data_oxybismutomicrolite

_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety          
 '0.25(Bi3.2 Ca1.48 F1.56 Na2.72 Nb0.84 O26.16 Sn0.28 Ta5.68 Ti1.2)'
_chemical_formula_sum             
 'Bi0.80 Ca0.37 F0.39 Na0.68 Nb0.21 O6.54 Sn0.07 Ta1.42 Ti0.30'
_chemical_formula_weight           608.79
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'Bi' 'Bi' -4.1077 10.2566
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ca' 'Ca' 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Na' 'Na' 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Nb' 'Nb' -2.0727 0.6215
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sn' 'Sn' -0.6537 1.4246
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ta' 'Ta' -0.7052 6.5227
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ti' 'Ti' 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system        'cubic'
_space_group_IT_number             227
_space_group_name_H-M_alt          'F d -3 m'
_space_group_name_Hall             '-F 4vw 2vw 3'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-z, y+3/4, x+3/4'
 'z+3/4, -y, x+3/4'
 'z+3/4, y+3/4, -x'
 '-z, -y, -x'
 'y+3/4, x+3/4, -z'
 '-y, x+3/4, z+3/4'
 'y+3/4, -x, z+3/4'
 '-y, -x, -z'
 'x+3/4, -z, y+3/4'
 'x+3/4, z+3/4, -y'
 '-x, z+3/4, y+3/4'
 '-x, -z, -y'
 'z, -x+1/4, -y+1/4'
 '-z+1/4, -x+1/4, y'
 '-z+1/4, x, -y+1/4'
 'z, x, y'
 '-y+1/4, z, -x+1/4'
 'y, -z+1/4, -x+1/4'
 '-y+1/4, -z+1/4, x'
 'y, z, x'
 '-x+1/4, -y+1/4, z'
 '-x+1/4, y, -z+1/4'
 'x, -y+1/4, -z+1/4'
 'x, y+1/2, z+1/2'
 '-z, y+5/4, x+5/4'
 'z+3/4, -y+1/2, x+5/4'
 'z+3/4, y+5/4, -x+1/2'
 '-z, -y+1/2, -x+1/2'
 'y+3/4, x+5/4, -z+1/2'
 '-y, x+5/4, z+5/4'
 'y+3/4, -x+1/2, z+5/4'
 '-y, -x+1/2, -z+1/2'
 'x+3/4, -z+1/2, y+5/4'
 'x+3/4, z+5/4, -y+1/2'
 '-x, z+5/4, y+5/4'
 '-x, -z+1/2, -y+1/2'
 'z, -x+3/4, -y+3/4'
 '-z+1/4, -x+3/4, y+1/2'
 '-z+1/4, x+1/2, -y+3/4'
 'z, x+1/2, y+1/2'
 '-y+1/4, z+1/2, -x+3/4'
 'y, -z+3/4, -x+3/4'
 '-y+1/4, -z+3/4, x+1/2'
 'y, z+1/2, x+1/2'
 '-x+1/4, -y+3/4, z+1/2'
 '-x+1/4, y+1/2, -z+3/4'
 'x, -y+3/4, -z+3/4'
 'x+1/2, y, z+1/2'
 '-z+1/2, y+3/4, x+5/4'
 'z+5/4, -y, x+5/4'
 'z+5/4, y+3/4, -x+1/2'
 '-z+1/2, -y, -x+1/2'
 'y+5/4, x+3/4, -z+1/2'
 '-y+1/2, x+3/4, z+5/4'
 'y+5/4, -x, z+5/4'
 '-y+1/2, -x, -z+1/2'
 'x+5/4, -z, y+5/4'
 'x+5/4, z+3/4, -y+1/2'
 '-x+1/2, z+3/4, y+5/4'
 '-x+1/2, -z, -y+1/2'
 'z+1/2, -x+1/4, -y+3/4'
 '-z+3/4, -x+1/4, y+1/2'
 '-z+3/4, x, -y+3/4'
 'z+1/2, x, y+1/2'
 '-y+3/4, z, -x+3/4'
 'y+1/2, -z+1/4, -x+3/4'
 '-y+3/4, -z+1/4, x+1/2'
 'y+1/2, z, x+1/2'
 '-x+3/4, -y+1/4, z+1/2'
 '-x+3/4, y, -z+3/4'
 'x+1/2, -y+1/4, -z+3/4'
 'x+1/2, y+1/2, z'
 '-z+1/2, y+5/4, x+3/4'
 'z+5/4, -y+1/2, x+3/4'
 'z+5/4, y+5/4, -x'
 '-z+1/2, -y+1/2, -x'
 'y+5/4, x+5/4, -z'
 '-y+1/2, x+5/4, z+3/4'
 'y+5/4, -x+1/2, z+3/4'
 '-y+1/2, -x+1/2, -z'
