#------------------------------------------------------------------------------ #$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176465 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011110.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_9011110 loop_ _publ_author_name 'Galy, J.' 'Meunier, G.' _publ_section_title ; A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure cristalline de UTe3O9 Locality: synthetic Sample: T = 700 C ; _journal_name_full 'Acta Crystallographica, Section B' _journal_page_first 608 _journal_page_last 616 _journal_paper_doi 10.1107/S0567740871002632 _journal_volume 27 _journal_year 1971 _chemical_formula_sum 'O9 Te3 U' _chemical_name_mineral Cliffordite _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 11.370 _cell_length_b 11.370 _cell_length_c 11.370 _cell_volume 1469.878 _diffrn_ambient_temperature 973.15 _exptl_crystal_density_diffrn 6.912 _cod_original_sg_symbol_H-M 'P a 3' _cod_original_formula_sum 'U Te3 O9' _cod_database_code 9011110 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+z,x,1/2-y z,1/2-x,1/2+y 1/2-z,1/2+x,y -z,-x,-y 1/2+y,1/2-z,-x 1/2-y,-z,1/2+x -y,1/2+z,1/2-x y,z,x x,1/2-y,1/2+z 1/2-x,1/2+y,z 1/2+x,y,1/2-z -x,-y,-z 1/2-z,-x,1/2+y -z,1/2+x,1/2-y 1/2+z,1/2-x,-y z,x,y 1/2-y,1/2+z,x 1/2+y,z,1/2-x y,1/2-z,1/2+x -y,-z,-x -x,1/2+y,1/2-z 1/2+x,1/2-y,-z 1/2-x,-y,1/2+z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv U1 0.00000 0.00000 0.00000 0.00722 U2 0.50000 0.50000 0.50000 0.00735 Te 0.26360 0.28450 0.04740 0.00608 O1 0.17800 0.40800 0.09200 0.00418 O2 0.34800 0.10600 0.41900 0.00608 O3 0.10400 0.10400 0.10400 0.01482 O4 0.60000 0.60000 0.60000 0.00595 O5 0.22100 0.22100 0.22100 0.00937