#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011156.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_1011156
_chemical_name_systematic          'Yttrium vanadate'
_chemical_name_mineral             'Wakefieldite (Y)'
_chemical_compound_source          'synthetic at 1273-1373 K for 5 h'
_chemical_formula_structural       'Y (V O4)'
_chemical_formula_sum              'O4 V Y'
_publ_section_title                'Die Kristallstruktur von Yttriumvanadat'
loop_
_publ_author_name                  'Broch, E'
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_coden_ASTM                ZPCBAL
_journal_volume                    20
_journal_year                      1933
_journal_page_first                345
_journal_page_last                 350
_cell_length_a                     7.126
_cell_length_b                     7.126
_cell_length_c                     6.179
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       313.8
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.49
_symmetry_space_group_name_H-M     'I 41/a m d 1'
_symmetry_Int_Tables_number        141
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  'x,-y,z'
  '-x,y,-z'
  '1/2-x,-y,z'
  '1/2+x,y,-z'
  '1/4+y,1/4+x,3/4+z'
  '1/4-y,1/4-x,3/4-z'
  '1/4-y,1/4+x,3/4+z'
  '1/4+y,1/4-x,3/4-z'
  '1/4+y,3/4-x,3/4+z'
  '1/4-y,3/4+x,3/4-z'
  '1/4-y,3/4-x,3/4+z'
  '1/4+y,3/4+x,3/4-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '-x,1/2+y,1/2+z'
  'x,1/2-y,1/2-z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,1/2-y,1/2+z'
  'x,1/2+y,1/2-z'
  '3/4+y,3/4+x,1/4+z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,3/4+x,1/4+z'
  '3/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,1/4+z'
  '3/4-y,1/4+x,1/4-z'
  '3/4-y,1/4-x,1/4+z'
  '3/4+y,1/4+x,1/4-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Y3+    3.000
  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
  Y1    Y3+    4 a 0.75 0. 0.125 1.  0 d
  V1    V5+    4 b 0.75 0. 0.625 1.  0 d
  O1    O2-   16 h 0.75 0.19 0.48 1.  0 d
_cod_database_code 1011156