#------------------------------------------------------------------------------
#$Date: 2025-11-29 00:36:08 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303482 $
#$URL: svn://www.crystallography.net/cod/cif/7/25/13/7251354.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_7251354
loop_
_publ_author_name
'Zhang, Hengyuan'
'Wu, Jipeng'
'Ma, Yidong'
'Chen, Feifei'
'Zhao, Xian'
_publ_section_title
;
 Single-Crystal Ca₃Ge₃O₉ Calcium Germanate:
 Structure, Thermal and Optical Properties from Experiment and
 First-Principles
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D5CE00913H
_journal_year                    2025
_chemical_formula_moiety         'Ca3 Ge3 O9'
_chemical_formula_sum            'Ca3 Ge3 O9'
_chemical_formula_weight         482.01
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_primary     dual
_audit_creation_date             2024-07-15
_audit_creation_method
;
Olex2 1.5-beta
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-11-18 deposited with the CCDC.	2025-11-19 downloaded from the CCDC.
;
_cell_angle_alpha                103.497(2)
_cell_angle_beta                 94.404(2)
_cell_angle_gamma                90.088(2)
_cell_formula_units_Z            2
_cell_length_a                   7.2858(2)
_cell_length_b                   7.55010(10)
_cell_length_c                   8.1252(2)
_cell_measurement_reflns_used    5615
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.7610
_cell_measurement_theta_min      5.5820
_cell_volume                     433.241(17)
_computing_cell_refinement       'CrysAlisPro 1.171.43.118a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.118a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.118a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -34.00  20.00   0.50    0.05    --   42.82 -38.00 150.00  108
  2  ω    -73.00 -23.00   0.50    0.05    --  -42.82  95.00  70.00  100
  3  ω    -12.00  27.00   0.50    0.05    --  -42.82  95.00  70.00   78
  4  ω    -71.00 -31.00   0.50    0.05    -- -105.00  61.00-180.00   80
  5  ω    -27.00  40.00   0.50    0.05    --   42.82 -38.00-180.00  134
  6  ω    -37.00  21.00   0.50    0.05    --   42.82 -19.00-120.00  116
  7  ω     92.00 175.00   0.50    0.05    --  112.94  61.00 -30.00  166
  8  ω     86.00 173.00   0.50    0.05    --  112.94  95.00  70.00  174
  9  ω     88.00 114.00   0.50    0.05    --  112.94  77.00-150.00   52
 10  ω    125.00 176.00   0.50    0.05    --  112.94  77.00-150.00  102
 11  ω     40.00  69.00   0.50    0.05    --  112.94 -61.00-180.00   58
 12  ω     71.00  96.00   0.50    0.05    --  112.94 -77.00 -90.00   50
 13  ω     78.00 105.00   0.50    0.05    --  112.94 -77.00 -30.00   54
 14  ω     41.00  67.00   0.50    0.05    --  112.94 -61.00 -30.00   52
 15  ω     46.00  71.00   0.50    0.05    --  112.94 -77.00 -30.00   50
 16  ω     42.00  70.00   0.50    0.05    --  112.94 -61.00   0.00   56
 17  ω     42.00  70.00   0.50    0.05    --  112.94 -61.00  30.00   56
 18  ω     40.00  71.00   0.50    0.05    --  112.94 -77.00 120.00   62
 19  ω    -22.00  73.00   0.50    0.05    --   42.82 -95.00 -40.00  190
 20  ω     49.00 103.00   0.50    0.05    --  112.94 -95.00-150.00  108
 21  ω     70.00 100.00   0.50    0.05    --  112.94 -95.00 -40.00   60
 22  ω   -112.00 -36.00   0.50    0.05    -- -105.00 125.00-120.00  152
 23  ω   -108.00 -72.00   0.50    0.05    -- -105.00 125.00  90.00   72
 24  ω   -112.00 -71.00   0.50    0.05    -- -105.00 125.00 150.00   82
 25  ω    -98.00 -66.00   0.50    0.05    -- -105.00  95.00  70.00   64
 26  ω    -64.00 -32.00   0.50    0.05    -- -105.00  95.00  70.00   64
 27  ω   -124.00 -99.00   0.50    0.05    -- -105.00 -45.00 150.00   50
 28  ω   -162.00-129.00   0.50    0.05    -- -105.00 -77.00 -90.00   66
 29  ω   -119.00 -84.00   0.50    0.05    -- -105.00 -77.00 -90.00   70
 30  ω   -172.00 -85.00   0.50    0.05    -- -105.00 -61.00-120.00  174
 31  ω   -144.00-115.00   0.50    0.05    -- -105.00 -77.00-180.00   58
 32  ω   -109.00 -84.00   0.50    0.05    -- -105.00 -77.00-180.00   50
 33  ω   -170.00-128.00   0.50    0.05    -- -105.00 -45.00 150.00   84
 34  ω   -140.00 -88.00   0.50    0.05    -- -105.00 -95.00 -40.00  104
 35  ω   -120.00 -43.00   0.50    0.05    --  -42.82-178.00 -30.00  154
 36  ω    -83.00 -49.00   0.50    0.05    --  -42.82-178.00 120.00   68
 37  ω     82.00 107.00   0.50    0.05    --   43.80 178.00  30.00   50
 38  ω    -33.00  -7.00   0.50    0.05    --   43.80 -19.00 -60.00   52
 39  ω   -124.00 -99.00   0.50    0.05    -- -105.00 142.00   2.22   50
 40  ω   -112.00 -87.00   0.50    0.05    -- -105.00 125.00 120.00   50
 41  ω   -118.00 -21.00   0.50    0.05    --  -43.80 -57.00  30.00  194
 42  ω   -118.00 -21.00   0.50    0.05    --  -43.80 -57.00-180.00  194
 43  ω   -118.00 -21.00   0.50    0.05    --  -43.80 -57.00 -30.00  194
 44  ω   -118.00 -21.00   0.50    0.05    --  -43.80 -57.00  90.00  194
 45  ω    -43.00  33.00   0.50    0.05    --  -43.80  38.00  90.00  152
 46  ω   -118.00 -15.00   0.50    0.05    --  -43.80 -77.00  30.00  206
