data_global _chemical_name_mineral 'Sanidine' 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: Sample San100 ; _database_code_amcsd 0020555 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(K.98 Ba.02) (Si3 Al) O8' _cell_length_a 8.6032 _cell_length_b 13.0237 _cell_length_c 7.1885 _cell_angle_alpha 90 _cell_angle_beta 115.9940 _cell_angle_gamma 90 _cell_volume 723.961 _exptl_crystal_density_diffrn 2.572 _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 0.28605 0.00000 0.13764 0.98000 0.02706 Ba 0.28605 0.00000 0.13764 0.02000 0.02706 SiT1 0.00973 0.18543 0.22374 0.69000 0.01068 AlT1A 0.00973 0.18543 0.22374 0.31000 0.01068 SiT2 0.71030 0.11806 0.34448 0.81000 0.01025 AlT2A 0.71030 0.11806 0.34448 0.19000 0.01025 OA1 0.00000 0.14684 0.00000 1.00000 0.01980 OA2 0.63930 0.00000 0.28470 1.00000 0.02040 OB 0.82872 0.14756 0.22692 1.00000 0.02400 OC 0.03537 0.31085 0.25818 1.00000 0.01890 OD 0.17968 0.12660 0.40447 1.00000 0.01950 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 0.01710 0.03370 0.02740 0.00000 0.00702 0.00000 Ba 0.01710 0.03370 0.02740 0.00000 0.00702 0.00000 SiT1 0.01119 0.01180 0.00906 -0.00210 0.00442 -0.00093 AlT1A 0.01119 0.01180 0.00906 -0.00210 0.00442 -0.00093 SiT2 0.01014 0.00933 0.01045 -0.00049 0.00377 -0.00005 AlT2A 0.01014 0.00933 0.01045 -0.00049 0.00377 -0.00005 OA1 0.02510 0.01910 0.01650 0.00000 0.01050 0.00000 OA2 0.01760 0.01370 0.02370 0.00000 0.00340 0.00000 OB 0.02020 0.03130 0.02400 -0.00460 0.01300 0.00040 OC 0.01650 0.01700 0.02130 -0.00150 0.00650 -0.00200 OD 0.02020 0.02040 0.01370 0.00210 0.00360 0.00170