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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008163.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_1008163
_chemical_name_systematic          'Trilead vanadate - !-alpha'
_chemical_formula_structural       'Pb3 V2 O8'
_chemical_formula_sum              'O8 Pb3 V2'
_publ_section_title
;
Etude des Phases Ferroelastiques de Pb~3~ V~2~ O~8~: Determination de
la Maille Cristalline de la Phase $-alpha Ferroelectrique Basse
Temperature
;
loop_
_publ_author_name
  'Garnier, P'
  'Calvarin, G'
  'Berar, J F'
  'Weigel, D'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    19
_journal_year                      1984
_journal_page_first                407
_journal_page_last                 414
_cell_length_a                     7.460(1)
_cell_length_b                     6.191(1)
_cell_length_c                     9.348(1)
_cell_angle_alpha                  90
_cell_angle_beta                   116.63(1)
_cell_angle_gamma                  90
_cell_volume                       385.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'A 1 2 1'
_symmetry_Int_Tables_number        5
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  'x,1/2+y,1/2+z'
  '-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  V5+    5.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Pb1   Pb2+   2 a 0. 0. 0. 1.  0 d
  Pb2   Pb2+   4 c 0.387(1) 0.551(2) 0.281(2) 1.  0 d
  V1    V5+    4 c 0.210(5) 0.024(10) 0.409(5) 1.  0 d
  O1    O2-    4 c 0.252(15) 0.309(14) 0.057(11) 1.  0 d
  O2    O2-    4 c 0.270(13) 0.703(14) 0.018(9) 1.  0 d
  O3    O2-    4 c 0.307(11) 0.951(10) 0.291(9) 1.  0 d
  O4    O2-    4 c 0.041(8) 0.484(12) 0.237(7) 1.  0 d
_refine_ls_R_factor_all            0.04
_cod_database_code 1008163