data_global _chemical_name_mineral 'Jadeite' loop_ _publ_author_name 'Posner E S' 'Dera P' 'Downs R T' 'Lazarz J D' 'Irmen P' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 41 _journal_year 2014 _journal_page_first 695 _journal_page_last 707 _publ_section_title ; High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 8.2 GPa ; _database_code_amcsd 0020195 _chemical_compound_source 'Clear Creek, San Benito County, California, USA' _chemical_formula_sum 'Na Al Si2 O6' _cell_length_a 9.243 _cell_length_b 8.407 _cell_length_c 5.1220 _cell_angle_alpha 90 _cell_angle_beta 106.85 _cell_angle_gamma 90 _cell_volume 380.922 _exptl_crystal_density_diffrn 3.525 _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 0.30520 0.25000 0.01200 AlM1 0.00000 0.09210 0.75000 0.00700 Si 0.29080 0.09530 0.22930 0.00700 O1 0.10950 0.07880 0.13060 0.00700 O2 0.35870 0.26770 0.30200 0.00900 O3 0.14230 0.48610 -0.00130 0.00700