#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9001578.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_9001578 _chemical_name 'Cristobalite' loop_ _publ_author_name 'Downs R T' 'Palmer D C' _journal_name_full "American Mineralogist" _journal_volume 79 _journal_year 1994 _journal_page_first 9 _journal_page_last 14 _publ_section_title ; The pressure behavior of alpha cristobalite P = room pressure ; _chemical_formula_sum 'Si O2' _cell_length_a 4.9717 _cell_length_b 4.9717 _cell_length_c 6.9223 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 171.104 _symmetry_space_group_name_H-M 'P 41 21 2' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,x,-z' '1/2-y,1/2+x,1/4+z' '1/2-x,1/2+y,1/4-z' '-x,-y,1/2+z' '-y,-x,1/2-z' '1/2+y,1/2-x,3/4+z' '1/2+x,1/2-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si 0.30028 0.30028 0.00000 O 0.23920 0.10440 0.17870