 47  ω   -118.00 -15.00   0.50    0.05    --  -43.80 -77.00-180.00  206
 48  ω   -118.00 -15.00   0.50    0.05    --  -43.80 -77.00 -60.00  206
 49  ω   -118.00 -15.00   0.50    0.05    --  -43.80 -77.00  90.00  206
 50  ω   -118.00 -21.00   0.50    0.05    --  -43.80 -57.00 -60.00  194
 51  ω     15.00 118.00   0.50    0.05    --   43.80  77.00 -60.00  206
 52  ω   -175.00-125.00   0.50    0.05    -- -105.00 -77.00   0.00  100
 53  ω   -175.00 -81.00   0.50    0.05    -- -105.00 -61.00  90.00  188
 54  ω   -175.00 -76.00   0.50    0.05    -- -105.00 -76.00-145.50  198
 55  ω   -175.00 -76.00   0.50    0.05    -- -105.00 -77.00 -30.00  198
 56  ω   -175.00 -82.00   0.50    0.05    -- -105.00 -42.00 117.18  186
 57  ω     91.00 176.00   0.50    0.05    --  113.59  61.00  30.00  170
 58  ω     91.00 176.00   0.50    0.05    --  113.59  61.00   0.00  170
 59  ω    -49.00 -24.00   0.50    0.05    --  -43.80  95.00  70.00   50
 60  ω    -49.00 -24.00   0.50    0.05    --  -43.80  95.00  70.00   50
 61  ω     49.00  74.00   0.50    0.05    --  113.59 -94.00 -39.00   50
 62  ω    -41.00 -15.00   0.50    0.05    --  -43.80 -77.00-150.00   52
 63  ω   -109.00 -83.00   0.50    0.05    -- -105.00 -61.00-180.00   52
 64  ω   -107.00 -82.00   0.50    0.05    -- -105.00 -46.00 109.25   50
 65  ω   -165.00-139.00   0.50    0.05    -- -105.00 -61.00-180.00   52
 66  ω   -106.00 -81.00   0.50    0.05    -- -105.00 -65.00 111.63   50
 67  ω   -168.00-143.00   0.50    0.05    -- -105.00 -61.00  30.00   50
 68  ω   -106.00 -81.00   0.50    0.05    -- -105.00 -61.00  30.00   50
 69  ω   -102.00 -76.00   0.50    0.05    -- -105.00 -77.00-120.00   52
 70  ω   -155.00-129.00   0.50    0.05    -- -105.00 -74.00  12.43   52
 71  ω   -102.00 -77.00   0.50    0.05    -- -105.00 -74.00  12.43   50
 72  ω    -71.00 -46.00   0.50    0.05    -- -105.00  61.00 -90.00   50
 73  ω   -105.00 -79.00   0.50    0.05    -- -105.00 -72.00 162.24   52
 74  ω   -102.00 -76.00   0.50    0.05    -- -105.00 -77.00  60.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0942372000
_diffrn_orient_matrix_UB_12      0.0506418000
_diffrn_orient_matrix_UB_13      0.1675957000
_diffrn_orient_matrix_UB_21      0.1317952000
_diffrn_orient_matrix_UB_22      0.1658326000
_diffrn_orient_matrix_UB_23      0.0629795000
_diffrn_orient_matrix_UB_31      -0.1369042000
_diffrn_orient_matrix_UB_32      0.1182603000
_diffrn_orient_matrix_UB_33      -0.0787805000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7948
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        66.596
_diffrn_reflns_theta_max         66.596
_diffrn_reflns_theta_min         5.617
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    28.255
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.118a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.695
_exptl_crystal_description       block
_exptl_crystal_F_000             456
_exptl_crystal_recrystallization_method 'From the Melt'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.897
_refine_diff_density_min         -1.010
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1524
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0483P)²+0.0111P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0760
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1422
_reflns_number_total             1524
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5ce00913h1.cif
_cod_data_source_block           8133_auto
_cod_database_code               7251354
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         CacoBiGe
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.164
_shelx_estimated_absorpt_t_min   0.080
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 5.103
_oxdiff_exptl_absorpt_empirical_full_min 0.574
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.44842(6) -0.22662(6) 0.09406(5) 0.00703(17) Uani 1 1 d . . . . .
Ge2 Ge 0.22765(6) 0.10708(6) 0.31862(5) 0.00705(16) Uani 1 1 d . . . . .
Ge3 Ge 0.22427(6) 0.55461(6) 0.32259(5) 0.00689(16) Uani 1 1 d . . . . .
Ca2 Ca -0.26188(11) 0.57443(10) 0.29518(10) 0.0095(2) Uani 1 1 d . . . . .
Ca3 Ca 0.25911(11) 0.92551(10) 0.70723(10) 0.0081(2) Uani 1 1 d . . . . .
Ca1 Ca 0.97315(11) -0.25313(10) -0.00924(9) 0.0081(2) Uani 1 1 d . . . . .
O3 O 0.4217(4) -0.0046(3) 0.2238(3) 0.0117(6) Uani 1 1 d . U . . .
O1 O 0.6852(4) -0.2299(4) 0.0946(3) 0.0087(6) Uani 1 1 d . . . . .
O9 O 0.4187(4) 0.6308(4) 0.2381(4) 0.0143(6) Uani 1 1 d . . . . .
O2 O 0.2914(4) -0.2751(4) -0.0810(3) 0.0103(6) Uani 1 1 d . . . . .
O7 O 0.0279(4) 0.5692(4) 0.1923(3) 0.0116(6) Uani 1 1 d . . . . .
O4 O 0.0310(4) 0.0287(4) 0.1890(3) 0.0107(6) Uani 1 1 d . . . . .
O5 O 0.2312(4) 0.1233(4) 0.5306(3) 0.0155(7) Uani 1 1 d . . . . .
O8 O 0.2239(4) 0.6384(4) 0.5365(4) 0.0157(7) Uani 1 1 d . . . . .
O6 O 0.2665(5) 0.3225(4) 0.2792(4) 0.0234(8) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ca Ca 0.3641 1.2855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
_geom_angle_publ_flag
Ca2 Ge1 Ca3 73.27(2) 1_645 2_666 ?
Ca2 Ge1 Ca1 136.63(2) 1_645 1_455 ?
Ca3 Ge1 Ca1 136.88(2) 2_666 1_455 ?
O3 Ge1 Ca2 106.82(10) . 1_645 ?
