#------------------------------------------------------------------------------
#$Date: 2021-05-04 03:49:28 +0300 (Tue, 04 May 2021) $
#$Revision: 264820 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/39/4003900.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_4003900
loop_
_publ_author_name
'Smart, Megan M.'
'Smith Pellizzeri, Tiffany M.'
'Morrison, Gregory'
'McMillen, Colin D.'
'zur Loye, Hans-Conrad'
'Kolis, Joseph W.'
_publ_section_title
;
 Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22
 and K2Co4V9O22 Hexaferrites
;
_journal_issue                   7
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2258
_journal_page_last               2266
_journal_paper_doi               10.1021/acs.chemmater.0c03852
_journal_volume                  33
_journal_year                    2021
_chemical_formula_sum            'Ba2 Fe11 Ge2 O22'
_chemical_formula_weight         1386.21
_space_group_crystal_system      trigonal
_space_group_IT_number           164
_space_group_name_Hall           '-P 3 2"'
_space_group_name_H-M_alt        'P -3 m 1'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.8532(3)
_cell_length_b                   5.8532(3)
_cell_length_c                   14.2601(7)
_cell_measurement_reflns_used    8311
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.86
_cell_volume                     423.10(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'DIAMOND (Bradenburg, 1999)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick 2014)'
_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Photon 100'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8960
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.534
_diffrn_reflns_theta_min         2.857
_diffrn_source                   Ius
_exptl_absorpt_coefficient_mu    17.293
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.5621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.440
_exptl_crystal_description       plate
_exptl_crystal_F_000             638
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.928
_refine_diff_density_min         -2.477
_refine_diff_density_rms         0.338
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     46
_refine_ls_number_reflns         558
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0497P)²+2.8381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0818
_refine_ls_wR_factor_ref         0.0819
_reflns_Friedel_coverage         0.000
_reflns_number_gt                548
_reflns_number_total             558
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cm0c03852_si_002.cif
_cod_data_source_block           BaFeGe
_cod_depositor_comments
'Adding full bibliography for 4003899--4003900.cif.'
_cod_original_cell_volume        423.10(5)
_cod_database_code               4003900
_shelx_shelxl_version_number     2014/7
_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_min   0.168
_shelx_estimated_absorpt_t_max   0.478
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, 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
Ba1 Ba -1.3333 -0.6667 0.57451(6) 0.0095(2) Uani 1 6 d S T P . .
Fe1 Fe -1.3333 -0.6667 0.31544(12) 0.0044(3) Uani 1 6 d S T P . .
Fe2 Fe -0.82635(12) 0.3473(2) 0.17542(7) 0.0048(2) Uani 1 2 d S T P . .
Fe3 Fe -1.0000 0.0000 0.0000 0.0010(4) Uani 1 12 d S T P . .
Fe4 Fe -1.3333 -0.6667 0.04678(12) 0.0035(3) Uani 1 6 d S T P . .
Ge5 Ge -1.0000 0.0000 0.37512(8) 0.0032(3) Uani 1 6 d S T P . .
O1 O -1.3333 -0.6667 -0.0882(6) 0.0058(16) Uani 1 6 d S T P . .
O2 O -1.0000 0.0000 0.2469(6) 0.0029(14) Uani 1 6 d S T P . .
O3 O -1.1545(5) -0.3089(10) 0.0858(3) 0.0064(9) Uani 1 2 d S T P . .
O4 O -1.5015(6) -0.4985(6) 0.2469(3) 0.0064(10) Uani 1 2 d S T P . .
O5 O -1.1662(5) -0.3323(11) 0.4071(3) 0.0043(8) Uani 1 2 d S T P . .
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'
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'
Ba Ba -0.3244 2.2819 '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
O5 Ba1 O5 60.17(17) 3_335 2_355 ?
O5 Ba1 O5 60.17(17) 3_335 . ?
O5 Ba1 O5 60.17(17) 2_355 . ?
O5 Ba1 O5 64.73(16) 3_335 7_346 ?
O5 Ba1 O5 124.87(6) 2_355 7_346 ?
O5 Ba1 O5 94.24(10) . 7_346 ?
O5 Ba1 O5 64.73(16) 3_335 8_436 ?
O5 Ba1 O5 94.24(10) 2_355 8_436 ?
O5 Ba1 O5 124.87(6) . 8_436 ?
O5 Ba1 O5 59.5(2) 7_346 8_436 ?
O5 Ba1 O5 94.24(10) 3_335 9_566 ?
