#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9001579.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_9001579 _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 = 0.19 GPa ; _chemical_formula_sum 'Si O2' _cell_length_a 4.9501 _cell_length_b 4.9501 _cell_length_c 6.8760 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 168.486 _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 _atom_site_Uiso_or_equiv Si 0.30270 0.30270 0.00000 0.01013 O 0.23880 0.10860 0.18170 0.01545