#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/86/1008647.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_1008647
_chemical_name_systematic          'Lanthanum vanadate(III)'
_chemical_formula_structural       'La (V O3)'
_chemical_formula_sum              'La O3 V'
_publ_section_title
;
Structural aspects of the crystallographic-magnetic transition in
LaVO~3~ around 140 K
;
loop_
_publ_author_name
  'Bordet, P'
  'Chaillout, C'
  'Marezio, M'
  'Huang, Q'
  'Santoro, A'
  'Cheong, S-W'
  'Takagi, H'
  'Oglesby, C S'
  'Batlogg, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    106
_journal_year                      1993
_journal_page_first                253
_journal_page_last                 270
_cell_length_a                     5.5917(3)
_cell_length_b                     7.7516(4)
_cell_length_c                     5.5623(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90.129(6)
_cell_volume                       241.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 1 21/a'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  V3+    3.000
  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
  La1   La3+   4 e 0.0341(5) 0.25 0.9917(5) 1.  0 d
  V1    V3+    2 c 0.5 0. 0. 1.  0 d
  V2    V3+    2 d 0. 0.5 0.5 1.  0 d
  O1    O2-    4 e 0.4900(7) 0.25 0.0710(6) 1.  0 d
  O2    O2-    4 e 0.2776(12) 0.0381(13) 0.7144(25) 1.  0 d
  O3    O2-    4 e 0.7104(13) 0.5389(13) 0.2833(24) 1.  0 d
_refine_ls_R_factor_all            0.054
_cod_database_code 1008647