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 San40, cation-exchanged sanidine ; _database_code_amcsd 0020554 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Na.58 K.4 Ba.02) (Si2.96 Al1.04) O8' _cell_length_a 8.3463 _cell_length_b 12.9877 _cell_length_c 7.1683 _cell_angle_alpha 90 _cell_angle_beta 116.180 _cell_angle_gamma 90 _cell_volume 697.324 _exptl_crystal_density_diffrn 2.580 _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 Na 0.77698 0.50000 0.13650 0.58000 0.04210 K 0.77698 0.50000 0.13650 0.40000 0.04210 Ba 0.77698 0.50000 0.13650 0.02000 0.04210 SiT1 0.50803 0.32001 0.22330 0.71000 0.01438 AlT1 0.50803 0.32001 0.22330 0.29000 0.01438 SiT2 0.19761 0.38344 0.34224 0.77000 0.01415 AlT2 0.19761 0.38344 0.34224 0.23000 0.01415 OA1 0.50000 0.35900 0.00000 1.00000 0.02580 OA2 0.11220 0.50000 0.28520 1.00000 0.02410 OB 0.32410 0.36280 0.22640 1.00000 0.02830 OC 0.52530 0.19402 0.25370 1.00000 0.02290 OD 0.68760 0.37505 0.40560 1.00000 0.02360 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 Na 0.02150 0.05670 0.04240 0.00000 0.00890 0.00000 K 0.02150 0.05670 0.04240 0.00000 0.00890 0.00000 Ba 0.02150 0.05670 0.04240 0.00000 0.00890 0.00000 SiT1 0.01760 0.01480 0.01150 0.00240 0.00720 0.00050 AlT1 0.01760 0.01480 0.01150 0.00240 0.00720 0.00050 SiT2 0.01680 0.01130 0.01400 0.00040 0.00650 0.00000 AlT2 0.01680 0.01130 0.01400 0.00040 0.00650 0.00000 OA1 0.03590 0.02430 0.02040 0.00000 0.01540 0.00000 OA2 0.02630 0.01520 0.02570 0.00000 0.00690 0.00000 OB 0.02640 0.03390 0.02950 0.00400 0.01690 -0.00080 OC 0.02250 0.01880 0.02500 0.00160 0.00830 0.00210 OD 0.02540 0.02330 0.01740 -0.00150 0.00520 -0.00240