#------------------------------------------------------------------------------ #$Date$ #$Revision$ #$URL$ #------------------------------------------------------------------------------ # # 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_9010972 loop_ _publ_author_name 'Post, B.' 'Schwartz, R. S.' 'Fankuchen, I.' _publ_section_title ; The crystal structure of sulfur dioxide Sample: T = -130 C ; _journal_name_full 'Acta Crystallographica' _journal_page_first 372 _journal_page_last 374 _journal_volume 5 _journal_year 1952 _chemical_formula_sum 'O2 S' _chemical_name_mineral SO2 _space_group_IT_number 41 _symmetry_space_group_name_Hall 'A 2 -2ab' _symmetry_space_group_name_H-M 'A b a 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.07 _cell_length_b 5.94 _cell_length_c 6.14 _cell_volume 221.383 _[local]_cod_data_source_file 08457.cif _[local]_cod_data_source_block global _[local]_cod_chemical_formula_sum_orig 'S O2' loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2+y,1/2+z 1/2+x,1/2-y,z 1/2+x,-y,1/2+z 1/2-x,1/2+y,z 1/2-x,+y,1/2+z -x,-y,z -x,1/2-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 S 0.00000 0.00000 0.00000 0.03166 O 0.14000 0.15000 0.11800 0.03166