 'x+5/4, -z+1/2, y+3/4'
 'x+5/4, z+5/4, -y'
 '-x+1/2, z+5/4, y+3/4'
 '-x+1/2, -z+1/2, -y'
 'z+1/2, -x+3/4, -y+1/4'
 '-z+3/4, -x+3/4, y'
 '-z+3/4, x+1/2, -y+1/4'
 'z+1/2, x+1/2, y'
 '-y+3/4, z+1/2, -x+1/4'
 'y+1/2, -z+3/4, -x+1/4'
 '-y+3/4, -z+3/4, x'
 'y+1/2, z+1/2, x'
 '-x+3/4, -y+3/4, z'
 '-x+3/4, y+1/2, -z+1/4'
 'x+1/2, -y+3/4, -z+1/4'
 '-x, -y, -z'
 'z, -y-3/4, -x-3/4'
 '-z-3/4, y, -x-3/4'
 '-z-3/4, -y-3/4, x'
 'z, y, x'
 '-y-3/4, -x-3/4, z'
 'y, -x-3/4, -z-3/4'
 '-y-3/4, x, -z-3/4'
 'y, x, z'
 '-x-3/4, z, -y-3/4'
 '-x-3/4, -z-3/4, y'
 'x, -z-3/4, -y-3/4'
 'x, z, y'
 '-z, x-1/4, y-1/4'
 'z-1/4, x-1/4, -y'
 'z-1/4, -x, y-1/4'
 '-z, -x, -y'
 'y-1/4, -z, x-1/4'
 '-y, z-1/4, x-1/4'
 'y-1/4, z-1/4, -x'
 '-y, -z, -x'
 'x-1/4, y-1/4, -z'
 'x-1/4, -y, z-1/4'
 '-x, y-1/4, z-1/4'
 '-x, -y+1/2, -z+1/2'
 'z, -y-1/4, -x-1/4'
 '-z-3/4, y+1/2, -x-1/4'
 '-z-3/4, -y-1/4, x+1/2'
 'z, y+1/2, x+1/2'
 '-y-3/4, -x-1/4, z+1/2'
 'y, -x-1/4, -z-1/4'
 '-y-3/4, x+1/2, -z-1/4'
 'y, x+1/2, z+1/2'
 '-x-3/4, z+1/2, -y-1/4'
 '-x-3/4, -z-1/4, y+1/2'
 'x, -z-1/4, -y-1/4'
 'x, z+1/2, y+1/2'
 '-z, x+1/4, y+1/4'
 'z-1/4, x+1/4, -y+1/2'
 'z-1/4, -x+1/2, y+1/4'
 '-z, -x+1/2, -y+1/2'
 'y-1/4, -z+1/2, x+1/4'
 '-y, z+1/4, x+1/4'
 'y-1/4, z+1/4, -x+1/2'
 '-y, -z+1/2, -x+1/2'
 'x-1/4, y+1/4, -z+1/2'
 'x-1/4, -y+1/2, z+1/4'
 '-x, y+1/4, z+1/4'
 '-x+1/2, -y, -z+1/2'
 'z+1/2, -y-3/4, -x-1/4'
 '-z-1/4, y, -x-1/4'
 '-z-1/4, -y-3/4, x+1/2'
 'z+1/2, y, x+1/2'
 '-y-1/4, -x-3/4, z+1/2'
 'y+1/2, -x-3/4, -z-1/4'
 '-y-1/4, x, -z-1/4'
 'y+1/2, x, z+1/2'
 '-x-1/4, z, -y-1/4'
 '-x-1/4, -z-3/4, y+1/2'
 'x+1/2, -z-3/4, -y-1/4'
 'x+1/2, z, y+1/2'
 '-z+1/2, x-1/4, y+1/4'
 'z+1/4, x-1/4, -y+1/2'
 'z+1/4, -x, y+1/4'
 '-z+1/2, -x, -y+1/2'
 'y+1/4, -z, x+1/4'
 '-y+1/2, z-1/4, x+1/4'
 'y+1/4, z-1/4, -x+1/2'
 '-y+1/2, -z, -x+1/2'
 'x+1/4, y-1/4, -z+1/2'
 'x+1/4, -y, z+1/4'
 '-x+1/2, y-1/4, z+1/4'
 '-x+1/2, -y+1/2, -z'
 'z+1/2, -y-1/4, -x-3/4'
 '-z-1/4, y+1/2, -x-3/4'
 '-z-1/4, -y-1/4, x'
 'z+1/2, y+1/2, x'
 '-y-1/4, -x-1/4, z'
 'y+1/2, -x-1/4, -z-3/4'
 '-y-1/4, x+1/2, -z-3/4'
 'y+1/2, x+1/2, z'
 '-x-1/4, z+1/2, -y-3/4'
 '-x-1/4, -z-1/4, y'
 'x+1/2, -z-1/4, -y-3/4'
 'x+1/2, z+1/2, y'
 '-z+1/2, x+1/4, y-1/4'
 'z+1/4, x+1/4, -y'
 'z+1/4, -x+1/2, y-1/4'
 '-z+1/2, -x+1/2, -y'
 'y+1/4, -z+1/2, x-1/4'
 '-y+1/2, z+1/4, x-1/4'
 'y+1/4, z+1/4, -x'
 '-y+1/2, -z+1/2, -x'
 'x+1/4, y+1/4, -z'
 'x+1/4, -y+1/2, z-1/4'
 '-x+1/2, y+1/4, z-1/4'

_cell_length_a                     10.4746(11)
_cell_length_b                     10.4746(11)
_cell_length_c                     10.4746(11)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1149.2(4)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      6510
_cell_measurement_temperature      293(2)
_cell_measurement_theta_min        3.37
_cell_measurement_theta_max        36.49
