#------------------------------------------------------------------------------ #$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $ #$Revision: 85285 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/23/9012327.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9012327 loop_ _publ_author_name 'Gattow, G.' 'Schutze, D.' _publ_section_title ; Uber Wismutoxide. VI. Uber ein Wismut(III)-oxid mit hoherem sauerstoffgehalt (beta-modifikation) Note: transformed from C-42b Locality: synthetic ; _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_page_first 44 _journal_page_last 68 _journal_volume 328 _journal_year 1964 _chemical_formula_sum 'Bi2 O3' _chemical_name_mineral Sphaerobismoite _space_group_IT_number 117 _symmetry_space_group_name_Hall 'P -4 -2ab' _symmetry_space_group_name_H-M 'P -4 b 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.74 _cell_length_b 7.74 _cell_length_c 5.63 _cell_volume 337.280 _exptl_crystal_density_diffrn 9.176 _cod_database_code 9012327 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+y,1/2+x,-z y,-x,-z 1/2+x,1/2-y,z -x,-y,z 1/2-y,1/2-x,-z -y,x,-z 1/2-x,1/2+y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Bi 0.02000 0.25000 0.25000 0.05699 O1 -0.23000 0.27000 0.00000 0.05699 O2 -0.23000 0.27000 0.50000 0.05699 O3 0.00000 0.50000 0.00000 0.05699 O4 0.00000 0.00000 0.50000 0.05699