#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9006645.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_9006645 _chemical_name 'Cr2SiO4' loop_ _publ_author_name 'Miletich R' 'Nowak M' 'Seifert F' 'Angel R J' 'Brandstatter G' _journal_name_full "Physics and Chemistry of Minerals" _journal_volume 26 _journal_year 1999 _journal_page_first 446 _journal_page_last 459 _publ_section_title ; High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. A single-crystal X-ray diffraction and electronic absorption spectroscopy study Sample: P = 9.220 GPa ; _chemical_formula_sum 'Cr2 Si O4' _cell_length_a 5.6374 _cell_length_b 11.0375 _cell_length_c 9.1192 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 567.422 _symmetry_space_group_name_H-M 'F d d d' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '3/4+x,-y,3/4+z' '3/4+x,1/2-y,1/4+z' '1/4+x,-y,1/4+z' '1/4+x,1/2-y,3/4+z' '3/4-x,y,3/4-z' '3/4-x,1/2+y,1/4-z' '1/4-x,y,1/4-z' '1/4-x,1/2+y,3/4-z' '-x,3/4+y,3/4+z' '-x,1/4+y,1/4+z' '1/2-x,3/4+y,1/4+z' '1/2-x,1/4+y,3/4+z' 'x,3/4-y,3/4-z' 'x,1/4-y,1/4-z' '1/2+x,3/4-y,1/4-z' '1/2+x,1/4-y,3/4-z' '3/4+x,3/4+y,-z' '3/4+x,1/4+y,1/2-z' '1/4+x,3/4+y,1/2-z' '1/4+x,1/4+y,-z' '3/4-x,3/4-y,z' '3/4-x,1/4-y,1/2+z' '1/4-x,3/4-y,1/2+z' '1/4-x,1/4-y,z' '-x,-y,-z' '-x,1/2-y,1/2-z' '1/2-x,-y,1/2-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv Cr 0.12500 0.12500 0.48168 0.01039 Si 0.12500 0.12500 0.12500 0.00899 O -0.04170 0.04940 0.23560 0.01191