data_global _amcsd_formula_title '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 = 7.300 GPa ; _database_code_amcsd 0008226 _chemical_formula_sum 'Cr2 Si O4' _cell_length_a 5.6512 _cell_length_b 11.0598 _cell_length_c 9.1910 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 574.448 _exptl_crystal_density_diffrn 4.534 _symmetry_space_group_name_H-M 'F d d d' loop_ _space_group_symop_operation_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_U_iso_or_equiv Cr 0.12500 0.12500 0.48137 0.01115 Si 0.12500 0.12500 0.12500 0.00887 O -0.04250 0.05020 0.23440 0.01216 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cr 0.01035 0.00849 0.01459 -0.00317 0.00000 0.00000 Si 0.00875 0.00799 0.00997 0.00000 0.00000 0.00000 O 0.01128 0.01053 0.01481 -0.00266 0.00139 0.00242