O5 Ba1 O5 124.87(6) 2_355 9_566 ?
O5 Ba1 O5 64.73(16) . 9_566 ?
O5 Ba1 O5 59.9(2) 7_346 9_566 ?
O5 Ba1 O5 119.21(3) 8_436 9_566 ?
O5 Ba1 O5 94.24(10) 3_335 9_456 ?
O5 Ba1 O5 64.73(16) 2_355 9_456 ?
O5 Ba1 O5 124.87(6) . 9_456 ?
O5 Ba1 O5 119.21(3) 7_346 9_456 ?
O5 Ba1 O5 59.9(2) 8_436 9_456 ?
O5 Ba1 O5 169.74(18) 9_566 9_456 ?
O5 Ba1 O5 124.87(6) 3_335 8_446 ?
O5 Ba1 O5 94.24(10) 2_355 8_446 ?
O5 Ba1 O5 64.73(16) . 8_446 ?
O5 Ba1 O5 119.21(3) 7_346 8_446 ?
O5 Ba1 O5 169.74(18) 8_436 8_446 ?
O5 Ba1 O5 59.5(2) 9_566 8_446 ?
O5 Ba1 O5 119.21(3) 9_456 8_446 ?
O5 Ba1 O5 124.87(6) 3_335 7_246 ?
O5 Ba1 O5 64.73(16) 2_355 7_246 ?
O5 Ba1 O5 94.24(10) . 7_246 ?
O5 Ba1 O5 169.74(18) 7_346 7_246 ?
O5 Ba1 O5 119.21(3) 8_436 7_246 ?
O5 Ba1 O5 119.21(3) 9_566 7_246 ?
O5 Ba1 O5 59.5(2) 9_456 7_246 ?
O5 Ba1 O5 59.9(2) 8_446 7_246 ?
O5 Ba1 O4 121.49(11) 3_335 9_566 ?
O5 Ba1 O4 177.96(18) 2_355 9_566 ?
O5 Ba1 O4 121.49(11) . 9_566 ?
O5 Ba1 O4 56.76(14) 7_346 9_566 ?
O5 Ba1 O4 85.66(10) 8_436 9_566 ?
O5 Ba1 O4 56.76(14) 9_566 9_566 ?
O5 Ba1 O4 113.56(13) 9_456 9_566 ?
O5 Ba1 O4 85.66(10) 8_446 9_566 ?
O5 Ba1 O4 113.56(12) 7_246 9_566 ?
O5 Ba1 O4 121.49(11) 3_335 8_436 ?
O5 Ba1 O4 121.49(11) 2_355 8_436 ?
O5 Ba1 O4 177.96(18) . 8_436 ?
O5 Ba1 O4 85.66(10) 7_346 8_436 ?
O5 Ba1 O4 56.76(14) 8_436 8_436 ?
O5 Ba1 O4 113.56(12) 9_566 8_436 ?
O5 Ba1 O4 56.76(14) 9_456 8_436 ?
O5 Ba1 O4 113.56(12) 8_446 8_436 ?
O5 Ba1 O4 85.66(10) 7_246 8_436 ?
O4 Ba1 O4 56.82(19) 9_566 8_436 ?
O5 Ba1 O4 177.96(17) 3_335 7_246 ?
O5 Ba1 O4 121.49(11) 2_355 7_246 ?
O5 Ba1 O4 121.49(11) . 7_246 ?
O5 Ba1 O4 113.56(12) 7_346 7_246 ?
O5 Ba1 O4 113.56(13) 8_436 7_246 ?
O5 Ba1 O4 85.66(10) 9_566 7_246 ?
O5 Ba1 O4 85.66(10) 9_456 7_246 ?
O5 Ba1 O4 56.76(14) 8_446 7_246 ?
O5 Ba1 O4 56.76(14) 7_246 7_246 ?
O4 Ba1 O4 56.82(19) 9_566 7_246 ?
O4 Ba1 O4 56.82(19) 8_436 7_246 ?
O4 Fe1 O4 97.4(2) 2_355 3_335 ?
O4 Fe1 O4 97.4(2) 2_355 . ?
O4 Fe1 O4 97.4(2) 3_335 . ?
O4 Fe1 O5 87.72(15) 2_355 3_335 ?
O4 Fe1 O5 87.72(15) 3_335 3_335 ?
O4 Fe1 O5 172.2(2) . 3_335 ?
O4 Fe1 O5 172.2(2) 2_355 . ?
