data_global _chemical_name_mineral 'Jadeite' loop_ _publ_author_name 'McCarthy A C' 'Downs R T' 'Thompson R M' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 198 _journal_page_last 209 _publ_section_title ; Compressibility trends of the clinopyroxenes, and in-situ high-pressure single-crystal X-ray diffraction study of jadeite Sample: P = 7.83 GPa ; _database_code_amcsd 0004511 _chemical_compound_source 'Clear Creek, San Benito County, California' _chemical_formula_sum 'Na Al Si2 O6' _cell_length_a 9.2455 _cell_length_b 8.4137 _cell_length_c 5.1269 _cell_angle_alpha 90 _cell_angle_beta 106.910 _cell_angle_gamma 90 _cell_volume 381.572 _exptl_crystal_density_diffrn 3.519 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-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 NaM2 0.00000 0.30390 0.25000 0.01431 AlM1 0.00000 0.90750 0.25000 0.00785 Si 0.29130 0.09480 0.22910 0.00823 O1 0.10850 0.07890 0.12930 0.00747 O2 0.36020 0.26720 0.30240 0.01089 O3 0.35700 0.01480 0.00160 0.00925