#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9005265.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9005265 _chemical_name 'Sanidine' loop_ _publ_author_name 'Kimata M' 'Shimizu M' 'Saito S' _journal_name_full "European Journal of Mineralogy" _journal_volume 8 _journal_year 1996 _journal_page_first 15 _journal_page_last 24 _publ_section_title ; High-temperature crystal structure of sanidine Part II. The crystal structure of sanidine at 935 C Sample: T = 935 C, feldspar ; _chemical_formula_sum 'K.789 Na.16 Ba.014 Fe.003 (Al Si3) O8' _cell_length_a 8.677 _cell_length_b 13.016 _cell_length_c 7.184 _cell_angle_alpha 90 _cell_angle_beta 115.73 _cell_angle_gamma 90 _cell_volume 730.913 _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 0.29050 0.00000 0.14080 0.78900 0.10688 Na 0.29050 0.00000 0.14080 0.16000 0.10688 Ba 0.29050 0.00000 0.14080 0.01400 0.10688 Fe 0.29050 0.00000 0.14080 0.00300 0.10688 AlT1 0.01040 0.18540 0.22440 0.28000 0.03221 SiT1 0.01040 0.18540 0.22440 0.72000 0.03221 AlT2 0.71250 0.11830 0.34630 0.22000 0.03090 SiT2 0.71250 0.11830 0.34630 0.78000 0.03090 OA1 0.00000 0.14780 0.00000 1.00000 0.05614 OA2 0.63980 0.00000 0.28550 1.00000 0.05227 OB 0.83070 0.14830 0.22940 1.00000 0.06572 OC 0.03750 0.31000 0.26240 1.00000 0.05221 OD 0.17710 0.12570 0.40400 1.00000 0.06010