#------------------------------------------------------------------------------ #$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $ #$Revision: 91933 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/30/2003076.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2003076 loop_ _publ_author_name 'Ling, C. D.' 'Schmid, S.' 'Withers, R. L.' 'Thompson, J. G.' 'Ishizawa, N.' 'Kishimoto, S' _publ_section_title ; Solution and refinement of the crystal structure of Bi~7~Ta~3~O~18~ ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 157 _journal_page_last 164 _journal_volume 55 _journal_year 1999 _chemical_formula_sum 'Bi7 O18 Ta3' _chemical_formula_weight 2293.71 _chemical_name_systematic 'bismuth tantalum oxide' _space_group_IT_number 1 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall 'P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)' _symmetry_space_group_name_H-M 'C 1' _audit_creation_method from_xtal_archive_file_using_CIFIO _cell_angle_alpha 90.086(6) _cell_angle_beta 109.127(6) _cell_angle_gamma 90.043(6) _cell_formula_units_Z 4 _cell_length_a 34.005(3) _cell_length_b 7.6024(4) _cell_length_c 6.6358(5) _cell_measurement_reflns_used 25 _cell_measurement_temperature 293 _cell_measurement_theta_max 37.98 _cell_measurement_theta_min 22.76 _cell_volume 1620.8(2) _computing_data_reduction xtal_DIFDAT_SORTRF_ADDREF_ABSORB _computing_molecular_graphics xtal _computing_publication_material xtal_CIFIO _computing_structure_refinement xtal_LSLS _computing_structure_solution xtal _diffrn_ambient_temperature 293 _diffrn_measurement_device Tsukuba _diffrn_radiation_monochromator Si _diffrn_radiation_source synchrotron _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.9580(4) _diffrn_reflns_av_R_equivalents .023 _diffrn_reflns_av_sigmaI/netI .049 _diffrn_reflns_limit_h_max 54 _diffrn_reflns_limit_h_min -54 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_number 17604.000000000 _diffrn_reflns_reduction_process equatorial_monochr_Lp _diffrn_reflns_theta_max 50. _diffrn_reflns_theta_min 1.71 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 200 _diffrn_standards_number 6 _exptl_absorpt_coefficient_mu 85.4 _exptl_absorpt_correction_T_max 0.844 _exptl_absorpt_correction_T_min 0.277 _exptl_absorpt_correction_type gaussian _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 