O3 Ge1 Ca3 48.31(9) . 2_666 ?
O3 Ge1 Ca1 89.00(9) . 1_455 ?
O3 Ge1 O9 102.46(13) . 1_545 ?
O1 Ge1 Ca2 50.33(9) . 1_645 ?
O1 Ge1 Ca3 51.40(9) . 2_666 ?
O1 Ge1 Ca1 166.65(9) . 1_455 ?
O1 Ge1 O3 99.61(12) . . ?
O1 Ge1 O9 99.05(13) . 1_545 ?
O9 Ge1 Ca2 48.72(9) 1_545 1_645 ?
O9 Ge1 Ca3 104.23(9) 1_545 2_666 ?
O9 Ge1 Ca1 88.93(9) 1_545 1_455 ?
O2 Ge1 Ca2 139.97(9) . 1_645 ?
O2 Ge1 Ca3 141.75(9) . 2_666 ?
O2 Ge1 Ca1 39.68(9) . 1_455 ?
O2 Ge1 O3 112.41(13) . . ?
O2 Ge1 O1 126.97(12) . . ?
O2 Ge1 O9 112.97(12) . 1_545 ?
Ca2 Ge2 Ca3 94.50(2) 2_566 2_566 ?
Ca1 Ge2 Ca2 114.21(2) 2_655 2_566 ?
Ca1 Ge2 Ca3 65.97(2) 2_655 2_566 ?
O3 Ge2 Ca2 123.08(9) . 2_566 ?
O3 Ge2 Ca3 141.29(9) . 2_566 ?
O3 Ge2 Ca1 101.80(10) . 2_655 ?
O4 Ge2 Ca2 127.97(10) . 2_566 ?
O4 Ge2 Ca3 34.49(9) . 2_566 ?
O4 Ge2 Ca1 49.50(9) . 2_655 ?
O4 Ge2 O3 108.95(13) . . ?
O4 Ge2 O6 103.02(15) . . ?
O5 Ge2 Ca2 38.46(9) . 2_566 ?
O5 Ge2 Ca3 89.12(11) . 2_566 ?
O5 Ge2 Ca1 143.60(11) . 2_655 ?
O5 Ge2 O3 113.80(14) . . ?
O5 Ge2 O4 119.95(14) . . ?
O5 Ge2 O6 110.17(14) . . ?
O6 Ge2 Ca2 71.83(11) . 2_566 ?
O6 Ge2 Ca3 102.54(11) . 2_566 ?
O6 Ge2 Ca1 55.09(11) . 2_655 ?
O6 Ge2 O3 98.20(13) . . ?
Ca2 Ge3 Ca2 95.27(2) 2_566 . ?
Ca2 Ge3 Ca3 91.19(2) . . ?
Ca2 Ge3 Ca3 63.798(19) 2_566 . ?
Ca1 Ge3 Ca2 114.40(2) 2_655 2_566 ?
Ca1 Ge3 Ca2 66.49(2) 2_655 . ?
Ca1 Ge3 Ca3 157.61(2) 2_655 . ?
O9 Ge3 Ca2 141.19(9) . . ?
O9 Ge3 Ca2 121.48(10) . 2_566 ?
O9 Ge3 Ca3 94.23(9) . . ?
O9 Ge3 Ca1 104.29(9) . 2_655 ?
O7 Ge3 Ca2 128.72(9) . 2_566 ?
O7 Ge3 Ca2 34.51(9) . . ?
O7 Ge3 Ca3 112.00(10) . . ?
O7 Ge3 Ca1 49.96(9) . 2_655 ?
O7 Ge3 O9 109.72(13) . . ?
O7 Ge3 O6 103.48(15) . . ?
O8 Ge3 Ca2 88.43(11) . . ?
O8 Ge3 Ca2 37.45(9) . 2_566 ?
O8 Ge3 Ca3 27.07(9) . . ?
O8 Ge3 Ca1 142.41(10) . 2_655 ?
O8 Ge3 O9 112.48(14) . . ?
O8 Ge3 O7 119.68(14) . . ?
O8 Ge3 O6 109.74(15) . . ?
O6 Ge3 Ca2 103.67(11) . . ?
O6 Ge3 Ca2 72.35(11) . 2_566 ?
O6 Ge3 Ca3 134.76(11) . . ?
O6 Ge3 Ca1 54.87(12) . 2_655 ?
O6 Ge3 O9 99.43(14) . . ?
Ge1 Ca2 Ge2 98.79(2) 1_465 2_566 ?
Ge1 Ca2 Ge3 133.68(3) 1_465 . ?
Ge1 Ca2 Ge3 137.34(3) 1_465 2_566 ?
Ge1 Ca2 Ca1 71.73(2) 1_465 1_465 ?
Ge1 Ca2 Ca1 112.60(3) 1_465 2_655 ?
Ge2 Ca2 Ge3 88.43(2) 2_566 . ?
Ge2 Ca2 Ca1 109.41(2) 2_566 1_465 ?
Ge2 Ca2 Ca1 140.66(3) 2_566 2_655 ?
Ge3 Ca2 Ge2 58.243(17) 2_566 2_566 ?
Ge3 Ca2 Ge3 84.73(2) 2_566 . ?
Ge3 Ca2 Ca1 52.836(18) . 2_655 ?
Ge3 Ca2 Ca1 105.76(3) 2_566 2_655 ?
Ge3 Ca2 Ca1 146.42(3) 2_566 1_465 ?
Ge3 Ca2 Ca1 62.82(2) . 1_465 ?
Ca1 Ca2 Ca1 62.33(2) 1_465 2_655 ?
O1 Ca2 Ge1 32.78(6) 1_465 1_465 ?
O1 Ca2 Ge2 101.52(6) 1_465 2_566 ?
O1 Ca2 Ge3 159.12(7) 1_465 2_566 ?
O1 Ca2 Ge3 100.90(7) 1_465 . ?
O1 Ca2 Ca1 39.66(7) 1_465 1_465 ?
O1 Ca2 Ca1 93.40(7) 1_465 2_655 ?
O1 Ca2 O2 97.09(9) 1_465 2 ?
O9 Ca2 Ge1 34.14(6) 1_455 1_465 ?
O9 Ca2 Ge2 93.35(7) 1_455 2_566 ?