O4 Fe1 O5 87.72(15) 3_335 . ?
O4 Fe1 O5 87.72(15) . . ?
O5 Fe1 O5 86.6(2) 3_335 . ?
O4 Fe1 O5 87.72(15) 2_355 2_355 ?
O4 Fe1 O5 172.2(2) 3_335 2_355 ?
O4 Fe1 O5 87.72(15) . 2_355 ?
O5 Fe1 O5 86.6(2) 3_335 2_355 ?
O5 Fe1 O5 86.6(2) . 2_355 ?
O4 Fe1 Ba1 119.83(16) 2_355 . ?
O4 Fe1 Ba1 119.83(16) 3_335 . ?
O4 Fe1 Ba1 119.83(16) . . ?
O5 Fe1 Ba1 52.37(14) 3_335 . ?
O5 Fe1 Ba1 52.37(14) . . ?
O5 Fe1 Ba1 52.37(14) 2_355 . ?
O4 Fe1 Ba1 127.08(3) 2_355 7_246 ?
O4 Fe1 Ba1 127.08(3) 3_335 7_246 ?
O4 Fe1 Ba1 54.74(15) . 7_246 ?
O5 Fe1 Ba1 117.46(15) 3_335 7_246 ?
O5 Fe1 Ba1 51.953(19) . 7_246 ?
O5 Fe1 Ba1 51.953(19) 2_355 7_246 ?
Ba1 Fe1 Ba1 65.09(3) . 7_246 ?
O4 Fe1 Ba1 127.08(3) 2_355 7_346 ?
O4 Fe1 Ba1 54.74(15) 3_335 7_346 ?
O4 Fe1 Ba1 127.08(3) . 7_346 ?
O5 Fe1 Ba1 51.952(19) 3_335 7_346 ?
O5 Fe1 Ba1 51.953(19) . 7_346 ?
O5 Fe1 Ba1 117.46(15) 2_355 7_346 ?
Ba1 Fe1 Ba1 65.09(3) . 7_346 ?
Ba1 Fe1 Ba1 103.53(3) 7_246 7_346 ?
O4 Fe1 Ba1 54.74(16) 2_355 7_236 ?
O4 Fe1 Ba1 127.08(3) 3_335 7_236 ?
O4 Fe1 Ba1 127.08(3) . 7_236 ?
O5 Fe1 Ba1 51.953(19) 3_335 7_236 ?
O5 Fe1 Ba1 117.46(15) . 7_236 ?
O5 Fe1 Ba1 51.953(19) 2_355 7_236 ?
Ba1 Fe1 Ba1 65.09(3) . 7_236 ?
Ba1 Fe1 Ba1 103.53(3) 7_246 7_236 ?
Ba1 Fe1 Ba1 103.53(3) 7_346 7_236 ?
O4 Fe2 O4 96.9(4) 1_665 3_345 ?
O4 Fe2 O2 94.91(17) 1_665 . ?
O4 Fe2 O2 94.91(17) 3_345 . ?
O4 Fe2 O1 90.03(19) 1_665 7_355 ?
O4 Fe2 O1 90.03(18) 3_345 7_355 ?
O2 Fe2 O1 172.5(3) . 7_355 ?
O4 Fe2 O3 171.6(2) 1_665 3_345 ?
O4 Fe2 O3 91.4(2) 3_345 3_345 ?
O2 Fe2 O3 84.39(19) . 3_345 ?
O1 Fe2 O3 89.91(19) 7_355 3_345 ?
O4 Fe2 O3 91.4(2) 1_665 2_465 ?
O4 Fe2 O3 171.6(2) 3_345 2_465 ?
O2 Fe2 O3 84.39(19) . 2_465 ?
O1 Fe2 O3 89.90(19) 7_355 2_465 ?
O3 Fe2 O3 80.2(3) 3_345 2_465 ?
O4 Fe2 Fe2 43.64(13) 1_665 2_575 ?
O4 Fe2 Fe2 91.43(17) 3_345 2_575 ?
O2 Fe2 Fe2 138.55(13) . 2_575 ?
O1 Fe2 Fe2 46.62(15) 7_355 2_575 ?
O3 Fe2 Fe2 136.42(11) 3_345 2_575 ?
O3 Fe2 Fe2 94.59(13) 2_465 2_575 ?
O4 Fe2 Fe2 91.43(16) 1_665 3_355 ?
O4 Fe2 Fe2 43.64(13) 3_345 3_355 ?