9.4 _exptl_crystal_description plate _exptl_crystal_F_000 3776 _exptl_crystal_size_max 0.020 _exptl_crystal_size_mid 0.020 _exptl_crystal_size_min 0.002 _refine_diff_density_max 5.80 _refine_diff_density_min -5.61 _refine_ls_extinction_coef 183E1(3) _refine_ls_extinction_method 'Zachariasen (1968)' _refine_ls_goodness_of_fit_obs 1.2490 _refine_ls_matrix_type full _refine_ls_number_constraints 1 _refine_ls_number_parameters 327 _refine_ls_number_reflns 11796.000000000 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0500 _refine_ls_R_factor_obs 0.0386 _refine_ls_shift/esd_max .00118 _refine_ls_shift/esd_mean .00019 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_scheme w=1/\s^2^ _refine_ls_wR_factor_obs 0.0337 _reflns_number_observed 11796.000000000 _reflns_number_total 13798.000000000 _reflns_observed_criterion refl_observed_if_Fsqd_>_3.000_sigma(Fsqd) _[local]_cod_data_source_file os0006.cif _[local]_cod_data_source_block xtl _[local]_cod_cif_authors_sg_Hall 'C 1' _cod_depositor_comments ; The following automatic conversions were performed: '_refine_ls_matrix_type' tag value 'Full_matrix' was replaced with 'full' value. Automatic conversion script Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana ; _cod_database_code 2003076 loop_ _symmetry_equiv_pos_as_xyz +x,+y,+z 1/2+x,1/2+y,+z loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Bi1 .0304(4) .0088(3) .0224(3) .0040(3) .0180(3) .0028(2) Bi2 .0076(2) .0086(2) .0075(2) -.0001(2) .00230(19) -.0002(2) Bi3 .0068(2) .0082(2) .0083(2) .0004(2) .00184(18) -.0001(2) Ta4 .0058(2) .0051(2) .0056(2) -.00038(16) .00254(16) -.00041(15) Bi5 .0111(2) .0093(2) .0085(2) -.00057(19) .00229(18) -.00022(18) Ta6 .0058(2) .0053(2) .0059(2) .00013(16) .00278(16) .00015(15) Bi7 .0073(2) .0080(2) .0074(2) -.0010(2) .0023(2) -.0004(2) Ta8 .0069(2) .00494(17) .0064(2) -.00009(16) .00363(18) -.00013(16) Bi9 .0107(2) .0099(3) .0100(2) .0000(2) .0031(2) .0000(2) Bi10 .0180(3) .0112(3) .0174(3) -.0040(3) .0070(3) -.0006(2) Bi11 .0073(2) .0139(3) .0099(2) .0003(2) .0017(2) .0002(2) Ta12 .0047(2) .0049(2) .0059(2) -.00043(17) .00177(17) -.00029(16) Bi13 .0071(2) .0086(2) .0071(2) .0006(2) .00201(18) -.00056(19) Bi14 .0075(2) .0119(3) .0098(2) -.0001(2) .00397(18) .0000(2) Ta15 .0073(2) .00481(16) .0070(2) -.00018(15) .00411(17) .00023(15) Bi16 .0077(3) .0103(2) .0076(2) .0001(2) .0013(2) -.0005(2) Bi17 .0081(2) .0118(3) .0094(2) -.0001(2) .00276(19) -.0003(2) Ta18 .0054(2) .0049(2) .0060(2) -.00068(17) .00248(17) -.00049(16) Bi19 .0085(2) .0101(2) .0069(2) -.0005(2) .00247(19) .0000(2) Bi20 .0064(2) .0103(2) .0082(2) -.0003(2) .00202(19) .0004(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_calc_attached_atom Bi1 .34035(3) .23954(9) .48808(13) .0175(4) Uani ? ? Bi2 .338481(19) -.49941(8) -.03295(9) .0077(3) Uani ? ? Bi3 .352745(18) .00191(8) .00818(8) .0078(3) Uani ? ? Ta4 .439500(19) .25362(8) -.02517(10) .0053(2) Uani ? ? Bi5 .13920(2) .25045(8) .42381(9) .0084(3) Uani ? ? Ta6 .44073(2) -.24841(8) -.01788(10) .0052(3) Uani ? ? Bi7 .145987(18) -.49905(7) -.03491(8) .0074(3) Uani ? ? Ta8 .25045(2) -.25148(9) .00335(10) .0055(2) Uani ? ? Bi9 .13846(2) -.25211(8) .42799(10) .0106(3) Uani ? ? Bi10 .35341(2) -.25195(9) -.49329(11) .0149(4) Uani ? ? Bi11 .44582(2) .01013(9) -.47120(9) .0108(3) Uani ? ? Ta12 .051995(18) -.25145(7) -.03194(9) .0052(3) Uani ? ? Bi13 .249612(19) -.00439(8) -.47642(9) .0076(3) Uani ? ? Bi14 .05081(2) .00216(9) -.50979(10) .0095(3) Uani ? ? Ta15 .24956(2) .25148(9) -.00335(11) .0059(2) Uani ? ? Bi16 .246719(19) -.49654(9) .46346(9) .0090(3) Uani ? ? Bi17 .045577(19) -.49984(8) .42758(9) .0097(3) Uani ? ? Ta18 .052326(18) .25109(7) -.03323(9) .0049(3) Uani ? ? Bi19 .158172(19) -.00140(8) -.00700(8) .0088(3) Uani ? ? Bi20 .44170(2) -.50124(8) .46484(9) .0079(3) Uani ? ? O1 .4279(3) .0028(12) -.1082(13) .0066(14) Uiso ? ? O2 .3787(3) -.2898(13) -.1112(15) .0104(16) Uiso ? ? O3 .1165(3) -.2130(12) .0673(14) .0084(15) Uiso ? ? O4 .3789(3) .2971(13) -.1083(15) .0117(17) Uiso ? ? O5 .1162(3) .2103(11) .0686(13) .0053(14) Uiso ? ? O6 .0674(3) .2152(12) .2988(14) .0068(15) Uiso ? ? O7 .4455(3) .2042(13) .2681(15) .0127(17) Uiso ? ? O8 .4476(3) -.1953(13) .2686(16) .0137(18) Uiso ? ? O9 .4247(3) -.2881(12) -.3500(14) .0096(16) Uiso ? ? O10 .4971(3) -.2166(12) -.0312(14) .0087(15) Uiso ? ? O11 .2356(3) .0006(13) -.0646(15) .0124(16) Uiso ? ? O12 .3814(3) -.0066(13) .4020(14) .0095(15) Uiso ? ? O13 .2581(3) -.2062(13) .3109(15) .0129(17) Uiso ? ? O14 .4506(3) -.4968(13) .0500(15) .0119(17) Uiso ? ? O15 .2662(3) .2029(11) .3241(13) .0085(14) Uiso ? ? O16 .1632(3) -.4978(13) .3090(14) .0100(15) Uiso ? ? O17 .3246(3) .0028(14) -.3502(15) .0146(17) Uiso ? ? O18 .0456(3) -.0030(13) -.1058(14) .0110(16) Uiso ? ? O19 .3779(3) -.4902(14) .3089(15) .0144(17) Uiso ? ? O20 .1917(3) .2938(12) -.0200(14) .0117(16) Uiso ? ? O21 .1131(3) .0024(14) -.3657(15) .0144(17) Uiso ? ? O22 .1907(3) -.2977(14) -.0463(16) .0158(18) Uiso ? ? O23 .0671(3) -.5002(13) .0475(13) .0083(15) Uiso ? ? O24 .1805(3) .0085(14) .3466(16) .0142(18) Uiso ? ? O25 .1098(3) -.4942(14) -.4592(16) .0136(17) Uiso ? ? O26 .0476(3) .2990(12) -.3211(14) .0094(16) Uiso ? ? O27 .0687(3) -.2092(13) .2996(15) .0106(16) Uiso ? ? O28 .2646(3) -.4973(12) .0867(14) .0105(15) Uiso ? ? O29 .4278(3) .2940(13) -.3478(15) .0107(16) Uiso ? ? O30 .0448(3) -.2963(14) -.3225(16) .0148(18) Uiso ? ? O31 .3110(3) .2065(13) .0623(15) .0151(18) Uiso ? ? O32 .3111(3) -.1971(14) .0691(17) .019(2) Uiso ? ? O33 .2428(3) .3012(15) -.2909(17) .022(2) Uiso ? ? O34 .3141(3) -.5071(14) -.4091(16) .0153(18) Uiso ? ? O35 .2463(3) -.3006(14) -.2943(17) .019(2) Uiso ? ? O36 .4982(3) .2185(13) -.0190(14) .0095(16) Uiso ? ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Bi ? -9.511 4.206 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ta ? -3.946 10.597 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 O ? .015015 .012024 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle O17 Bi1 O34 1_556 1_566 110.5(4) O17 Bi1 O15 1_556 . 75.3(3) O34 Bi1 O15 1_566 . 77.4(3) O19 Bi2 O4 . 1_545 92.3(4) O19 Bi2 O2 1_545 . 90.4(4) O19 Bi2 O34 1_545 . 164.7(4) O4 Bi2 O2 1_545 . 88.5(4) O4 Bi2 O34 1_545 . 77.0(4) O2 Bi2 O34 . . 78.6(4) O32 Bi3 O31 . . 88.2(4) O32 Bi3 O17 . . 97.0(4) O31 Bi3 O17 . . 95.4(4) O7 Ta4 O14 1_565 . 89.1(4) O7 Ta4 O4 . . 94.0(4) O7 Ta4 O1 . . 92.2(4) O7 Ta4 O36 . . 100.3(4) O7 Ta4 O29 . . 174.6(4) O14 Ta4 O4 1_565 . 90.2(4) O14 Ta4 O1 1_565 . 178.7(4) O14 Ta4 O36 1_565 . 91.0(4) O14 Ta4 O29 1_565 . 94.2(4) O4 Ta4 O1 . . 89.5(4) O4 Ta4 O36 . . 165.6(4) O4 Ta4 O29 . . 81.7(4) O1 Ta4 O36 . . 89.0(4) O1 Ta4 O29 . . 84.4(4) O36 Ta4 O29 . . 83.9(4) O5 Bi5 O16 . 1_565 78.7(3) O5 Bi5 O6 . . 69.3(3) O5 Bi5 O25 . 1_566 113.9(3) O16 Bi5 O6 1_565 . 114.9(3) O16 Bi5 O25 1_565 1_566 70.7(4) O6 Bi5 O25 . 1_566 73.2(3) O8 Ta6 O14 . . 91.0(4) O8 Ta6 O10 . . 102.7(4) O8 Ta6 O1 . . 92.4(4) O8 Ta6 O2 . . 96.5(4) O8 Ta6 O9 . . 