_exptl_absorpt_coefficient_mu      52.913
_exptl_absorpt_correction_T_min    0.33059
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_crystal_colour              'brown'
_exptl_crystal_density_diffrn      7.038
_exptl_crystal_density_meas        'not measured'
_exptl_crystal_description         'block'
_exptl_crystal_F_000               2076
_exptl_crystal_size_max            0.06
_exptl_crystal_size_mid            0.05
_exptl_crystal_size_min            0.03
_diffrn_reflns_av_R_equivalents    0.0554
_diffrn_reflns_av_unetI/netI       0.0096
_diffrn_reflns_Laue_measured_fraction_full  0.986
_diffrn_reflns_Laue_measured_fraction_max  0.990
_diffrn_reflns_limit_h_max         14
_diffrn_reflns_limit_h_min         -14
_diffrn_reflns_limit_k_max         14
_diffrn_reflns_limit_k_min         -14
_diffrn_reflns_limit_l_max         14
_diffrn_reflns_limit_l_min         -14
_diffrn_reflns_number              6977
_diffrn_reflns_point_group_measured_fraction_full  0.986
_diffrn_reflns_point_group_measured_fraction_max  0.990
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           29.908
_diffrn_reflns_theta_min           3.369
_diffrn_ambient_temperature        293(2)


_diffrn_detector                   'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean   7.9
_diffrn_detector_type              'CCD area detector'
_diffrn_measured_fraction_theta_full  0.986
_diffrn_measured_fraction_theta_max  0.990
_diffrn_measurement_device         'three-circle diffractometer'
_diffrn_measurement_device_type    'Bruker SMART APEX2 area detector'
_diffrn_measurement_method         'ω and φ scans'
_diffrn_radiation_monochromator    'mirror optics'
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'microfocus sealed X-ray tube'
_diffrn_source_type                'Incoatec I\ms'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  104
_reflns_number_total               104
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'Bruker Apex2'
_computing_data_collection         'Bruker Apex2'
_computing_data_reduction          'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.467
_refine_diff_density_min           -1.518
_refine_diff_density_rms           0.217
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.284
_refine_ls_hydrogen_treatment      undef
_refine_ls_matrix_type             full
_refine_ls_number_parameters       10
_refine_ls_number_reflns           104
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0188
_refine_ls_R_factor_gt             0.0188
_refine_ls_restrained_S_all        1.284
_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)+(0.0340P)²+13.3096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0578
_refine_ls_wR_factor_ref           0.0578
_refine_special_details            ?