O9 Ca2 Ge3 167.80(7) 1_455 . ?
O9 Ca2 Ge3 106.45(7) 1_455 2_566 ?
O9 Ca2 Ca1 105.33(7) 1_455 1_465 ?
O9 Ca2 Ca1 125.93(7) 1_455 2_655 ?
O9 Ca2 O1 66.92(9) 1_455 1_465 ?
O9 Ca2 O2 90.49(9) 1_455 2 ?
O2 Ca2 Ge1 94.80(7) 2 1_465 ?
O2 Ca2 Ge2 161.02(7) 2 2_566 ?
O2 Ca2 Ge3 102.87(7) 2 2_566 ?
O2 Ca2 Ge3 91.72(7) 2 . ?
O2 Ca2 Ca1 40.34(6) 2 2_655 ?
O2 Ca2 Ca1 87.38(6) 2 1_465 ?
O7 Ca2 Ge1 111.91(7) . 1_465 ?
O7 Ca2 Ge2 105.76(7) . 2_566 ?
O7 Ca2 Ge3 109.04(8) . 2_566 ?
O7 Ca2 Ge3 24.95(7) . . ?
O7 Ca2 Ca1 41.30(7) . 2_655 ?
O7 Ca2 Ca1 40.32(7) . 1_465 ?
O7 Ca2 O1 79.93(10) . 1_465 ?
O7 Ca2 O9 144.50(10) . 1_455 ?
O7 Ca2 O2 81.05(9) . 2 ?
O7 Ca2 O5 95.84(10) . 2_566 ?
O7 Ca2 O8 100.51(11) . 2_566 ?
O5 Ca2 Ge1 80.24(8) 2_566 1_465 ?
O5 Ca2 Ge2 26.21(7) 2_566 2_566 ?
O5 Ca2 Ge3 87.99(8) 2_566 . ?
O5 Ca2 Ge3 84.31(7) 2_566 2_566 ?
O5 Ca2 Ca1 137.11(8) 2_566 2_655 ?
O5 Ca2 Ca1 86.06(7) 2_566 1_465 ?
O5 Ca2 O1 75.89(9) 2_566 1_465 ?
O5 Ca2 O9 88.31(10) 2_566 1_455 ?
O5 Ca2 O2 172.77(10) 2_566 2 ?
O8 Ca2 Ge1 144.97(9) 2_566 1_465 ?
O8 Ca2 Ge2 84.27(7) 2_566 2_566 ?
O8 Ca2 Ge3 81.06(8) 2_566 . ?
O8 Ca2 Ge3 26.24(7) 2_566 2_566 ?
O8 Ca2 Ca1 140.20(8) 2_566 1_465 ?
O8 Ca2 Ca1 83.15(8) 2_566 2_655 ?
O8 Ca2 O1 173.89(10) 2_566 1_465 ?
O8 Ca2 O9 111.11(11) 2_566 1_455 ?
O8 Ca2 O2 77.02(9) 2_566 2 ?
O8 Ca2 O5 110.05(11) 2_566 2_566 ?
Ge1 Ca3 Ge2 133.73(3) 2_666 2_566 ?
Ge1 Ca3 Ge3 138.28(3) 2_666 . ?
Ge1 Ca3 Ca2 126.57(3) 2_666 2_566 ?
Ge1 Ca3 Ca1 113.16(2) 2_666 1_466 ?
Ge1 Ca3 Ca1 71.78(2) 2_666 2_666 ?
Ge2 Ca3 Ge3 85.33(2) 2_566 . ?
Ge2 Ca3 Ca2 87.21(2) 2_566 2_566 ?
Ge2 Ca3 Ca1 52.914(18) 2_566 1_466 ?
Ge2 Ca3 Ca1 62.81(2) 2_566 2_666 ?
Ge3 Ca3 Ca2 55.363(16) . 2_566 ?
Ge3 Ca3 Ca1 102.08(2) . 1_466 ?
Ca1 Ca3 Ge3 147.84(3) 2_666 . ?
Ca1 Ca3 Ca2 59.787(19) 1_466 2_566 ?
Ca1 Ca3 Ca2 122.54(3) 2_666 2_566 ?
Ca1 Ca3 Ca1 63.11(2) 2_666 1_466 ?
O3 Ca3 Ge1 33.76(6) 2_666 2_666 ?
O3 Ca3 Ge2 167.16(7) 2_666 2_566 ?
O3 Ca3 Ge3 107.46(7) 2_666 . ?
O3 Ca3 Ca2 100.90(7) 2_666 2_566 ?
O3 Ca3 Ca1 104.34(7) 2_666 2_666 ?
O3 Ca3 Ca1 123.06(7) 2_666 1_466 ?
O3 Ca3 O1 66.46(9) 2_666 2_666 ?
O3 Ca3 O2 87.60(9) 2_666 1_566 ?
O1 Ca3 Ge1 32.76(6) 2_666 2_666 ?
O1 Ca3 Ge2 100.97(7) 2_666 2_566 ?
O1 Ca3 Ge3 162.31(7) 2_666 . ?
O1 Ca3 Ca2 140.69(7) 2_666 2_566 ?
O1 Ca3 Ca1 39.94(6) 2_666 2_666 ?
O1 Ca3 Ca1 94.80(6) 2_666 1_466 ?
O1 Ca3 O2 99.55(9) 2_666 1_566 ?
O2 Ca3 Ge1 95.78(6) 1_566 2_666 ?
O2 Ca3 Ge2 92.14(6) 1_566 2_566 ?
O2 Ca3 Ge3 96.68(6) 1_566 . ?
O2 Ca3 Ca2 41.35(6) 1_566 2_566 ?
O2 Ca3 Ca1 89.21(6) 1_566 2_666 ?
O2 Ca3 Ca1 40.89(6) 1_566 1_466 ?
O4 Ca3 Ge1 112.27(7) 2_566 2_666 ?
O4 Ca3 Ge2 24.82(7) 2_566 2_566 ?
O4 Ca3 Ge3 108.85(7) 2_566 . ?
O4 Ca3 Ca2 94.16(7) 2_566 2_566 ?
O4 Ca3 Ca1 40.66(7) 2_566 2_666 ?
O4 Ca3 Ca1 41.37(7) 2_566 1_466 ?
