#------------------------------------------------------------------------------ #$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $ #$Revision: 1071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9011194.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_9011194 loop_ _publ_author_name 'Loopstra, B. O.' 'Brandenburg, N. P.' _publ_section_title ; Uranyl selenite and uranyl tellurite Locality: synthetic ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 1335 _journal_page_last 1337 _journal_volume 34 _journal_year 1978 _chemical_formula_sum 'O5 Te U' _chemical_name_mineral Schmitterite _space_group_IT_number 57 _symmetry_space_group_name_Hall '-P 2c 2b' _symmetry_space_group_name_H-M 'P b c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.363 _cell_length_b 10.161 _cell_length_c 7.862 _cell_volume 428.427 _exptl_crystal_density_diffrn 6.909 _[local]_cod_data_source_file cifdata.txt _[local]_cod_data_source_block 'global_9108' _[local]_cod_chemical_formula_sum_orig 'U Te O5' _cod_database_code 9011194 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2-y,1/2+z -x,1/2+y,1/2-z -x,1/2+y,z x,1/2-y,-z x,y,1/2-z -x,-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 U 0.96980 0.01490 0.25000 0.00899 Te 0.63400 0.25000 0.50000 0.00849 O1 0.73200 0.21400 0.25000 0.03293 O2 0.85700 0.10500 0.52700 0.01900 O3 0.24400 0.11500 0.25000 0.02786 O4 0.69100 0.91300 0.25000 0.04179