data_9009662 _chemical_name 'Sanidine' loop_ _publ_author_name 'Gualtieri A F' _journal_name_full "Journal of Applied Crystallography" _journal_volume 33 _journal_year 2000 _journal_page_first 267 _journal_page_last 278 _publ_section_title ; Accuracy of XRPD QPA using the combined Rietveld-RIR method Locality: Latera, Viterbo, Italy ; _chemical_formula_sum 'K (Al Si3) O8' _cell_length_a 8.53573 _cell_length_b 13.03129 _cell_length_c 7.17536 _cell_angle_alpha 90 _cell_angle_beta 115.9855 _cell_angle_gamma 90 _cell_volume 717.440 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _symmetry_equiv_pos_as_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_Uiso_or_equiv K 0.28400 0.00000 0.13710 1.00000 0.02700 Al1 0.00930 0.18440 0.22380 0.25000 0.01000 Si1 0.00930 0.18440 0.22380 0.75000 0.01000 Al2 0.70760 0.11770 0.34430 0.25000 0.01100 Si2 0.70760 0.11770 0.34430 0.75000 0.01100 O1 0.00000 0.14610 0.00000 1.00000 0.02300 O2 0.63400 0.00000 0.28550 1.00000 0.01900 O3 0.82770 0.14540 0.22780 1.00000 0.02000 O4 0.03380 0.30980 0.25770 1.00000 0.02500 O5 0.18120 0.12640 0.40520 1.00000 0.02400