O4 Ca3 O3 143.07(10) 2_566 2_666 ?
O4 Ca3 O1 80.53(9) 2_566 2_666 ?
O4 Ca3 O2 81.78(10) 2_566 1_566 ?
O5 Ca3 Ge1 81.34(8) 1_565 2_666 ?
O5 Ca3 Ge2 88.17(8) 1_565 2_566 ?
O5 Ca3 Ge3 87.08(7) 1_565 . ?
O5 Ca3 Ca2 142.40(7) 1_565 2_566 ?
O5 Ca3 Ca1 87.59(7) 1_565 2_666 ?
O5 Ca3 Ca1 138.28(8) 1_565 1_466 ?
O5 Ca3 O3 91.27(11) 1_565 2_666 ?
O5 Ca3 O1 76.72(9) 1_565 2_666 ?
O5 Ca3 O2 176.24(10) 1_565 1_566 ?
O5 Ca3 O4 97.03(11) 1_565 2_566 ?
O8 Ca3 Ge1 144.37(9) . 2_666 ?
O8 Ca3 Ge2 81.80(8) . 2_566 ?
O8 Ca3 Ge3 19.84(7) . . ?
O8 Ca3 Ca2 36.03(7) . 2_566 ?
O8 Ca3 Ca1 84.52(8) . 1_466 ?
O8 Ca3 Ca1 141.71(8) . 2_666 ?
O8 Ca3 O3 110.61(11) . 2_666 ?
O8 Ca3 O1 175.97(11) . 2_666 ?
O8 Ca3 O2 77.34(9) . 1_566 ?
O8 Ca3 O4 101.41(11) . 2_566 ?
O8 Ca3 O5 106.41(11) . 1_565 ?
Ge1 Ca1 Ca2 111.09(3) 1_655 1_645 ?
Ge1 Ca1 Ca3 110.89(2) 1_655 2_666 ?
Ge2 Ca1 Ge1 123.96(2) 2_655 1_655 ?
Ge2 Ca1 Ge3 62.927(17) 2_655 2_655 ?
Ge2 Ca1 Ca2 124.74(3) 2_655 1_645 ?
Ge2 Ca1 Ca3 90.93(2) 2_655 2_666 ?
Ge3 Ca1 Ge1 123.44(2) 2_655 1_655 ?
Ge3 Ca1 Ca2 91.98(2) 2_655 1_645 ?
Ge3 Ca1 Ca3 125.55(3) 2_655 2_666 ?
Ca3 Ca1 Ca2 63.62(2) 2_666 1_645 ?
O1 Ca1 Ge1 145.82(7) . 1_655 ?
O1 Ca1 Ge2 84.45(7) . 2_655 ?
O1 Ca1 Ge3 84.64(7) . 2_655 ?
O1 Ca1 Ca2 42.60(7) . 1_645 ?
O1 Ca1 Ca3 43.76(6) . 2_666 ?
O1 Ca1 O2 172.63(9) . 1_655 ?
O1 Ca1 O7 82.21(10) . 1_645 ?
O1 Ca1 O7 103.74(9) . 2_655 ?
O1 Ca1 O4 103.85(10) . 2_655 ?
O1 Ca1 O4 83.68(10) . 1_655 ?
O1 Ca1 O6 74.15(9) . 2_655 ?
O2 Ca1 Ge1 26.92(6) 1_655 1_655 ?
O2 Ca1 Ge2 102.36(7) 1_655 2_655 ?
O2 Ca1 Ge3 100.89(6) 1_655 2_655 ?
O2 Ca1 Ca2 131.57(7) 1_655 1_645 ?
O2 Ca1 Ca3 132.28(7) 1_655 2_666 ?
O2 Ca1 O7 79.23(9) 1_655 2_655 ?
O2 Ca1 O4 81.15(10) 1_655 2_655 ?
O2 Ca1 O6 113.11(9) 1_655 2_655 ?
O7 Ca1 Ge1 95.30(7) 2_655 1_655 ?
O7 Ca1 Ge1 74.38(7) 1_645 1_655 ?
O7 Ca1 Ge2 90.52(7) 2_655 2_655 ?
O7 Ca1 Ge2 159.51(7) 1_645 2_655 ?
O7 Ca1 Ge3 100.26(7) 1_645 2_655 ?
O7 Ca1 Ge3 32.05(7) 2_655 2_655 ?
O7 Ca1 Ca2 88.93(7) 2_655 1_645 ?
O7 Ca1 Ca2 39.66(7) 1_645 1_645 ?
O7 Ca1 Ca3 90.14(7) 1_645 2_666 ?
O7 Ca1 Ca3 147.06(7) 2_655 2_666 ?
O7 Ca1 O2 91.95(10) 1_645 1_655 ?
O7 Ca1 O7 77.69(10) 1_645 2_655 ?
O7 Ca1 O4 168.43(9) 1_645 2_655 ?
O7 Ca1 O4 94.74(10) 1_645 1_655 ?
O7 Ca1 O6 127.35(9) 1_645 2_655 ?
O7 Ca1 O6 63.86(9) 2_655 2_655 ?
O4 Ca1 Ge1 74.00(7) 1_655 1_655 ?
O4 Ca1 Ge1 95.78(7) 2_655 1_655 ?
O4 Ca1 Ge2 32.00(6) 2_655 2_655 ?
O4 Ca1 Ge2 99.19(7) 1_655 2_655 ?
O4 Ca1 Ge3 159.53(8) 1_655 2_655 ?
O4 Ca1 Ge3 90.20(6) 2_655 2_655 ?
O4 Ca1 Ca2 90.74(7) 1_655 1_645 ?
O4 Ca1 Ca2 145.84(7) 2_655 1_645 ?
O4 Ca1 Ca3 39.99(7) 1_655 2_666 ?
O4 Ca1 Ca3 87.73(7) 2_655 2_666 ?
O4 Ca1 O2 92.37(9) 1_655 1_655 ?
O4 Ca1 O7 168.38(10) 1_655 2_655 ?
O4 Ca1 O7 109.81(10) 2_655 2_655 ?
O4 Ca1 O4 76.40(10) 1_655 2_655 ?
O4 Ca1 O6 64.17(9) 2_655 2_655 ?
O4 Ca1 O6 127.42(10) 1_655 2_655 ?
