#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/9/9008418.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_9008418 _chemical_name 'Downeyite' loop_ _publ_author_name 'Stahl K' 'Legros J P' 'Galy' _journal_name_full "Zeitschrift fur Kristallographie" _journal_volume 202 _journal_year 1992 _journal_page_first 99 _journal_page_last 107 _publ_section_title ; The crystal structure of SeO2 at 139 and 286 K Note: T = 286 K Locality: synthetic ; _chemical_formula_sum 'Se O2' _cell_length_a 8.3622 _cell_length_b 8.3622 _cell_length_c 5.0612 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 353.911 _symmetry_space_group_name_H-M 'P 42/m b c' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' 'y,-x,1/2-z' '-y,x,1/2+z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,x,1/2-z' 'y,-x,1/2+z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Se 0.13374 0.21019 0.00000 0.01203 O1 0.13802 0.36198 0.25000 0.01710 O2 -0.05710 0.17507 0.00000 0.02064