_olex2_refinement_description
;
1. Shared sites
{Ta1, Ti1, Nb1, Sn1}
{Bi1, Na1, Ca1}
{O2, F2}
2. Uiso/Uaniso restraints and constraints
Uanis(Ta1) = Uanis(Ti1) = Uanis(Nb1) = Uanis(Sn1)
Uanis(Bi1) = Uanis(Na1) = Uanis(Ca1)
Uanis(O2) = Uanis(F2)
3. Others
 Fixed Sof: Ta1(0.05916) Ti1(0.0125) Nb1(0.00875) Sn1(0.00292) Bi1(0.03333)
 Na1(0.02833) Ca1(0.01542) O2(0.0225) F2(0.01625)
;
_atom_sites_solution_hydrogens     .
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
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
 Ta1 Ta 0.000000 0.000000 0.000000 0.0118(3) Uani 0.7099 12 d S T P . .
 Ti1 Ti 0.000000 0.000000 0.000000 0.0118(3) Uani 0.15 12 d S T P . .
 Nb1 Nb 0.000000 0.000000 0.000000 0.0118(3) Uani 0.105 12 d S T P . .
 Sn1 Sn 0.000000 0.000000 0.000000 0.0118(3) Uani 0.035 12 d S T P . .
 Bi1 Bi 0.500000 0.500000 0.500000 0.0609(7) Uani 0.4 12 d S T P . .
 Na1 Na 0.500000 0.500000 0.500000 0.0609(7) Uani 0.34 12 d S T P . .
 Ca1 Ca 0.500000 0.500000 0.500000 0.0609(7) Uani 0.185 12 d S T P . .
 O1 O 0.3181(5) 0.125000 0.125000 0.0241(10) Uani 1 4 d S T P . .
 O2 O 0.625000 0.625000 0.625000 0.044(4) Uani 0.54 24 d S T P . .
 F2 F 0.625000 0.625000 0.625000 0.044(4) Uani 0.39 24 d S T P . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
 Ta1 Na1 3.7033(4) 50_543 ?
 Ta1 Na1 3.7033(4) 74_534 ?
 Ta1 Na1 3.7033(4) 27_453 ?
 Ta1 Na1 3.7033(4) 52_345 ?
 Ta1 Na1 3.7033(4) 75_354 ?
 Ta1 Na1 3.7033(4) 28_435 ?
 Ta1 O1 1.9843(19) 106_656 ?
 Ta1 O1 1.9843(19) 2_544 ?
 Ta1 O1 1.9843(19) 6_445 ?
 Ta1 O1 1.9843(19) 10_454 ?
 Ta1 O1 1.9843(19) 102_665 ?
 Ta1 O1 1.9843(19) 98_566 ?
 Bi1 O1 2.657(4) 56_464 ?
 Bi1 O1 2.657(4) 172_665 ?
 Bi1 O1 2.657(4) 76_446 ?
 Bi1 O1 2.657(4) 25 ?
 Bi1 O1 2.657(4) 121_655 ?
