data_global _chemical_name_mineral 'Orthoclase' loop_ _publ_author_name 'Phillips M W' 'Ribbe P H' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 263 _journal_page_last 270 _publ_section_title ; The structures of monoclinic potassium-rich feldspars Note: variety adularia ; _database_code_amcsd 313 _chemical_compound_source 'St. Gotthard, Switzerland' _chemical_formula_sum '(Si2.98 Al1.02) (K.88 Na.12) O8' _cell_length_a 8.545 _cell_length_b 12.967 _cell_length_c 7.201 _cell_angle_alpha 90.0 _cell_angle_beta 116.0 _cell_angle_gamma 90.0 _cell_volume 717.141 _exptl_crystal_density_diffrn 2.56 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-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_occupancy Si1 0.0093 0.1842 0.2243 0.6 Al1 0.0093 0.1842 0.2243 0.4 Si2 0.7078 0.1176 0.3445 0.89 Al2 0.7078 0.1176 0.3445 0.11 K 0.2834 0.0 0.1372 0.88 Na 0.2834 0.0 0.1372 0.12 OA(1) 0.0 0.1447 0.0 1.0 OA(2) 0.6339 0.0 0.2848 1.0 OB 0.8262 0.1449 0.228 1.0 OC 0.0339 0.3117 0.2585 1.0 OD 0.1821 0.1257 0.407 1.0 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Si1 0.01225 0.01107 0.01061 -0.00151 0.00554 -0.00128 Al1 0.01225 0.01107 0.01061 -0.00151 0.00554 -0.00128 Si2 0.00986 0.00767 0.0104 0.0 0.00453 0.00085 Al2 0.00986 0.00767 0.0104 0.0 0.00453 0.00085 K 0.01942 0.03067 0.02716 0.0 0.00755 0.0 Na 0.01942 0.03067 0.02716 0.0 0.00755 0.0 OA(1) 0.0242 0.01789 0.0244 0.0 0.01234 0.0 OA(2) 0.01942 0.01193 0.02037 0.0 0.00428 0.0 OB 0.02301 0.02811 0.02653 -0.00252 0.01586 0.00085 OC 0.01703 0.01533 0.02016 -0.00303 0.00655 -0.00255 OD 0.02062 0.01704 0.01507 0.0005 0.00478 0.0017