#------------------------------------------------------------------------------ #$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $ #$Revision: 1071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9011090.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9011090 loop_ _publ_author_name 'Smuts, J.' 'Steyn, J. G. D.' 'Boeyens, J. C. A.' _publ_section_title ; The crystal structure of an iron silicate, iscorite ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 1251 _journal_page_last 1255 _journal_volume 25 _journal_year 1969 _chemical_formula_sum 'Fe7 O10 Si' _chemical_name_mineral Fe7SiO10 _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90 _cell_angle_beta 98 _cell_angle_gamma 90 _cell_length_a 21.4 _cell_length_b 3.06 _cell_length_c 5.88 _cell_volume 381.299 _exptl_crystal_density_diffrn 5.043 _[local]_cod_data_source_file cifdata.txt _[local]_cod_data_source_block 'global_8884' _[local]_cod_chemical_formula_sum_orig 'Fe7 Si O10' _cod_database_code 9011090 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2-y,z -x,1/2+y,-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 Fe2+1 0.05530 0.75000 0.14160 0.00950 Fe2+2 0.05320 0.75000 0.66210 0.00925 Fe2+3 0.15990 0.25000 0.45760 0.01406 Fe2+4 0.44450 0.75000 0.35530 0.00963 Fe2+5 0.44710 0.75000 0.84210 0.01127 Fe3+1 0.19310 0.75000 0.97430 0.01330 Fe3+2 0.33450 0.25000 0.03780 0.00963 Si 0.30180 0.75000 0.52510 0.00089 O1 0.04970 0.25000 0.40910 0.00811 O2 0.03900 0.25000 0.88270 0.01089 O3 0.14690 0.75000 0.20250 0.01672 O4 0.14690 0.75000 0.69510 0.03686 O5 0.23420 0.25000 0.01260 0.07016 O6 0.26250 0.25000 0.50740 0.00076 O7 0.34980 0.75000 0.29180 0.03154 O8 0.34310 0.75000 0.80880 0.02305 O9 0.45420 0.25000 0.10580 0.01672 O10 0.45620 0.25000 0.60020 0.02254