1 O3 108.19(18) . 10_556
O8 P1 O3 108.19(18) . .
O3 P1 O3 110.9(3) 10_556 .
O8 P1 O6 109.8(3) . .
O3 P1 O6 109.87(18) 10_556 .
O3 P1 O6 109.87(18) . .
O3 P1 K2 74.03(15) 10_556 10_556
O3 P1 K2 116.34(16) . 10_556
O6 P1 K2 128.43(18) . 10_556
O3 P1 K2 116.34(16) 10_556 .
O3 P1 K2 74.03(15) . .
O6 P1 K2 128.43(18) . .
K2 P1 K2 51.75(3) 10_556 .
O9 P2 O7 110.7(3) . .
O9 P2 O4 106.87(18) . .
O7 P2 O4 112.20(18) . .
O9 P2 O4 106.87(18) . 10_557
O7 P2 O4 112.20(18) . 10_557
O4 P2 O4 107.7(3) . 10_557
O9 P2 K1 70.23(5) . 1_556
O7 P2 K1 106.10(7) . 1_556
O4 P2 K1 139.39(15) . 1_556
O9 P2 K1 70.23(5) . .
O7 P2 K1 106.10(7) . .
O4 P2 K1 139.39(15) 10_557 .
K1 P2 K1 135.57(8) 1_556 .
O10 P3 O5 111.14(19) . 6_664
O10 P3 O5 111.14(19) . 13_666
O5 P3 O5 110.4(3) 6_664 13_666
O10 P3 O11 106.1(3) . .
O5 P3 O11 108.98(19) 6_664 .
O5 P3 O11 108.98(19) 13_666 .
O10 P3 K1 73.7(2) . .
O5 P3 K1 71.13(15) 6_664 .
O5 P3 K1 71.13(15) 13_666 .
O11 P3 K1 179.8(2) . .
O10 P3 K2 63.4(2) . 13_666
O5 P3 K2 153.40(16) 6_664 13_666
O5 P3 K2 95.21(15) 13_666 13_666
O11 P3 K2 53.44(19) . 13_666
K1 P3 K2 126.39(8) . 13_666
O10 P3 K2 63.4(2) . 6_664
O5 P3 K2 95.21(15) 6_664 6_664
O5 P3 K2 153.40(16) 13_666 6_664
O11 P3 K2 53.44(19) . 6_664
K1 P3 K2 126.39(8) . 6_664
K2 P3 K2 58.56(8) 13_666 6_664
Ge1 O1 Ge1 135.1(4) 10_557 .
Ge1 O1 H1 112.5 10_557 .
Ge1 O1 H1 112.5 . .
Ge1 O2 Ge1 128.0(4) 10_556 .
Ge1 O2 K1 105.99(8) 10_556 .
Ge1 O2 K1 105.99(8) . .
Ge1 O2 K1 105.99(8) 10_556 3_655
Ge1 O2 K1 105.99(8) . 3_655
K1 O2 K1 102.1(2) . 3_655
P1 O3 Ge1 130.3(2) . .
P2 O4 Ge1 131.4(2) . .
P2 O4 K1 114.79(17) . .
Ge1 O4 K1 110.95(16) . .
P3 O5 Fe1 127.7(2) 13_666 .
P3 O5 Fe2 124.3(2) 13_666 13_666
Fe1 O5 Fe2 102.35(16) . 13_666
P3 O5 K1 80.98(16) 13_666 13_666
Fe1 O5 K1 111.44(14) . 13_666
Fe2 O5 K1 104.14(13) 13_666 13_666
P1 O6 Fe1 123.86(14) . .
P1 O6 Fe1 123.86(14) . 6_664
Fe1 O6 Fe1 104.0(2) . 6_664
P2 O7 Fe1 127.65(14) . 6_665
P2 O7 Fe1 127.65(14) . .
Fe1 O7 Fe1 95.20(18) 6_665 .
P1 O8 Fe2 116.7(3) . 13_666
P1 O8 K2 127.0(2) . 10_556
Fe2 O8 K2 100.8(2) 13_666 10_556
P1 O8 K2 127.0(2) . .
Fe2 O8 K2 100.8(2) 13_666 .