 Bi1 O1 2.657(4) 152_656 ?
 Bi1 O2 2.2678(2) 97_666 ?
 Bi1 O2 2.2678(2) . ?

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
 Na1 Ta1 Na1 60.0 50_543 52_345 ?
 Na1 Ta1 Na1 120.0 52_345 27_453 ?
 Na1 Ta1 Na1 120.0 52_345 74_534 ?
 Na1 Ta1 Na1 120.0 50_543 28_435 ?
 Na1 Ta1 Na1 180.0 75_354 27_453 ?
 Na1 Ta1 Na1 180.0 52_345 28_435 ?
 Na1 Ta1 Na1 60.0 50_543 27_453 ?
 Na1 Ta1 Na1 60.0 75_354 74_534 ?
 Na1 Ta1 Na1 60.0 28_435 27_453 ?
 Na1 Ta1 Na1 120.0 50_543 75_354 ?
 Na1 Ta1 Na1 180.0 50_543 74_534 ?
 Na1 Ta1 Na1 60.0 52_345 75_354 ?
 Na1 Ta1 Na1 60.0 28_435 74_534 ?
 Na1 Ta1 Na1 120.0 28_435 75_354 ?
 Na1 Ta1 Na1 120.0 27_453 74_534 ?
 O1 Ta1 Na1 43.88(10) 102_665 28_435 ?
 O1 Ta1 Na1 136.12(10) 106_656 28_435 ?
 O1 Ta1 Na1 90.0 106_656 74_534 ?
 O1 Ta1 Na1 136.12(10) 6_445 28_435 ?
 O1 Ta1 Na1 136.12(10) 10_454 52_345 ?
 O1 Ta1 Na1 90.0 98_566 28_435 ?
 O1 Ta1 Na1 136.12(10) 98_566 74_534 ?
 O1 Ta1 Na1 90.0 2_544 28_435 ?
 O1 Ta1 Na1 43.88(10) 98_566 27_453 ?
 O1 Ta1 Na1 90.0 10_454 50_543 ?
 O1 Ta1 Na1 43.88(10) 6_445 52_345 ?
 O1 Ta1 Na1 136.12(10) 102_665 50_543 ?
 O1 Ta1 Na1 43.88(10) 102_665 74_534 ?
 O1 Ta1 Na1 43.88(10) 106_656 75_354 ?
 O1 Ta1 Na1 90.0 2_544 52_345 ?
 O1 Ta1 Na1 136.12(10) 10_454 75_354 ?
 O1 Ta1 Na1 90.0 6_445 27_453 ?
 O1 Ta1 Na1 90.0 102_665 75_354 ?
 O1 Ta1 Na1 136.12(10) 2_544 27_453 ?
 O1 Ta1 Na1 43.88(10) 6_445 50_543 ?
 O1 Ta1 Na1 136.12(10) 102_665 52_345 ?
 O1 Ta1 Na1 43.88(10) 2_544 75_354 ?
 O1 Ta1 Na1 90.0 98_566 52_345 ?
 O1 Ta1 Na1 43.88(10) 98_566 50_543 ?
 O1 Ta1 Na1 90.0 10_454 74_534 ?
 O1 Ta1 Na1 136.12(10) 2_544 50_543 ?
 O1 Ta1 Na1 136.12(10) 6_445 74_534 ?
 O1 Ta1 Na1 43.88(10) 106_656 52_345 ?
 O1 Ta1 Na1 43.88(10) 2_544 74_534 ?
 O1 Ta1 Na1 136.12(10) 106_656 27_453 ?
 O1 Ta1 Na1 90.0 106_656 50_543 ?
 O1 Ta1 Na1 43.88(10) 10_454 27_453 ?
 O1 Ta1 Na1 43.88(10) 10_454 28_435 ?
 O1 Ta1 Na1 90.0 102_665 27_453 ?
 O1 Ta1 Na1 136.12(10) 98_566 75_354 ?
 O1 Ta1 Na1 90.0 6_445 75_354 ?
 O1 Ta1 O1 180.0(3) 102_665 6_445 ?
