#------------------------------------------------------------------------------ #$Date: 2015-07-12 19:08:43 +0300 (Sun, 12 Jul 2015) $ #$Revision: 147356 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/62/1526219.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1526219 loop_ _publ_author_name 'Gurbanova, O.A.' 'Rastsvetaeva, R.K.' 'Chukanov, N.V.' _publ_section_title ; Crystal structure of a new member of the brackebushite group Pb2 Fe (V O4)2 (O H) ; _journal_name_full 'Doklady Akad. Nauk' _journal_page_first 204 _journal_page_last 207 _journal_volume 378 _journal_year 2001 _chemical_formula_sum 'Al0.1 Fe0.75 H Mn0.15 O9 Pb1.8 V2 Zn0.2' _chemical_name_systematic '(Pb1.8 Zn0.2) (Mn0.15 Al0.1 Fe0.75) (V O4)2 (O H)' _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 111.1 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.782 _cell_length_b 6.148 _cell_length_c 7.628 _cell_volume 384.236 _citation_journal_id_ASTM DAKNEQ _cod_data_source_file Gurbanova_DAKNEQ_2001_1038.cif _cod_data_source_block H1Al0.1Fe0.75Mn0.15O9Pb1.8V2Zn0.2 _cod_original_cell_volume 384.2359 _cod_chemical_formula_sum_orig 'H1 Al0.1 Fe0.75 Mn0.15 O9 Pb1.8 V2 Zn0.2' _cod_database_code 1526219 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z -x,-y,-z x,-y-1/2,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv V1 V+5 0.8267 0.75 0.5543 1 0.0 O7 O-2 0.071 0.75 0.17 1 0.0 O6 O-2 0.536 0.75 0.076 1 0.0 Pb1 Pb+2 0.4028 0.75 0.3271 0.8 0.0 O4 O-2 0.551 0.75 0.733 1 0.0 O3 O-2 0.937 0.75 0.795 1 0.0 Pb2 Pb+2 0.2504 0.75 0.7346 1 0.0 O1 O-2 0.7 0.973 0.494 1 0.0 O5 O-2 0.216 0.016 -0.011 1 0.0 O2 O-2 0.958 0.75 0.45 1 0.0 Al1 Al+3 0 0 0 0.1 0.0 Zn1 Zn+2 0.4028 0.75 0.3271 0.2 0.0 Mn1 Mn+3 0 0 0 0.15 0.0 Fe1 Fe+3 0 0 0 0.75 0.0 V2 V+5 0.6648 0.75 0.9588 1 0.0