171.6(4) O14 Ta6 O10 . . 91.9(4) O14 Ta6 O1 . . 176.0(3) O14 Ta6 O2 . . 90.2(4) O14 Ta6 O9 . . 94.1(4) O10 Ta6 O1 . . 89.4(4) O10 Ta6 O2 . . 160.6(4) O10 Ta6 O9 . . 83.8(4) O1 Ta6 O2 . . 87.3(4) O1 Ta6 O9 . . 82.3(4) O2 Ta6 O9 . . 76.8(4) O16 Bi7 O22 . . 94.8(4) O16 Bi7 O20 . 1_545 90.7(3) O22 Bi7 O20 . 1_545 90.8(4) O28 Ta8 O35 . . 91.9(4) O28 Ta8 O22 . . 91.3(4) O28 Ta8 O11 . . 176.6(4) O28 Ta8 O13 . . 86.4(4) O28 Ta8 O32 . . 89.7(4) O35 Ta8 O22 . . 93.9(4) O35 Ta8 O11 . . 91.4(4) O35 Ta8 O13 . . 176.7(4) O35 Ta8 O32 . . 89.3(5) O22 Ta8 O11 . . 87.9(4) O22 Ta8 O13 . . 89.1(4) O22 Ta8 O32 . . 176.7(4) O11 Ta8 O13 . . 90.3(4) O11 Ta8 O32 . . 91.0(4) O13 Ta8 O32 . . 87.8(4) O27 Bi9 O3 . . 69.1(4) O27 Bi9 O16 . . 116.5(3) O27 Bi9 O25 . 1_556 74.8(3) O3 Bi9 O16 . . 77.1(3) O3 Bi9 O25 . 1_556 114.5(3) O16 Bi9 O25 . 1_556 72.8(4) O12 Bi10 O9 1_554 . 74.9(3) O12 Bi10 O2 1_554 . 112.0(3) O9 Bi10 O2 . . 65.8(4) O12 Bi11 O7 1_554 1_554 89.3(4) O12 Bi11 O8 1_554 1_554 86.5(4) O12 Bi11 O29 1_554 . 80.9(3) O7 Bi11 O8 1_554 1_554 82.3(4) O7 Bi11 O29 1_554 . 75.1(4) O8 Bi11 O29 1_554 . 154.2(3) O36 Ta12 O30 2_445 . 102.9(4) O36 Ta12 O18 2_445 . 95.6(4) O36 Ta12 O23 2_445 . 92.5(4) O36 Ta12 O3 2_445 . 160.2(4) O36 Ta12 O27 2_445 . 84.4(4) O30 Ta12 O18 . . 87.2(4) O30 Ta12 O23 . . 92.1(4) O30 Ta12 O3 . . 96.7(4) O30 Ta12 O27 . . 172.2(4) O18 Ta12 O23 . . 171.7(4) O18 Ta12 O3 . . 88.0(4) O18 Ta12 O27 . . 94.9(4) O23 Ta12 O3 . . 83.9(4) O23 Ta12 O27 . . 84.8(4) O3 Ta12 O27 . . 75.8(4) O13 Bi13 O15 1_554 1_554 90.0(4) O13 Bi13 O24 1_554 1_554 91.8(4) O13 Bi13 O17 1_554 . 83.7(4) O15 Bi13 O24 1_554 1_554 94.6(3) O15 Bi13 O17 1_554 . 75.4(3) O24 Bi13 O17 1_554 . 169.0(4) O21 Bi14 O6 . 1_554 81.3(4) O21 Bi14 O27 . 1_554 80.3(4) O6 Bi14 O27 1_554 1_554 91.9(4) O33 Ta15 O20 . . 97.1(4) O33 Ta15 O11 . . 92.6(4) O33 Ta15 O28 . 1_565 92.5(4) O33 Ta15 O31 . . 91.5(5) O33 Ta15 O15 . . 171.7(4) O20 Ta15 O11 . . 88.8(4) O20 Ta15 O28 . 1_565 90.7(4) O20 Ta15 O31 . . 171.3(4) O20 Ta15 O15 . . 90.7(4) O11 Ta15 O28 . 1_565 174.9(4) O11 Ta15 O31 . . 92.4(4) O11 Ta15 O15 . . 90.4(4) O28 Ta15 O31 1_565 . 87.3(4) O28 Ta15 O15 1_565 . 84.5(3) O31 Ta15 O15 . . 