data_global _chemical_name_mineral 'Jadeite' loop_ _publ_author_name 'Nestola F' 'Ballaran T B' 'Liebske C' 'Thompson R' 'Downs R T' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1005 _journal_page_last 1013 _publ_section_title ; The effect of the hedenbergitic substitution on the compressibility of jadeite Sample: Jd100Hd0, P = 0 GPa ; _database_code_amcsd 0004602 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na Al Si2 O6' _cell_length_a 9.4278 _cell_length_b 8.5651 _cell_length_c 5.2262 _cell_angle_alpha 90 _cell_angle_beta 107.624 _cell_angle_gamma 90 _cell_volume 402.208 _exptl_crystal_density_diffrn 3.338 _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 0.30020 0.25000 0.00860 AlM1 0.00000 0.90610 0.25000 0.00490 SiT 0.29020 0.09350 0.22810 0.00450 O1 0.11120 0.07570 0.12930 0.00560 O2 0.36020 0.26340 0.29390 0.00720 O3 0.35340 0.00710 1.00660 0.00750