O2 Fe2 Fe2 138.55(13) . 3_355 ?
O1 Fe2 Fe2 46.62(15) 7_355 3_355 ?
O3 Fe2 Fe2 94.60(13) 3_345 3_355 ?
O3 Fe2 Fe2 136.42(11) 2_465 3_355 ?
Fe2 Fe2 Fe2 60.0 2_575 3_355 ?
O3 Fe3 O3 180.0(2) 8_445 2_465 ?
O3 Fe3 O3 86.1(2) 8_445 9_565 ?
O3 Fe3 O3 93.9(2) 2_465 9_565 ?
O3 Fe3 O3 93.9(2) 8_445 3_345 ?
O3 Fe3 O3 86.1(2) 2_465 3_345 ?
O3 Fe3 O3 180.0(3) 9_565 3_345 ?
O3 Fe3 O3 86.1(2) 8_445 7_355 ?
O3 Fe3 O3 93.9(2) 2_465 7_355 ?
O3 Fe3 O3 86.1(2) 9_565 7_355 ?
O3 Fe3 O3 93.9(2) 3_345 7_355 ?
O3 Fe3 O3 93.9(2) 8_445 . ?
O3 Fe3 O3 86.1(2) 2_465 . ?
O3 Fe3 O3 93.9(2) 9_565 . ?
O3 Fe3 O3 86.1(2) 3_345 . ?
O3 Fe3 O3 180.0 7_355 . ?
O3 Fe4 O3 111.78(14) . 3_335 ?
O3 Fe4 O3 111.78(14) . 2_355 ?
O3 Fe4 O3 111.78(14) 3_335 2_355 ?
O3 Fe4 O1 107.05(16) . . ?
O3 Fe4 O1 107.05(16) 3_335 . ?
O3 Fe4 O1 107.05(16) 2_355 . ?
O5 Ge5 O5 113.44(12) . 2_465 ?
O5 Ge5 O5 113.44(12) . 3_345 ?
O5 Ge5 O5 113.44(12) 2_465 3_345 ?
O5 Ge5 O2 105.13(15) . . ?
O5 Ge5 O2 105.14(15) 2_465 . ?
O5 Ge5 O2 105.13(15) 3_345 . ?
O5 Ge5 Ba1 152.87(16) . 7_356 ?
O5 Ge5 Ba1 58.237(14) 2_465 7_356 ?
O5 Ge5 Ba1 58.238(14) 3_345 7_356 ?
O2 Ge5 Ba1 102.00(2) . 7_356 ?
O5 Ge5 Ba1 58.237(14) . 7_246 ?
O5 Ge5 Ba1 152.86(16) 2_465 7_246 ?
O5 Ge5 Ba1 58.238(15) 3_345 7_246 ?
O2 Ge5 Ba1 102.00(2) . 7_246 ?
Ba1 Ge5 Ba1 115.796(15) 7_356 7_246 ?
O5 Ge5 Ba1 58.238(14) . 7_346 ?
O5 Ge5 Ba1 58.238(14) 2_465 7_346 ?
O5 Ge5 Ba1 152.86(16) 3_345 7_346 ?
O2 Ge5 Ba1 102.00(2) . 7_346 ?
Ba1 Ge5 Ba1 115.795(15) 7_356 7_346 ?
Ba1 Ge5 Ba1 115.795(15) 7_246 7_346 ?
Fe4 O1 Fe2 127.5(2) . 9 ?
Fe4 O1 Fe2 127.5(2) . 8_335 ?
Fe2 O1 Fe2 86.8(3) 9 8_335 ?
Fe4 O1 Fe2 127.5(2) . 7_355 ?
Fe2 O1 Fe2 86.8(3) 9 7_355 ?
Fe2 O1 Fe2 86.8(3) 8_335 7_355 ?
Ge5 O2 Fe2 120.1(2) . . ?
Ge5 O2 Fe2 120.1(2) . 2_465 ?
Fe2 O2 Fe2 97.1(3) . 2_465 ?
Ge5 O2 Fe2 120.1(2) . 3_345 ?
Fe2 O2 Fe2 97.1(3) . 3_345 ?
Fe2 O2 Fe2 97.1(3) 2_465 3_345 ?
Fe4 O3 Fe3 125.0(3) . . ?
Fe4 O3 Fe2 119.31(18) . 3_345 ?
Fe3 O3 Fe2 96.73(18) . 3_345 ?
Fe4 O3 Fe2 119.31(18) . 2_465 ?