 O1 Ta1 O1 92.24(19) 6_445 2_544 ?
 O1 Ta1 O1 87.76(19) 10_454 102_665 ?
 O1 Ta1 O1 92.24(19) 106_656 98_566 ?
 O1 Ta1 O1 180.0(3) 106_656 10_454 ?
 O1 Ta1 O1 87.76(19) 10_454 98_566 ?
 O1 Ta1 O1 87.76(19) 102_665 2_544 ?
 O1 Ta1 O1 92.24(19) 102_665 98_566 ?
 O1 Ta1 O1 180.0(3) 98_566 2_544 ?
 O1 Ta1 O1 87.76(19) 6_445 98_566 ?
 O1 Ta1 O1 92.24(19) 106_656 102_665 ?
 O1 Ta1 O1 87.76(19) 106_656 2_544 ?
 O1 Ta1 O1 92.24(19) 10_454 6_445 ?
 O1 Ta1 O1 92.24(19) 10_454 2_544 ?
 O1 Ta1 O1 87.76(19) 106_656 6_445 ?
 O1 Bi1 O1 180.0 25 121_655 ?
 O1 Bi1 O1 62.36(4) 172_665 56_464 ?
 O1 Bi1 O1 117.64(4) 172_665 152_656 ?
 O1 Bi1 O1 62.36(4) 25 76_446 ?
 O1 Bi1 O1 62.36(4) 121_655 152_656 ?
 O1 Bi1 O1 117.64(4) 121_655 76_446 ?
 O1 Bi1 O1 117.64(4) 76_446 56_464 ?
 O1 Bi1 O1 62.36(4) 121_655 172_665 ?
 O1 Bi1 O1 117.64(4) 25 152_656 ?
 O1 Bi1 O1 180.0 76_446 172_665 ?
 O1 Bi1 O1 62.36(4) 76_446 152_656 ?
 O1 Bi1 O1 62.36(4) 25 56_464 ?
 O1 Bi1 O1 180.0 56_464 152_656 ?
 O1 Bi1 O1 117.64(4) 121_655 56_464 ?
 O1 Bi1 O1 117.64(4) 25 172_665 ?
 O2 Bi1 O1 81.08(8) 97_666 56_464 ?
 O2 Bi1 O1 98.92(8) 97_666 172_665 ?
 O2 Bi1 O1 81.08(8) . 152_656 ?
 O2 Bi1 O1 98.92(8) . 56_464 ?
 O2 Bi1 O1 98.92(8) . 121_655 ?
 O2 Bi1 O1 81.08(8) 97_666 76_446 ?
 O2 Bi1 O1 81.08(8) . 25 ?
 O2 Bi1 O1 98.92(8) . 76_446 ?
 O2 Bi1 O1 81.08(8) . 172_665 ?
 O2 Bi1 O1 98.92(8) 97_666 25 ?
 O2 Bi1 O1 98.92(8) 97_666 152_656 ?
 O2 Bi1 O1 81.08(8) 97_666 121_655 ?
 O2 Bi1 O2 180.0 97_666 . ?
 Ta1 O1 Ta1 137.9(3) 76_445 51_454 ?
 Ta1 O1 Bi1 104.94(8) 76_445 25_544 ?
 Ta1 O1 Bi1 104.94(8) 51_454 2_644 ?
 Ta1 O1 Bi1 104.94(8) 51_454 25_544 ?
 Ta1 O1 Bi1 104.94(8) 76_445 2_644 ?
 Bi1 O1 Bi1 88.37(15) 2_644 25_544 ?
 Bi1 O2 Bi1 109.5 . 76_446 ?
 Bi1 O2 Bi1 109.5 76_446 51_464 ?
 Bi1 O2 Bi1 109.5 . 51_464 ?
 Bi1 O2 Bi1 109.5 . 26_644 ?
 Bi1 O2 Bi1 109.5 26_644 51_464 ?
 Bi1 O2 Bi1 109.5 76_446 26_644 ?

_olex2_submission_special_instructions  'No special instructions were received'