K2 O8 K2 75.59(15) 10_556 .
P2 O9 Fe2 113.8(3) . .
P2 O9 K1 139.0(3) . 11_576
Fe2 O9 K1 107.2(2) . 11_576
P2 O9 K1 85.20(9) . .
Fe2 O9 K1 101.38(8) . .
K1 O9 K1 86.89(9) 11_576 .
P2 O9 K1 85.20(9) . 1_556
Fe2 O9 K1 101.38(8) . 1_556
K1 O9 K1 86.89(9) 11_576 1_556
K1 O9 K1 157.23(17) . 1_556
P3 O10 Fe2 178.1(4) . 11_575
P3 O10 K2 91.1(2) . 13_666
Fe2 O10 K2 90.48(17) 11_575 13_666
P3 O10 K2 91.1(2) . 6_664
Fe2 O10 K2 90.48(17) 11_575 6_664
K2 O10 K2 66.29(16) 13_666 6_664
P3 O10 K1 79.4(2) . .
Fe2 O10 K1 98.7(2) 11_575 .
K2 O10 K1 145.71(9) 13_666 .
K2 O10 K1 145.71(9) 6_664 .
P3 O11 K2 99.9(2) . 13_666
P3 O11 K2 99.9(2) . 6_664
K2 O11 K2 73.74(15) 13_666 6_664
P3 O11 H11 132.4 . .
K2 O11 H11 117.5 13_666 .
K2 O11 H11 117.5 6_664 .
OW1 OW1 K1 112.7(8) 9_676 3_655
OW1 OW1 K1 112.7(8) 9_676 .
K1 OW1 K1 104.8(4) 3_655 .
O4 K1 O4 103.06(16) 10_556 .
O4 K1 OW1 71.6(3) 10_556 10_556
O4 K1 OW1 105.8(2) . 10_556
O4 K1 OW1 105.8(2) 10_556 .
O4 K1 OW1 71.6(3) . .
OW1 K1 OW1 44.1(5) 10_556 .
O4 K1 O9 125.79(9) 10_556 11_575
O4 K1 O9 125.79(9) . 11_575
OW1 K1 O9 73.6(3) 10_556 11_575
OW1 K1 O9 73.6(3) . 11_575
O4 K1 O2 53.62(8) 10_556 .
O4 K1 O2 53.62(8) . .
OW1 K1 O2 71.7(2) 10_556 .
OW1 K1 O2 71.7(2) . .
O9 K1 O2 142.51(16) 11_575 .
O4 K1 O5 114.73(12) 10_556 13_666
O4 K1 O5 77.44(10) . 13_666
OW1 K1 O5 172.4(3) 10_556 13_666
OW1 K1 O5 133.4(3) . 13_666
O9 K1 O5 98.92(12) 11_575 13_666
O2 K1 O5 115.16(13) . 13_666
O4 K1 O5 77.44(10) 10_556 6_664
O4 K1 O5 114.73(12) . 6_664
OW1 K1 O5 133.4(3) 10_556 6_664
OW1 K1 O5 172.4(3) . 6_664
O9 K1 O5 98.92(12) 11_575 6_664
O2 K1 O5 115.16(13) . 6_664
O5 K1 O5 47.91(14) 13_666 6_664
O4 K1 O10 119.27(9) 10_556 .
O4 K1 O10 119.27(9) . .
OW1 K1 O10 126.9(2) 10_556 .
OW1 K1 O10 126.9(2) . .
O9 K1 O10 58.13(14) 11_575 .
O2 K1 O10 159.35(16) . .
O5 K1 O10 46.92(11) 13_666 .
O5 K1 O10 46.92(11) 6_664 .
O4 K1 P3 105.19(9) 10_556 .
O4 K1 P3 105.19(9) . .
OW1 K1 P3 148.8(2) 10_556 .
OW1 K1 P3 148.8(2) . .
O9 K1 P3 85.03(11) 11_575 .
O2 K1 P3 132.46(13) . .
O5 K1 P3 27.90(7) 13_666 .
O5 K1 P3 27.90(7) 6_664 .
O10 K1 P3 26.90(10) . .
O4 K1 O9 146.20(13) 10_556 .
O4 K1 O9 45.24(11) . .