O6 Ca1 Ge1 140.03(7) 2_655 1_655 ?
O6 Ca1 Ge2 32.96(6) 2_655 2_655 ?
O6 Ca1 Ge3 32.47(6) 2_655 2_655 ?
O6 Ca1 Ca2 102.63(7) 2_655 1_645 ?
O6 Ca1 Ca3 102.85(7) 2_655 2_666 ?
Ge1 O3 Ge2 132.04(16) . . ?
Ge1 O3 Ca3 97.93(12) . 2_666 ?
Ge2 O3 Ca3 128.46(13) . 2_666 ?
Ge1 O1 Ca2 96.89(11) . 1_645 ?
Ge1 O1 Ca3 95.84(12) . 2_666 ?
Ge1 O1 Ca1 159.10(15) . . ?
Ca2 O1 Ca3 99.73(10) 1_645 2_666 ?
Ca1 O1 Ca2 97.74(10) . 1_645 ?
Ca1 O1 Ca3 96.30(9) . 2_666 ?
Ge1 O9 Ca2 97.14(12) 1_565 1_655 ?
Ge3 O9 Ge1 133.80(17) . 1_565 ?
Ge3 O9 Ca2 129.04(14) . 1_655 ?
Ge1 O2 Ca2 124.84(14) . 2 ?
Ge1 O2 Ca3 122.33(12) . 1_544 ?
Ge1 O2 Ca1 113.39(13) . 1_455 ?
Ca2 O2 Ca3 96.58(9) 2 1_544 ?
Ca1 O2 Ca2 97.76(9) 1_455 2 ?
Ca1 O2 Ca3 95.90(10) 1_455 1_544 ?
Ge3 O7 Ca2 120.54(14) . . ?
Ge3 O7 Ca1 129.80(14) . 1_465 ?
Ge3 O7 Ca1 97.99(12) . 2_655 ?
Ca2 O7 Ca1 100.80(10) . 2_655 ?
Ca2 O7 Ca1 100.03(11) . 1_465 ?
Ca1 O7 Ca1 102.31(10) 1_465 2_655 ?
Ge2 O4 Ca3 120.69(13) . 2_566 ?
Ge2 O4 Ca1 98.50(12) . 2_655 ?
Ge2 O4 Ca1 129.47(15) . 1_455 ?
Ca3 O4 Ca1 100.22(11) 2_566 2_655 ?
Ca3 O4 Ca1 99.35(10) 2_566 1_455 ?
Ca1 O4 Ca1 103.60(10) 1_455 2_655 ?
Ge2 O5 Ca2 115.34(14) . 2_566 ?
Ge2 O5 Ca3 136.39(15) . 1_545 ?
Ca3 O5 Ca2 107.46(11) 1_545 2_566 ?
Ge3 O8 Ca2 116.31(14) . 2_566 ?
Ge3 O8 Ca3 133.09(15) . . ?
Ca3 O8 Ca2 108.97(12) . 2_566 ?
Ge2 O6 Ca1 91.96(13) . 2_655 ?
Ge3 O6 Ge2 149.59(19) . . ?
Ge3 O6 Ca1 92.66(14) . 2_655 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 Ca2 3.1635(10) 1_645 ?
Ge1 Ca3 3.1717(9) 2_666 ?
Ge1 Ca1 3.4940(9) 1_455 ?
Ge1 O3 1.780(2) . ?
Ge1 O1 1.725(3) . ?
Ge1 O9 1.789(3) 1_545 ?
Ge1 O2 1.724(3) . ?
Ge2 Ca2 3.4709(9) 2_566 ?
Ge2 Ca3 3.5413(9) 2_566 ?
Ge2 Ca1 3.2264(9) 2_655 ?
Ge2 O3 1.781(3) . ?
Ge2 O4 1.728(3) . ?
Ge2 O5 1.696(3) . ?
Ge2 O6 1.756(3) . ?
Ge3 Ca2 3.4572(9) 2_566 ?
Ge3 Ca2 3.5375(9) . ?
Ge3 Ca3 3.6694(9) . ?
Ge3 Ca1 3.2334(8) 2_655 ?
Ge3 O9 1.772(3) . ?
Ge3 O7 1.733(3) . ?
Ge3 O8 1.705(3) . ?
Ge3 O6 1.738(3) . ?
Ca2 Ca1 3.5905(10) 1_465 ?
Ca2 Ca1 3.7207(11) 2_655 ?
Ca2 O1 2.453(3) 1_465 ?
Ca2 O9 2.396(3) 1_455 ?
Ca2 O2 2.507(3) 2 ?
Ca2 O7 2.327(3) . ?
Ca2 O5 2.388(3) 2_566 ?
Ca2 O8 2.345(3) 2_566 ?
Ca3 Ca1 3.6940(10) 1_466 ?
Ca3 Ca1 3.5806(10) 2_666 ?
Ca3 O3 2.391(3) 2_666 ?
Ca3 O1 2.492(3) 2_666 ?
Ca3 O2 2.543(3) 1_566 ?
Ca3 O4 2.332(3) 2_566 ?
Ca3 O5 2.300(3) 1_565 ?
Ca3 O8 2.287(3) . ?
Ca1 O1 2.312(3) . ?
Ca1 O2 2.431(3) 1_655 ?
Ca1 O7 2.500(3) 2_655 ?
Ca1 O7 2.359(3) 1_645 ?
Ca1 O4 2.365(3) 1_655 ?
Ca1 O4 2.481(3) 2_655 ?
Ca1 O6 2.647(4) 2_655 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ca2 Ge1 O3 Ge2 -118.4(2) 1_645 . . . ?
Ca2 Ge1 O3 Ca3 47.78(10) 1_645 . . 2_666 ?
Ca2 Ge1 O1 Ca3 -100.57(11) 1_645 . . 2_666 ?
Ca2 Ge1 O1 Ca1 134.2(5) 1_645 . . . ?
Ca2 Ge1 O2 Ca2 -9.1(2) 1_645 . . 2 ?
Ca2 Ge1 O2 Ca3 -136.44(9) 1_645 . . 1_544 ?
Ca2 Ge1 O2 Ca1 109.58(13) 1_645 . . 1_455 ?
Ca2 Ge2 O3 Ge1 147.45(16) 2_566 . . . ?
