#------------------------------------------------------------------------------ #$Date: 2018-01-14 05:08:55 +0200 (Sun, 14 Jan 2018) $ #$Revision: 205199 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/91/01/5910153.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_5910153 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Pages 231 & 239 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931. ; _journal_name_full 'The second edition of Structure of Crystals' _journal_page_first 231 _journal_page_last 239 _journal_year 1931 _chemical_formula_structural WO2 _chemical_formula_sum 'O2 W' _chemical_name_systematic 'Tungsten dioxide' _space_group_crystal_system tetragonal _space_group_IT_number 136 _space_group_name_Hall '-P 4n 2n' _space_group_name_H-M_alt 'P 42/m n m' _audit_creation_date 2005-03-11 _audit_creation_method ; Pages 231 & 239 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931. ; _audit_update_record 'created by Girish Upreti, Portland State University' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.86 _cell_length_b 4.86 _cell_length_c 2.77 _cell_volume 56.661 _cod_depositor_comments ; Correcting the _cell_length_c value by changing it from '120' to '90' after consulting the original publication. Antanas Vaikus, 2018-01-14 ; _cod_original_formula_sum 'W O2' _cod_database_code 5910153 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -y+1/2,x+1/2,z+1/2 3 -x,-y,z 4 y+1/2,-x+1/2,z+1/2 5 x+1/2,-y+1/2,-z+1/2 6 y,x,-z 7 -x+1/2,y+1/2,-z+1/2 8 -y,-x,-z 9 -x,-y,-z 10 y+1/2,-x+1/2,-z+1/2 11 x,y,-z 12 -y+1/2,x+1/2,-z+1/2 13 -x+1/2,y+1/2,z+1/2 14 -y,-x,z 15 x+1/2,-y+1/2,z+1/2 16 y,x,z loop_ _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_label 0.000000 0.000000 0.000000 W 0.300000 0.300000 0.000000 O loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 ChemSpider 10619276