#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/15/1511526.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_1511526 loop_ _publ_author_name 'Bubnova, R.S.' 'Egorysheva, A.V.' 'Kozin, M.S.' 'Krzhizhanovskaya, M.G.' 'Filatov, S.K.' 'Volodin, V.D.' _publ_section_title ; Synthesis, crystal structure and thermal behavior of a novel oxoborate Sr Bi2 B4 O10 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 1260 _journal_page_last 1264 _journal_paper_doi 10.1016/j.jssc.2009.02.011 _journal_volume 182 _journal_year 2009 _chemical_formula_sum 'B4 Bi2 O10 Sr' _chemical_name_systematic 'Sr Bi2 (B4 O10)' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 96.095 _cell_angle_beta 109.116 _cell_angle_gamma 101.937 _cell_formula_units_Z 2 _cell_length_a 6.819 _cell_length_b 9.856 _cell_length_c 9.8118 _cell_volume 598.711 _citation_journal_id_ASTM JSSCBI _cod_data_source_file boron4-x_16.cif _cod_data_source_block B4Bi2O10Sr1 _cod_original_formula_sum 'B4 Bi2 O10 Sr1' _cod_database_code 1511526 loop_ _symmetry_equiv_pos_as_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_occupancy _atom_site_U_iso_or_equiv O10 O-2 1.2443 1.1679 1.092 1 0.0 O2 O-2 1.3991 1.2331 0.9327 1 0.0 O6 O-2 0.8868 0.513 0.2492 1 0.0 O7 O-2 0.7523 0.5025 0.4491 1 0.0 O1 O-2 0.9202 0.8122 0.3948 1 0.0 B1 B+3 1.587 1.256 0.9039 1 0.0 Bi2 Bi+3 0.69872 1.02018 0.40281 1 0.0 B4 B+3 0.85 0.607 0.3703 1 0.0 B3 B+3 1.197 0.701 0.8272 1 0.0 Sr1 Sr+2 0.9646 1.1497 0.83386 1 0.0 O8 O-2 1.7805 1.2919 1.0156 1 0.0 O9 O-2 1.536 1.2296 0.7633 1 0.0 O4 O-2 1.4134 0.7845 0.8179 1 0.0 B2 B+3 1.399 1.204 1.0712 1 0.0 O5 O-2 1.0556 0.8182 0.7515 1 0.0 O3 O-2 0.6459 0.8918 0.5895 1 0.0 Bi1 Bi+3 0.73462 0.6378 0.6635 1 0.0