Ca2 Ge2 O3 Ca3 -15.0(2) 2_566 . . 2_666 ?
Ca2 Ge2 O4 Ca3 -16.3(2) 2_566 . . 2_566 ?
Ca2 Ge2 O4 Ca1 -153.45(11) 2_566 . . 1_455 ?
Ca2 Ge2 O4 Ca1 91.01(11) 2_566 . . 2_655 ?
Ca2 Ge2 O5 Ca3 -168.0(4) 2_566 . . 1_545 ?
Ca2 Ge2 O6 Ge3 -40.4(4) 2_566 . . . ?
Ca2 Ge2 O6 Ca1 -139.07(10) 2_566 . . 2_655 ?
Ca2 Ge3 O9 Ge1 3.5(3) . . . 1_565 ?
Ca2 Ge3 O9 Ge1 -155.39(16) 2_566 . . 1_565 ?
Ca2 Ge3 O9 Ca2 22.5(2) 2_566 . . 1_655 ?
Ca2 Ge3 O9 Ca2 -178.60(7) . . . 1_655 ?
Ca2 Ge3 O7 Ca2 16.6(2) 2_566 . . . ?
Ca2 Ge3 O7 Ca1 -107.61(17) . . . 2_655 ?
Ca2 Ge3 O7 Ca1 155.58(10) 2_566 . . 1_465 ?
Ca2 Ge3 O7 Ca1 -91.02(11) 2_566 . . 2_655 ?
Ca2 Ge3 O7 Ca1 139.0(3) . . . 1_465 ?
Ca2 Ge3 O8 Ca2 100.77(14) . . . 2_566 ?
Ca2 Ge3 O8 Ca3 -95.7(2) . . . . ?
Ca2 Ge3 O8 Ca3 163.5(4) 2_566 . . . ?
Ca2 Ge3 O6 Ge2 -50.8(4) . . . . ?
Ca2 Ge3 O6 Ge2 40.5(4) 2_566 . . . ?
Ca2 Ge3 O6 Ca1 138.93(10) 2_566 . . 2_655 ?
Ca2 Ge3 O6 Ca1 47.69(9) . . . 2_655 ?
Ca3 Ge1 O3 Ge2 -166.2(3) 2_666 . . . ?
Ca3 Ge1 O1 Ca2 100.57(11) 2_666 . . 1_645 ?
Ca3 Ge1 O1 Ca1 -125.2(5) 2_666 . . . ?
Ca3 Ge1 O2 Ca2 132.77(11) 2_666 . . 2 ?
Ca3 Ge1 O2 Ca3 5.5(2) 2_666 . . 1_544 ?
Ca3 Ge1 O2 Ca1 -108.52(13) 2_666 . . 1_455 ?
Ca3 Ge2 O3 Ge1 -16.9(3) 2_566 . . . ?
Ca3 Ge2 O3 Ca3 -179.32(6) 2_566 . . 2_666 ?
Ca3 Ge2 O4 Ca1 107.30(17) 2_566 . . 2_655 ?
Ca3 Ge2 O4 Ca1 -137.2(3) 2_566 . . 1_455 ?
Ca3 Ge2 O5 Ca2 -98.37(13) 2_566 . . 2_566 ?
Ca3 Ge2 O5 Ca3 93.6(2) 2_566 . . 1_545 ?
Ca3 Ge2 O6 Ge3 50.2(4) 2_566 . . . ?
Ca3 Ge2 O6 Ca1 -48.40(9) 2_566 . . 2_655 ?
Ca3 Ge3 O9 Ge1 -93.7(2) . . . 1_565 ?
Ca3 Ge3 O9 Ca2 84.20(16) . . . 1_655 ?
Ca3 Ge3 O7 Ca2 -56.76(16) . . . . ?
Ca3 Ge3 O7 Ca1 -164.37(5) . . . 2_655 ?
Ca3 Ge3 O7 Ca1 82.22(18) . . . 1_465 ?
Ca3 Ge3 O8 Ca2 -163.5(4) . . . 2_566 ?
Ca3 Ge3 O6 Ge2 55.0(5) . . . . ?
Ca3 Ge3 O6 Ca1 153.44(6) . . . 2_655 ?
Ca1 Ge1 O3 Ge2 20.6(2) 1_455 . . . ?
Ca1 Ge1 O3 Ca3 -173.26(8) 1_455 . . 2_666 ?
Ca1 Ge1 O1 Ca2 -126.5(3) 1_455 . . 1_645 ?
Ca1 Ge1 O1 Ca3 132.9(3) 1_455 . . 2_666 ?
Ca1 Ge1 O1 Ca1 7.7(8) 1_455 . . . ?
Ca1 Ge1 O2 Ca2 -118.7(2) 1_455 . . 2 ?
Ca1 Ge1 O2 Ca3 114.0(2) 1_455 . . 1_544 ?
Ca1 Ge2 O3 Ge1 -83.0(2) 2_655 . . . ?
Ca1 Ge2 O3 Ca3 114.54(16) 2_655 . . 2_666 ?
Ca1 Ge2 O4 Ca3 -107.30(17) 2_655 . . 2_566 ?
Ca1 Ge2 O4 Ca1 115.5(2) 2_655 . . 1_455 ?
Ca1 Ge2 O5 Ca2 -53.4(2) 2_655 . . 2_566 ?
Ca1 Ge2 O5 Ca3 138.59(15) 2_655 . . 1_545 ?
Ca1 Ge2 O6 Ge3 98.6(4) 2_655 . . . ?
Ca1 Ge3 O9 Ge1 73.6(2) 2_655 . . 1_565 ?
Ca1 Ge3 O9 Ca2 -108.48(16) 2_655 . . 1_655 ?
Ca1 Ge3 O7 Ca2 107.61(17) 2_655 . . . ?
Ca1 Ge3 O7 Ca1 -113.4(2) 2_655 . . 1_465 ?
Ca1 Ge3 O8 Ca2 54.4(3) 2_655 . . 2_566 ?
Ca1 Ge3 O8 Ca3 -142.09(13) 2_655 . . . ?
Ca1 Ge3 O6 Ge2 -98.4(4) 2_655 . . . ?
O3 Ge1 O1 Ca2 103.93(12) . . . 1_645 ?
