data_global _chemical_name_mineral 'Orthoclase' loop_ _publ_author_name 'Angel R J' 'Ross N L' 'Zhao J' 'Sochalski-Kolbus L' 'Kruger H' 'Schmidt B C' _journal_name_full 'European Journal of Mineralogy' _journal_volume 25 _journal_year 2013 _journal_page_first 597 _journal_page_last 614 _publ_section_title ; Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Gemini RT Data, Sample H003 ; _database_code_amcsd 0020540 _chemical_compound_source 'Unknown' _chemical_formula_sum '(K.92 Na.08) (Si3 Al) O8' _cell_length_a 8.5739 _cell_length_b 12.9874 _cell_length_c 7.2018 _cell_angle_alpha 90 _cell_angle_beta 116.042 _cell_angle_gamma 90 _cell_volume 720.521 _exptl_crystal_density_diffrn 2.554 _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 _atom_site_U_iso_or_equiv K 0.28459 0.00000 0.13815 0.92000 0.02791 Na 0.28459 0.00000 0.13815 0.08000 0.02791 SiT1 0.00935 0.18474 0.22409 0.62000 0.01086 AlT1A 0.00935 0.18474 0.22409 0.38000 0.01086 SiT2 0.70899 0.11770 0.34449 0.88000 0.01088 AlT2A 0.70899 0.11770 0.34449 0.12000 0.01088 OA1 0.00000 0.14592 0.00000 1.00000 0.02110 OA2 0.63753 0.00000 0.28520 1.00000 0.02080 OB 0.82646 0.14651 0.22738 1.00000 0.02490 OC 0.03505 0.31153 0.25924 1.00000 0.01910 OD 0.18100 0.12582 0.40703 1.00000 0.01960 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 K 0.01850 0.03360 0.02810 0.00000 0.00699 0.00000 Na 0.01850 0.03360 0.02810 0.00000 0.00699 0.00000 SiT1 0.01133 0.01162 0.00984 -0.00226 0.00484 -0.00138 AlT1A 0.01133 0.01162 0.00984 -0.00226 0.00484 -0.00138 SiT2 0.01070 0.00972 0.01153 -0.00010 0.00424 0.00038 AlT2A 0.01070 0.00972 0.01153 -0.00010 0.00424 0.00038 OA1 0.02410 0.01960 0.02070 0.00000 0.01080 0.00000 OA2 0.02020 0.01280 0.02230 0.00000 0.00270 0.00000 OB 0.02160 0.03170 0.02700 -0.00260 0.01580 0.00200 OC 0.01610 0.01770 0.02140 -0.00250 0.00630 -0.00310 OD 0.02040 0.01980 0.01310 0.00170 0.00230 0.00130