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 = 21.5 GPa ; _database_code_amcsd 0020198 _chemical_compound_source 'Clear Creek, San Benito County, California, USA' _chemical_formula_sum 'Na Al Si2 O6' _cell_length_a 9.034 _cell_length_b 8.184 _cell_length_c 4.9875 _cell_angle_alpha 90 _cell_angle_beta 106.02 _cell_angle_gamma 90 _cell_volume 354.427 _exptl_crystal_density_diffrn 3.788 _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 0.30990 0.25000 0.01100 AlM1 0.00000 0.09020 0.75000 0.00600 Si 0.29160 0.09660 0.23270 0.00800 O1 0.10810 0.08200 0.13140 0.00600 O2 0.35960 0.27170 0.31890 0.00800 O3 0.13960 0.47600 0.00670 0.00700