O3 Ge1 O1 Ca3 3.36(13) . . . 2_666 ?
O3 Ge1 O1 Ca1 -121.9(4) . . . . ?
O3 Ge1 O2 Ca2 -176.94(14) . . . 2 ?
O3 Ge1 O2 Ca3 55.76(18) . . . 1_544 ?
O3 Ge1 O2 Ca1 -58.23(16) . . . 1_455 ?
O3 Ge2 O4 Ca3 163.20(14) . . . 2_566 ?
O3 Ge2 O4 Ca1 -89.50(13) . . . 2_655 ?
O3 Ge2 O4 Ca1 26.0(2) . . . 1_455 ?
O3 Ge2 O5 Ca2 113.82(15) . . . 2_566 ?
O3 Ge2 O5 Ca3 -54.2(3) . . . 1_545 ?
O3 Ge2 O6 Ge3 -162.7(4) . . . . ?
O3 Ge2 O6 Ca1 98.71(12) . . . 2_655 ?
O1 Ge1 O3 Ge2 -169.7(2) . . . . ?
O1 Ge1 O3 Ca3 -3.52(14) . . . 2_666 ?
O1 Ge1 O2 Ca2 60.6(2) . . . 2 ?
O1 Ge1 O2 Ca3 -66.69(19) . . . 1_544 ?
O1 Ge1 O2 Ca1 179.33(12) . . . 1_455 ?
O9 Ge1 O3 Ge2 -68.1(2) 1_545 . . . ?
O9 Ge1 O3 Ca3 98.06(12) 1_545 . . 2_666 ?
O9 Ge1 O1 Ca2 -0.46(13) 1_545 . . 1_645 ?
O9 Ge1 O1 Ca3 -101.03(11) 1_545 . . 2_666 ?
O9 Ge1 O1 Ca1 133.7(4) 1_545 . . . ?
O9 Ge1 O2 Ca2 -61.58(18) 1_545 . . 2 ?
O9 Ge1 O2 Ca3 171.12(14) 1_545 . . 1_544 ?
O9 Ge1 O2 Ca1 57.13(16) 1_545 . . 1_455 ?
O9 Ge3 O7 Ca2 -160.02(14) . . . . ?
O9 Ge3 O7 Ca1 92.36(13) . . . 2_655 ?
O9 Ge3 O7 Ca1 -21.0(2) . . . 1_465 ?
O9 Ge3 O8 Ca2 -112.89(16) . . . 2_566 ?
O9 Ge3 O8 Ca3 50.6(3) . . . . ?
O9 Ge3 O6 Ge2 160.7(4) . . . . ?
O9 Ge3 O6 Ca1 -100.89(12) . . . 2_655 ?
O2 Ge1 O3 Ge2 53.4(3) . . . . ?
O2 Ge1 O3 Ca3 -140.38(11) . . . 2_666 ?
O2 Ge1 O1 Ca2 -128.37(13) . . . 1_645 ?
O2 Ge1 O1 Ca3 131.06(12) . . . 2_666 ?
O2 Ge1 O1 Ca1 5.8(5) . . . . ?
O7 Ge3 O9 Ge1 21.5(3) . . . 1_565 ?
O7 Ge3 O9 Ca2 -160.61(17) . . . 1_655 ?
O7 Ge3 O8 Ca2 116.11(16) . . . 2_566 ?
O7 Ge3 O8 Ca3 -80.4(3) . . . . ?
O7 Ge3 O6 Ge2 -86.3(4) . . . . ?
O7 Ge3 O6 Ca1 12.15(13) . . . 2_655 ?
O4 Ge2 O3 Ge1 -32.1(3) . . . . ?
O4 Ge2 O3 Ca3 165.51(16) . . . 2_666 ?
O4 Ge2 O5 Ca2 -114.59(16) . . . 2_566 ?
O4 Ge2 O5 Ca3 77.4(3) . . . 1_545 ?
O4 Ge2 O6 Ge3 85.6(4) . . . . ?
O4 Ge2 O6 Ca1 -13.01(13) . . . 2_655 ?
O5 Ge2 O3 Ge1 104.7(2) . . . . ?
O5 Ge2 O3 Ca3 -57.7(2) . . . 2_666 ?
O5 Ge2 O4 Ca3 29.5(2) . . . 2_566 ?
O5 Ge2 O4 Ca1 136.85(12) . . . 2_655 ?
O5 Ge2 O4 Ca1 -107.6(2) . . . 1_455 ?
O5 Ge2 O6 Ge3 -43.5(5) . . . . ?
O5 Ge2 O6 Ca1 -142.12(13) . . . 2_655 ?
O8 Ge3 O9 Ge1 -114.3(2) . . . 1_565 ?
O8 Ge3 O9 Ca2 63.5(2) . . . 1_655 ?
O8 Ge3 O7 Ca2 -27.8(2) . . . . ?
O8 Ge3 O7 Ca1 111.16(19) . . . 1_465 ?
O8 Ge3 O7 Ca1 -135.43(12) . . . 2_655 ?
O8 Ge3 O6 Ge2 42.5(5) . . . . ?
O8 Ge3 O6 Ca1 140.98(13) . . . 2_655 ?
O6 Ge2 O3 Ge1 -138.9(2) . . . . ?
O6 Ge2 O3 Ca3 58.6(2) . . . 2_666 ?
O6 Ge2 O4 Ca3 -93.25(17) . . . 2_566 ?
O6 Ge2 O4 Ca1 14.05(14) . . . 2_655 ?
O6 Ge2 O4 Ca1 129.58(18) . . . 1_455 ?
O6 Ge2 O5 Ca2 4.7(2) . . . 2_566 ?
O6 Ge2 O5 Ca3 -163.4(2) . . . 1_545 ?
O6 Ge3 O9 Ge1 129.6(2) . . . 1_565 ?
O6 Ge3 O9 Ca2 -52.5(2) . . . 1_655 ?
O6 Ge3 O7 Ca2 94.62(17) . . . . ?
O6 Ge3 O7 Ca1 -13.00(14) . . . 2_655 ?
O6 Ge3 O7 Ca1 -126.40(18) . . . 1_465 ?
O6 Ge3 O8 Ca2 -3.2(2) . . . 2_566 ?
O6 Ge3 O8 Ca3 160.3(2) . . . . ?
