#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9008304.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_9008304 loop_ _publ_author_name 'Tagai T' 'Ried H' 'Joswig W' 'Korekawa M' _publ_section_title ; Kristallographische untersuchungen eines petalits mittels neutronenbeugung und transmissionselektronenmikroskopie Locality: Varutrask, Sweden ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 159 _journal_page_last 170 _journal_volume 160 _journal_year 1982 _chemical_formula_sum 'Al Li O10 Si4' _[local]_cod_chemical_formula_sum_orig 'Li Al Si4 O10' _chemical_name_mineral Petalite _symmetry_space_group_name_H-M 'P 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 112.54 _cell_angle_gamma 90 _cell_length_a 11.737 _cell_length_b 5.171 _cell_length_c 7.630 _cell_volume 427.706 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,y,-z 1/2+x,-y,z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Li 0.25000 0.25530 0.00000 Al 0.25000 0.75640 0.00000 Si1 0.99800 0.51280 0.28960 Si2 0.14770 0.00990 0.28960 O1 0.00000 0.50000 0.50000 O2 0.25000 0.96540 0.50000 O3 0.09380 0.30120 0.27040 O4 0.36170 0.53580 0.13420 O5 0.03810 0.80110 0.25180 O6 0.20760 0.97790 0.13530 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 Li 0.02600 0.00900 0.02200 0.00000 0.00700 0.00000 Al 0.00800 0.00900 0.01000 0.00000 0.00180 0.00000 Si1 0.01040 0.00830 0.00570 -0.00200 0.00300 -0.00100 Si2 0.00940 0.00760 0.00800 -0.00140 0.00380 -0.00170 O1 0.02900 0.03490 0.01050 -0.00090 0.01120 -0.00100 O2 0.01990 0.03010 0.00720 0.00000 -0.00280 0.00000 O3 0.01910 0.01080 0.02530 0.00350 0.01260 -0.00030 O4 0.01180 0.01420 0.01260 0.00290 0.00000 0.00040 O5 0.01340 0.01060 0.02300 -0.00210 0.00520 0.00200 O6 0.01950 0.01170 0.01300 0.00110 -0.01060 -0.00100 _cod_database_code 9008304