#------------------------------------------------------------------------------ #$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176465 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/60/9016075.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_9016075 loop_ _publ_author_name 'Vannier, R.' 'Mairesse, G.' 'Nowogrocki, G.' 'Abraham, F.' 'Boivin, J.' _publ_section_title ; Electrical and structural investigations on a new bismuth lead vanadium oxide solid electrolyte _cod_database_code 1004097 ; _journal_name_full 'Solid State Ionics' _journal_page_first 713 _journal_page_last 722 _journal_volume 53 _journal_year 1992 _chemical_formula_sum 'Bi0.95 O2.65 Pb0.1 V0.45' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.965 _cell_length_b 3.965 _cell_length_c 15.46 _cell_volume 243.050 _database_code_amcsd 0015510 _exptl_crystal_density_diffrn 7.779 _cod_original_formula_sum 'Bi.95 Pb.1 V.45 O2.65' _cod_database_code 9016075 _amcsd_formula_title 'Bi1.9 O5.3 Pb0.2 V0.9' loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2+y,1/2+z -y,-x,z 1/2-y,1/2-x,1/2+z y,x,-z 1/2+y,1/2+x,1/2-z y,-x,-z 1/2+y,1/2-x,1/2-z -y,x,z 1/2-y,1/2+x,1/2+z x,-y,z 1/2+x,1/2-y,1/2+z -x,y,-z 1/2-x,1/2+y,1/2-z x,y,-z 1/2+x,1/2+y,1/2-z -x,-y,z 1/2-x,1/2-y,1/2+z y,x,z 1/2+y,1/2+x,1/2+z -y,-x,-z 1/2-y,1/2-x,1/2-z -y,x,-z 1/2-y,1/2+x,1/2-z y,-x,z 1/2+y,1/2-x,1/2+z -x,y,z 1/2-x,1/2+y,1/2+z x,-y,-z 1/2+x,1/2-y,1/2-z -x,-y,-z 1/2-x,1/2-y,1/2-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi1 0.03700 0.03700 0.16340 0.11880 Pb1 0.03700 0.03700 0.16340 0.00630 Bi2 0.00000 0.00000 0.17630 0.47500 Pb2 0.00000 0.00000 0.17630 0.02500 V1 0.06100 0.00000 0.51090 0.11250 Pb3 0.06100 0.00000 0.51090 0.01250 O1 0.00000 0.50000 0.25000 1.00000 O2 0.16500 0.00000 0.40800 0.25000 O3 0.41400 0.00000 0.00000 0.32500