Fe3 O3 Fe2 96.73(18) . 2_465 ?
Fe2 O3 Fe2 92.9(2) 3_345 2_465 ?
Fe2 O4 Fe2 92.7(3) 1_445 2_465 ?
Fe2 O4 Fe1 130.48(18) 1_445 . ?
Fe2 O4 Fe1 130.48(18) 2_465 . ?
Fe2 O4 Ba1 101.2(2) 1_445 7_246 ?
Fe2 O4 Ba1 101.2(2) 2_465 7_246 ?
Fe1 O4 Ba1 93.49(18) . 7_246 ?
Ge5 O5 Fe1 127.2(2) . . ?
Ge5 O5 Ba1 140.5(2) . . ?
Fe1 O5 Ba1 92.26(19) . . ?
Ge5 O5 Ba1 91.44(11) . 7_246 ?
Fe1 O5 Ba1 93.05(10) . 7_246 ?
Ba1 O5 Ba1 85.76(10) . 7_246 ?
Ge5 O5 Ba1 91.44(11) . 7_346 ?
Fe1 O5 Ba1 93.05(10) . 7_346 ?
Ba1 O5 Ba1 85.76(10) . 7_346 ?
Ba1 O5 Ba1 169.74(18) 7_246 7_346 ?
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
Ba1 O5 2.928(5) 3_335 ?
Ba1 O5 2.928(5) 2_355 ?
Ba1 O5 2.928(5) . ?
Ba1 O5 2.9384(4) 7_346 ?
Ba1 O5 2.9384(4) 8_436 ?
Ba1 O5 2.9384(5) 9_566 ?
Ba1 O5 2.9384(4) 9_456 ?
Ba1 O5 2.9384(4) 8_446 ?
Ba1 O5 2.9384(4) 7_246 ?
Ba1 O4 3.048(5) 9_566 ?
Ba1 O4 3.048(5) 8_436 ?
Ba1 O4 3.048(5) 7_246 ?
Fe1 O4 1.965(6) 2_355 ?
Fe1 O4 1.965(6) 3_335 ?
Fe1 O4 1.965(6) . ?
Fe1 O5 2.140(5) 3_335 ?
Fe1 O5 2.140(5) . ?
Fe1 O5 2.140(5) 2_355 ?
Fe1 Ba1 3.7259(9) 7_246 ?
Fe1 Ba1 3.7260(9) 7_346 ?
Fe1 Ba1 3.7260(9) 7_236 ?
Fe2 O4 1.937(4) 1_665 ?
Fe2 O4 1.937(4) 3_345 ?
Fe2 O2 2.034(4) . ?
Fe2 O1 2.041(6) 7_355 ?
Fe2 O3 2.104(4) 3_345 ?
Fe2 O3 2.104(4) 2_465 ?
Fe2 Fe2 2.804(2) 2_575 ?
Fe2 Fe2 2.804(2) 3_355 ?
Fe3 O3 1.987(5) 8_445 ?
Fe3 O3 1.987(5) 2_465 ?
Fe3 O3 1.987(5) 9_565 ?
Fe3 O3 1.987(5) 3_345 ?
Fe3 O3 1.987(5) 7_355 ?
Fe3 O3 1.987(5) . ?
Fe4 O3 1.897(5) . ?
Fe4 O3 1.897(5) 3_335 ?
Fe4 O3 1.897(5) 2_355 ?
Fe4 O1 1.925(10) . ?
Ge5 O5 1.745(6) . ?
Ge5 O5 1.745(6) 2_465 ?
Ge5 O5 1.745(5) 3_345 ?
Ge5 O2 1.829(8) . ?
Ge5 Ba1 3.4548(3) 7_356 ?
Ge5 Ba1 3.4548(3) 7_246 ?
Ge5 Ba1 3.4549(3) 7_346 ?
O1 Fe2 2.041(6) 9 ?
O1 Fe2 2.041(6) 8_335 ?
O1 Fe2 2.041(6) 7_355 ?
O2 Fe2 2.034(4) 2_465 ?
O2 Fe2 2.034(4) 3_345 ?
O3 Fe2 2.104(4) 3_345 ?
O3 Fe2 2.104(4) 2_465 ?
O4 Fe2 1.937(4) 1_445 ?
O4 Fe2 1.937(4) 2_465 ?
O4 Ba1 3.048(5) 7_246 ?
O5 Ba1 2.9383(4) 7_246 ?
O5 Ba1 2.9384(4) 7_346 ?