OW1 K1 O9 121.9(3) 10_556 .
OW1 K1 O9 78.0(3) . .
O9 K1 O9 87.81(10) 11_575 .
O2 K1 O9 98.52(9) . .
O5 K1 O9 55.49(11) 13_666 .
O5 K1 O9 103.27(12) 6_664 .
O10 K1 O9 79.36(8) . .
P3 K1 O9 78.68(9) . .
O4 K1 O9 45.24(11) 10_556 1_554
O4 K1 O9 146.20(13) . 1_554
OW1 K1 O9 78.0(3) 10_556 1_554
OW1 K1 O9 121.9(3) . 1_554
O9 K1 O9 87.81(10) 11_575 1_554
O2 K1 O9 98.52(9) . 1_554
O5 K1 O9 103.27(12) 13_666 1_554
O5 K1 O9 55.49(11) 6_664 1_554
O10 K1 O9 79.36(8) . 1_554
P3 K1 O9 78.68(9) . 1_554
O9 K1 O9 157.23(17) . 1_554
OW2 K2 O8 110.02(14) 9_666 .
OW2 K2 O8 110.02(14) 9_666 11_566
O8 K2 O8 140.0(3) . 11_566
OW2 K2 O11 106.43(15) 9_666 13_666
O8 K2 O11 74.80(11) . 13_666
O8 K2 O11 93.92(14) 11_566 13_666
OW2 K2 O11 106.43(15) 9_666 7_645
O8 K2 O11 93.92(14) . 7_645
O8 K2 O11 74.80(11) 11_566 7_645
O11 K2 O11 147.1(3) 13_666 7_645
OW2 K2 O10 145.79(8) 9_666 13_666
O8 K2 O10 87.63(16) . 13_666
O8 K2 O10 58.34(15) 11_566 13_666
O11 K2 O10 48.70(15) 13_666 13_666
O11 K2 O10 101.08(19) 7_645 13_666
OW2 K2 O10 145.79(8) 9_666 7_645
O8 K2 O10 58.34(15) . 7_645
O8 K2 O10 87.63(16) 11_566 7_645
O11 K2 O10 101.08(19) 13_666 7_645
O11 K2 O10 48.70(15) 7_645 7_645
O10 K2 O10 68.42(16) 13_666 7_645
OW2 K2 K2 0.0 9_666 9_666
O8 K2 K2 110.02(14) . 9_666
O8 K2 K2 110.02(14) 11_566 9_666
O11 K2 K2 106.43(15) 13_666 9_666
O11 K2 K2 106.43(15) 7_645 9_666
O10 K2 K2 145.79(8) 13_666 9_666
O10 K2 K2 145.79(8) 7_645 9_666
OW2 K2 K2 90.0 9_666 10_557
O8 K2 K2 127.79(7) . 10_557
O8 K2 K2 52.21(7) 11_566 10_557
O11 K2 K2 53.13(8) 13_666 10_557
O11 K2 K2 126.87(8) 7_645 10_557
O10 K2 K2 56.85(8) 13_666 10_557
O10 K2 K2 123.15(8) 7_645 10_557
K2 K2 K2 90.0 9_666 10_557
OW2 K2 K2 90.0 9_666 10_556
O8 K2 K2 52.21(7) . 10_556
O8 K2 K2 127.79(7) 11_566 10_556
O11 K2 K2 126.87(8) 13_666 10_556
O11 K2 K2 53.13(8) 7_645 10_556
O10 K2 K2 123.15(8) 13_666 10_556
O10 K2 K2 56.85(8) 7_645 10_556
K2 K2 K2 90.0 9_666 10_556
K2 K2 K2 180.000(1) 10_557 10_556
OW2 K2 OW2 81.6(2) 9_666 10_556
O8 K2 OW2 56.18(15) . 10_556
O8 K2 OW2 131.00(11) 11_566 10_556
O11 K2 OW2 129.40(10) 13_666 10_556
O11 K2 OW2 56.46(14) 7_645 10_556
O10 K2 OW2 131.4(2) 13_666 10_556
O10 K2 OW2 65.1(3) 7_645 10_556
K2 K2 OW2 81.6(2) 9_666 10_556
K2 K2 OW2 171.6(2) 10_557 10_556
K2 K2 OW2 8.4(2) 10_556 10_556
OW2 K2 OW2 81.6(2) 9_666 10_557
O8 K2 OW2 131.00(11) . 10_557
O8 K2 OW2 56.18(15) 11_566 10_557
O11 K2 OW2 56.46(14) 13_666 10_557
O11 K2 OW2 129.40(10) 7_645 10_557
O10 K2 OW2 65.1(3) 13_666 10_557
O10 K2 OW2 131.4(2) 7_645 10_557
K2 K2 OW2 81.6(2) 9_666 10_557
K2 K2 OW2 8.4(2) 10_557 10_557
K2 K2 OW2 171.6(2) 10_556 10_557
OW2 K2 OW2 163.3(5) 10_556 10_557
K2 OW2 K2 98.4(2) 9_666 10_557
K2 OW2 K2 98.4(2) 9_666 10_556
K2 OW2 K2 163.3(5) 10_557 10_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 O2 1.770(3) .
