data_global _chemical_name_mineral 'Sanidine' loop_ _publ_author_name 'Ackermann S' 'Kunz M' 'Armbruster T' 'Schefer J' 'Hanni H' _journal_name_full 'Schweizerische Mineralogische und Petrographische Mitteilungen' _journal_volume 84 _journal_year 2004 _journal_page_first 345 _journal_page_last 354 _publ_section_title ; Cation distribution in a Fe-bearing K-feldspar from Itrongay, Madagascar: A combined neutron- and X-ray single-crystal diffraction study Note: Combined X-Ray, Neutron diffraction data, cell parameters from X-Ray data ; _database_code_amcsd 0020557 _chemical_compound_source 'Itrongay, Madagascar' _chemical_formula_sum '(K.895 Na.105) Si3.06 Al.9 Fe.04 O8' _cell_length_a 8.5832 _cell_length_b 13.0076 _cell_length_c 7.1943 _cell_angle_alpha 90 _cell_angle_beta 116.023 _cell_angle_gamma 90 _cell_volume 721.789 _exptl_crystal_density_diffrn 2.557 _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 K1M 0.21471 0.50000 0.86190 0.89500 0.02700 Na1M 0.21471 0.50000 0.86190 0.10500 0.02700 SiT1 0.99057 0.18506 0.77623 0.65000 0.01070 AlT1 0.99057 0.18506 0.77623 0.33000 0.01070 FeT1 0.99057 0.18506 0.77623 0.02000 0.01070 SiT2 0.20953 0.38208 0.34432 0.88000 0.01050 AlT2 0.20953 0.38208 0.34432 0.12000 0.01050 O1 0.13820 0.50000 0.28500 1.00000 0.02070 O2 0.31989 0.37375 0.59434 1.00000 0.02010 O3 0.00000 0.14652 0.00000 1.00000 0.02100 O4 0.03536 0.31106 0.25850 1.00000 0.01930 O5 0.17230 0.14693 0.77260 1.00000 0.02520 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 0.01770 0.03340 0.02700 0.00000 0.00700 0.00000 Na1M 0.01770 0.03340 0.02700 0.00000 0.00700 0.00000 SiT1 0.01140 0.01180 0.00920 0.00220 0.00470 0.00110 AlT1 0.01140 0.01180 0.00920 0.00220 0.00470 0.00110 FeT1 0.01140 0.01180 0.00920 0.00220 0.00470 0.00110 SiT2 0.01100 0.00930 0.01070 0.00020 0.00420 -0.00010 AlT2 0.01100 0.00930 0.01070 0.00020 0.00420 -0.00010 O1 0.02060 0.01360 0.02050 0.00000 0.00210 0.00000 O2 0.02210 0.02100 0.01160 0.00230 0.00220 0.00170 O3 0.02490 0.02110 0.01730 0.00000 0.00930 0.00000 O4 0.01840 0.01800 0.01950 -0.00270 0.00630 -0.00330 O5 0.02310 0.03280 0.02440 0.00440 0.01460 -0.00070