#------------------------------------------------------------------------------ #$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $ #$Revision: 120115 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015044.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_9015044 loop_ _publ_author_name 'Mentre, O.' 'Huve, M.' 'Abraham, F.' _publ_section_title ; Bidimensional cationic ordering and thermal dependence in beta- Pb(x)V2O5 bronzes _cod_database_code 1004147 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 186 _journal_page_last 196 _journal_volume 145 _journal_year 1999 _chemical_formula_sum 'O15 Pb0.902 V6' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 109.29 _cell_angle_gamma 90 _cell_length_a 15.478 _cell_length_b 3.644 _cell_length_c 10.123 _cell_volume 538.902 _database_code_amcsd 0013975 _exptl_crystal_density_diffrn 4.514 _[local]_cod_chemical_formula_sum_orig 'Pb.902 V6 O15' _cod_original_cell_volume 538.901 _cod_database_code 9015044 _amcsd_formula_title 'O5 Pb0.3 V2' loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2+y,z x,-y,z 1/2+x,1/2-y,z -x,y,-z 1/2-x,1/2+y,-z -x,-y,-z 1/2-x,1/2-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb1 0.00433 0.00000 0.39454 0.45100 V1 0.33531 0.00000 0.09820 1.00000 V2 0.11721 0.00000 0.11570 1.00000 V3 0.28448 0.00000 0.40810 1.00000 O1 0.00000 0.00000 0.00000 1.00000 O2 0.81330 0.00000 0.05040 1.00000 O3 0.63370 0.00000 0.07760 1.00000 O4 0.43510 0.00000 0.21610 1.00000 O5 0.26290 0.00000 0.22190 1.00000 O6 0.10960 0.00000 0.27280 1.00000 O7 0.75640 0.00000 0.42450 1.00000 O8 0.39440 0.00000 0.46990 1.00000 _journal_paper_doi 10.1006/jssc.1999.8241