data_global _chemical_name_mineral 'Anorthoclase' loop_ _publ_author_name 'Harlow G E' _journal_name_full 'American Mineralogist' _journal_volume 67 _journal_year 1982 _journal_page_first 975 _journal_page_last 996 _publ_section_title ; The anorthoclase structures: The effects of temperature and composition Kakanui, Or = 13.8, T = 750 deg C feldspar ; _database_code_amcsd 0000879 _chemical_compound_source 'Kakanui, New Zealand' _chemical_formula_sum '(Al Si3) (Na.85 K.15) O8' _cell_length_a 8.321 _cell_length_b 12.969 _cell_length_c 7.148 _cell_angle_alpha 90 _cell_angle_beta 116.05 _cell_angle_gamma 90 _cell_volume 693.013 _exptl_crystal_density_diffrn 2.536 _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 Al1 0.00890 0.17960 0.22400 0.25000 Si1 0.00890 0.17960 0.22400 0.75000 Al2 0.69720 0.11700 0.34370 0.25000 Si2 0.69720 0.11700 0.34370 0.75000 Na 0.28390 0.00000 0.14960 0.85000 K 0.28390 0.00000 0.14960 0.15000 O1 0.00000 0.13780 0.00000 1.00000 O2 0.61150 0.00000 0.28580 1.00000 O3 0.82820 0.13820 0.22880 1.00000 O4 0.03200 0.30300 0.25630 1.00000 O5 0.18500 0.12510 0.41210 1.00000 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 Al1 0.04077 0.04601 0.03405 -0.00540 0.02140 -0.00084 Si1 0.04077 0.04601 0.03405 -0.00540 0.02140 -0.00084 Al2 0.03426 0.03834 0.04220 -0.00147 0.01970 -0.00042 Si2 0.03426 0.03834 0.04220 -0.00147 0.01970 -0.00042 Na 0.03567 0.21047 0.12932 0.00000 0.01702 0.00000 K 0.03567 0.21047 0.12932 0.00000 0.01702 0.00000 O1 0.09258 0.07072 0.05495 0.00000 0.03672 0.00000 O2 0.04105 0.04686 0.10613 0.00000 0.00340 0.00000 O3 0.05974 0.10481 0.08503 -0.01523 0.04913 0.00759 O4 0.07106 0.05453 0.08294 -0.01473 0.03648 -0.00253 O5 0.07531 0.07158 0.05578 0.01130 0.02578 0.00802