#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008164.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_1008164
_chemical_name_systematic          'Trilead vanadate - !-beta'
_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                     7.514(1)
_cell_length_b                     6.107(1)
_cell_length_c                     9.526(1)
_cell_angle_alpha                  90
_cell_angle_beta                   115.20(1)
_cell_angle_gamma                  90
_cell_volume                       395.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-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 e 0.384(1) 0.582(1) 0.288(1) 1.  0 d
  V1    V5+    4 e 0.196(6) 0.234(4) 0.403(5) 1.  0 d
  O1    O2-    4 e 0.274(10) 0.269(11) 0.015(8) 1.  0 d
  O2    O2-    4 e 0.25(1) 0.706(11) 0.003(8) 1.  0 d
  O3    O2-    4 e 0.324(8) 0.96(1) 0.268(8) 1.  0 d
  O4    O2-    4 e 0.058(8) 0.545(8) 0.218(6) 1.  0 d
_refine_ls_R_factor_all            0.045