data_global _chemical_name_mineral 'Jadeite' loop_ _publ_author_name 'Knight K S' 'Price G D' _journal_name_full 'The Canadian Mineralogist' _journal_volume 46 _journal_year 2008 _journal_page_first 1593 _journal_page_last 1622 _publ_section_title ; Powder neutron-diffraction studies of clinopyroxenes. I. The crystal structure and thermoelastic properties of jadeite between 1.5 and 270 K Note: T = 203.6 K ; _database_code_amcsd 0006264 _chemical_compound_source 'Hweka and Mamon mining district, Burma' _chemical_formula_sum 'Na Al Si2 O6' _cell_length_a 9.42012 _cell_length_b 8.56099 _cell_length_c 5.22221 _cell_angle_alpha 90 _cell_angle_beta 107.5709 _cell_angle_gamma 90 _cell_volume 401.499 _exptl_crystal_density_diffrn 3.344 _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 Na 0.00000 0.30120 0.25000 0.00870 Al 0.00000 0.90670 0.25000 0.00280 Si 0.29093 0.09338 0.22790 0.00206 O1 0.10913 0.07591 0.12817 0.00414 O2 0.36077 0.26320 0.29312 0.00463 O3 0.35379 0.00750 0.00621 0.00428