80.6(4) O34 Bi16 O35 1_556 1_556 90.0(4) O34 Bi16 O33 1_556 1_546 89.8(4) O35 Bi16 O33 1_556 1_546 85.3(4) O25 Bi17 O26 1_556 1_546 88.4(4) O25 Bi17 O30 1_556 1_556 89.1(4) O26 Bi17 O30 1_546 1_556 85.8(4) O10 Ta18 O26 2_455 1_555 103.0(4) O10 Ta18 O23 2_455 1_565 92.2(4) O10 Ta18 O18 2_455 1_555 95.3(4) O10 Ta18 O5 2_455 1_555 161.6(4) O10 Ta18 O6 2_455 1_555 85.0(4) O26 Ta18 O23 . 1_565 91.0(4) O26 Ta18 O18 . . 88.8(4) O26 Ta18 O5 . . 95.2(4) O26 Ta18 O6 . . 170.7(4) O23 Ta18 O18 1_565 . 172.4(4) O23 Ta18 O5 1_565 . 84.8(3) O23 Ta18 O6 1_565 . 83.7(3) O18 Ta18 O5 . . 87.6(4) O18 Ta18 O6 . . 95.4(4) O5 Ta18 O6 . . 76.7(4) O24 Bi19 O3 . . 79.5(4) O24 Bi19 O5 . . 76.7(3) O24 Bi19 O21 . . 161.1(4) O3 Bi19 O5 . . 88.4(3) O3 Bi19 O21 . . 89.1(3) O5 Bi19 O21 . . 88.1(3) O19 Bi20 O29 . 1_546 85.7(4) O19 Bi20 O9 . 1_556 80.0(4) O29 Bi20 O9 1_546 1_556 93.6(4) Ta4 O1 Ta6 . . 145.7(4) Ta6 O2 Bi2 . . 133.3(4) Ta6 O2 Bi10 . . 106.2(5) Bi2 O2 Bi10 . . 107.0(3) Ta12 O3 Bi9 . . 105.1(5) Ta12 O3 Bi19 . . 133.2(4) Bi9 O3 Bi19 . . 107.7(3) Ta4 O4 Bi2 . 1_565 135.7(5) Ta18 O5 Bi5 . . 106.8(4) Ta18 O5 Bi19 . . 133.5(4) Bi5 O5 Bi19 . . 107.1(3) Ta18 O6 Bi14 . 1_556 131.7(4) Ta18 O6 Bi5 . . 103.0(4) Bi14 O6 Bi5 1_556 . 108.1(3) Ta4 O7 Bi11 . 1_556 150.4(5) Ta6 O8 Bi11 . 1_556 149.6(5) Ta6 O9 Bi20 . 1_554 131.0(4) Ta6 O9 Bi10 . . 106.8(5) Bi20 O9 Bi10 1_554 . 106.7(3) Ta18 O10 Ta6 2_545 . 165.3(6) Ta15 O11 Ta8 . . 148.8(4) Bi11 O12 Bi10 1_556 1_556 114.3(4) Ta8 O13 Bi13 . 1_556 141.7(5) Ta6 O14 Ta4 . 1_545 150.9(5) Ta15 O15 Bi13 . 1_556 134.6(4) Ta15 O15 Bi1 . . 109.6(4) Bi13 O15 Bi1 1_556 . 104.0(3) Bi7 O16 Bi9 . . 111.3(4) Bi7 O16 Bi5 . 1_545 110.1(4) Bi9 O16 Bi5 . 1_545 110.7(4) Bi1 O17 Bi3 1_554 . 115.0(4) Bi1 O17 Bi13 1_554 . 104.0(4) Bi3 O17 Bi13 . . 113.7(5) Ta12 O18 Ta18 . . 152.7(5) Bi20 O19 Bi2 . . 133.4(6) Ta15 O20 Bi7 . 1_565 143.5(5) Bi14 O21 Bi19 . . 135.1(6) Ta8 O22 Bi7 . . 144.0(5) Ta18 O23 Ta12 1_545 . 144.6(4) Bi19 O24 Bi13 . 1_556 119.1(5) Bi17 O25 Bi9 1_554 1_554 113.9(4) Bi17 O25 Bi5 1_554 1_544 111.5(4) Bi9 O25 Bi5 1_554 1_544 105.7(5) Ta18 O26 Bi17 . 1_564 148.1(5) Ta12 O27 Bi14 . 1_556 131.7(4) Ta12 O27 Bi9 . . 105.1(5) Bi14 O27 Bi9 1_556 . 109.6(4) Ta8 O28 Ta15 . 1_545 143.4(4) Ta4 O29 Bi20 . 1_564 134.9(5) Ta4 O29 Bi11 . . 103.2(4) Bi20 O29 Bi11 1_564 . 108.6(5) Ta12 O30 Bi17 . 1_554 146.7(5) Ta15 O31 Bi3 . . 139.3(5) Ta8 O32 Bi3 . . 141.2(5) Ta15 O33 Bi16 . 1_564 147.7(6) Bi16 O34 Bi1 1_554 1_544 112.1(4) Bi16 O34 Bi2 1_554 . 