data_global _chemical_name_mineral 'Orthoclase' loop_ _publ_author_name 'Gering E' _journal_name_full 'Dissertation Kernforshungszentrum Karlsruhe' _journal_volume 1 _journal_year 1985 _journal_page_first 1 _journal_page_last 97 _publ_section_title ; Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample ORMA, X-Ray diffraction ; _database_code_amcsd 0020546 _chemical_compound_source 'Madagascar' _chemical_formula_sum 'K (Si3 Al) O8' _cell_length_a 8.578 _cell_length_b 12.978 _cell_length_c 7.204 _cell_angle_alpha 90 _cell_angle_beta 116.02 _cell_angle_gamma 90 _cell_volume 720.699 _exptl_crystal_density_diffrn 2.565 _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 K1M 0.28542 0.00000 0.13794 1.00000 SiT1 0.00941 0.18486 0.22426 0.58800 AlT1 0.00941 0.18486 0.22426 0.41200 SiT2 0.20920 0.38228 0.34453 0.91200 AlT2 0.20920 0.38228 0.34453 0.08800 Oa1 0.00000 0.14566 0.00000 1.00000 Oa2 0.63855 0.00000 0.28559 1.00000 Ob 0.82650 0.14642 0.22747 1.00000 Oc 0.03523 0.31194 0.25940 1.00000 Od 0.18093 0.12581 0.40759 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 K1M 0.01930 0.03380 0.02830 0.00000 0.00640 0.00000 SiT1 0.01430 0.01240 0.01090 -0.00230 0.00590 -0.00150 AlT1 0.01430 0.01240 0.01090 -0.00230 0.00590 -0.00150 SiT2 0.01290 0.00980 0.01170 0.00000 0.00490 -0.00040 AlT2 0.01290 0.00980 0.01170 0.00000 0.00490 -0.00040 Oa1 0.02610 0.01910 0.02130 0.00000 0.01060 0.00000 Oa2 0.02210 0.01210 0.02130 0.00000 0.00310 0.00000 Ob 0.02420 0.03090 0.02730 -0.00240 0.01680 0.00210 Oc 0.01810 0.01770 0.02080 -0.00300 0.00620 -0.00310 Od 0.02230 0.01960 0.01320 0.00140 0.00260 0.00150