Ge1 O3 1.868(3) 12_655
Ge1 O3 1.868(3) .
Ge1 O4 1.870(3) .
Ge1 O4 1.870(3) 12_655
Ge1 O1 1.913(3) .
Fe1 O5 2.050(4) 13_666
Fe1 O5 2.050(4) .
Fe1 O6 2.131(3) 13_666
Fe1 O6 2.131(3) .
Fe1 O7 2.274(3) 13_666
Fe1 O7 2.274(3) .
Fe2 O10 1.973(5) 11_576
Fe2 O8 1.973(5) 13_666
Fe2 O9 1.977(5) .
Fe2 O5 2.318(4) 13_666
Fe2 O5 2.318(4) 6_665
P1 O8 1.516(5) .
P1 O3 1.524(3) 10_556
P1 O3 1.524(3) .
P1 O6 1.531(5) .
P2 O9 1.514(5) .
P2 O7 1.526(5) .
P2 O4 1.537(4) .
P2 O4 1.537(4) 10_557
P3 O10 1.478(5) .
P3 O5 1.521(4) 6_664
P3 O5 1.521(4) 13_666
P3 O11 1.567(6) .
O1 Ge1 1.913(3) 10_557
O1 H1 0.7727 .
O2 Ge1 1.770(3) 10_556
O2 K1 2.909(5) .
O2 K1 2.909(5) 3_655
O4 K1 2.705(4) .
O5 P3 1.521(4) 13_666
O5 Fe2 2.318(4) 13_666
O5 K1 3.077(4) 13_666
O6 Fe1 2.131(3) 6_664
O7 Fe1 2.274(3) 6_665
O8 Fe2 1.973(5) 13_666
O8 K2 2.741(4) 10_556
O8 K2 2.741(4) .
O9 K1 2.884(5) 11_576
O9 K1 3.4264(14) .
O9 K1 3.4264(14) 1_556
O10 Fe2 1.973(5) 11_575
O10 K2 3.072(6) 13_666
O10 K2 3.072(6) 6_664
O10 K1 3.136(6) .
O11 K2 2.799(5) 13_666
O11 K2 2.799(5) 6_664
O11 H11 0.8048 .
OW1 OW1 1.22(3) 9_676
OW1 K1 2.855(9) 3_655
OW1 K1 2.855(9) .
K1 O4 2.705(4) 10_556
K1 OW1 2.855(9) 10_556
K1 O9 2.884(5) 11_575
K1 O5 3.077(4) 13_666
K1 O5 3.077(4) 6_664
K1 O9 3.4264(14) 1_554
K2 OW2 2.621(18) 9_666
K2 O8 2.741(4) 11_566
K2 O11 2.799(5) 13_666
K2 O11 2.799(5) 7_645
K2 O10 3.072(6) 13_666
K2 O10 3.072(6) 7_645
K2 K2 3.115(10) 9_666
K2 K2 3.3590(10) 10_557
K2 K2 3.3590(10) 10_556
K2 OW2 3.395(2) 10_556
K2 OW2 3.395(2) 10_557
OW2 K2 2.621(18) 9_666
OW2 K2 3.395(2) 10_557
OW2 K2 3.395(2) 10_556