111.8(5) Bi1 O34 Bi2 1_544 . 107.2(4) Ta8 O35 Bi16 . 1_554 147.9(6) Ta12 O36 Ta4 2 . 164.9(6) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Bi1 O17 1_556 2.249(11) yes Bi1 O34 1_566 2.317(11) yes Bi1 O15 . 2.413(8) yes Bi2 O19 . 2.225(9) yes Bi2 O4 1_545 2.234(11) yes Bi2 O2 . 2.268(11) yes Bi2 O34 . 2.359(10) yes Bi3 O32 . 2.198(12) yes Bi3 O31 . 2.213(11) yes Bi3 O17 . 2.254(9) yes Ta4 O7 . 1.927(10) yes Ta4 O14 1_565 1.966(10) yes Ta4 O4 . 1.978(10) yes Ta4 O1 . 1.987(9) yes Ta4 O36 . 2.001(10) yes Ta4 O29 . 2.069(10) yes Bi5 O5 . 2.247(8) yes Bi5 O16 1_565 2.306(10) yes Bi5 O6 . 2.322(9) yes Bi5 O25 1_566 2.424(11) yes Ta6 O8 . 1.881(11) yes Ta6 O14 . 1.946(10) yes Ta6 O10 . 1.962(10) yes Ta6 O1 . 2.008(9) yes Ta6 O2 . 2.019(10) yes Ta6 O9 . 2.111(9) yes Bi7 O16 . 2.162(9) yes Bi7 O22 . 2.174(11) yes Bi7 O20 1_545 2.192(10) yes Ta8 O28 . 1.965(9) yes Ta8 O35 . 1.969(11) yes Ta8 O22 . 1.981(11) yes Ta8 O11 . 1.996(10) yes Ta8 O13 . 2.000(10) yes Ta8 O32 . 2.006(11) yes Bi9 O27 . 2.268(9) yes Bi9 O3 . 2.282(9) yes Bi9 O16 . 2.292(10) yes Bi9 O25 1_556 2.319(11) yes Bi10 O12 1_554 2.303(10) yes Bi10 O9 . 2.314(9) yes Bi10 O2 . 2.414(9) yes Bi11 O12 1_554 2.075(9) yes Bi11 O7 1_554 2.273(11) yes Bi11 O8 1_554 2.341(11) yes Bi11 O29 . 2.456(10) yes Ta12 O36 2_445 1.873(10) yes Ta12 O30 . 1.893(11) yes Ta12 O18 . 1.947(10) yes Ta12 O23 . 1.986(9) yes Ta12 O3 . 2.092(9) yes Ta12 O27 . 2.108(10) yes Bi13 O13 1_554 2.166(10) yes Bi13 O15 1_554 2.247(9) yes Bi13 O24 1_554 2.259(10) yes Bi13 O17 . 2.409(10) yes Bi14 O21 . 2.018(9) yes Bi14 O6 1_554 2.243(10) yes Bi14 O27 1_554 2.247(10) yes Ta15 O33 . 1.885(12) yes Ta15 O20 . 1.962(10) yes Ta15 O11 . 1.975(10) yes Ta15 O28 1_565 2.015(9) yes Ta15 O31 . 2.020(10) yes Ta15 O15 . 2.092(9) yes Bi16 O34 1_556 2.169(10) yes Bi16 O35 1_556 2.193(11) yes Bi16 O33 1_546 2.277(12) yes Bi17 O25 1_556 2.064(10) yes Bi17 O26 1_546 2.249(10) yes Bi17 O30 1_556 2.273(11) yes Ta18 O10 2_455 1.899(10) yes Ta18 O26 . 1.900(10) yes Ta18 O23 1_565 1.984(9) yes Ta18 O18 . 1.985(10) yes Ta18 O5 . 2.077(9) yes Ta18 O6 . 2.110(9) yes Bi19 O24 . 2.218(10) yes Bi19 O3 . 2.302(10) yes Bi19 O5 . 2.313(9) yes Bi19 O21 . 2.372(9) yes Bi20 O19 . 2.078(9) yes Bi20 O29 1_546 2.141(10) yes Bi20 O9 1_556 2.220(10) yes _journal_paper_doi 10.1107/S0108768198011148