#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/17/9011799.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_9011799 loop_ _publ_author_name 'Knight, K. S.' _publ_section_title ; The crystal structure of russellite; a re-determination using neutron powder diffraction of synthetic Bi2WO6 ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 399 _journal_page_last 409 _journal_paper_doi 10.1180/minmag.1992.056.384.13 _journal_volume 56 _journal_year 1992 _chemical_compound_source Synthetic _chemical_formula_sum 'Bi2 O6 W' _chemical_name_mineral Russellite _space_group_IT_number 29 _symmetry_space_group_name_Hall 'P 2c -2ac' _symmetry_space_group_name_H-M 'P c a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.43726 _cell_length_b 16.43018 _cell_length_c 5.45842 _cell_volume 487.629 _database_code_amcsd 0014496 _exptl_crystal_density_diffrn 9.505 _cod_original_formula_sum 'Bi2 W O6' _cod_database_code 9011799 loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,-y,z 1/2-x,y,1/2+z -x,-y,1/2+z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Bi1 0.52055 0.42238 0.97608 0.00552 Bi2 0.48240 0.07712 0.97956 0.00754 W 0.00706 0.24948 0.00000 0.00201 O1 0.05787 0.14016 0.07680 0.01079 O2 0.25969 0.99942 0.26347 0.00870 O3 0.24029 0.50056 0.25763 0.00503 O4 0.70587 0.23237 0.25069 0.00995 O5 0.21308 0.26392 0.33079 0.01212 O6 0.56157 0.35984 0.56183 0.00873 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0014496