#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009962.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_9009962 loop_ _publ_author_name 'Pudovkina Z V' 'Chernitsova N M' 'Pyatenko Yu A' _publ_section_title ; Crystal structure refinement of tikhonenkovite Sr2[Al2F8(OH)2]*2H2O ; _journal_name_full 'Journal of Structural Chemistry' _journal_page_first 445 _journal_page_last 448 _journal_volume 14 _journal_year 1973 _chemical_formula_sum 'Al F4 H3 O2 Sr' _[local]_cod_chemical_formula_sum_orig 'Sr Al F4 (O2 H3)' _chemical_name_mineral Tikhonenkovite _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 102.7 _cell_angle_gamma 90 _cell_length_a 5.02 _cell_length_b 10.62 _cell_length_c 8.73 _cell_volume 454.031 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2-y,1/2+z -x,1/2+y,1/2-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sr 0.12640 0.31730 0.55870 0.01900 Al 0.84700 0.02200 0.33900 0.01773 F1 0.52800 0.10000 0.25900 0.02660 F2 0.02400 0.17200 0.32600 0.03040 F3 0.65500 -0.12000 0.34700 0.02913 F4 0.90700 -0.01800 0.14900 0.03293 O-H 0.16300 -0.06200 0.45100 0.01393 Wat 0.57800 0.30500 0.44400 0.02406 _cod_database_code 9009962