#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008092.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_1008092
_chemical_name_systematic          'Terbium chromate(V)'
_chemical_formula_structural       'TB CR O4'
_chemical_formula_sum              'Cr O4 Tb'
_publ_section_title
;
Crystallographic and magnetic properties of Tb Cr O~4~ at low
temperature (X-Ray and neutron experiments)
;
loop_
_publ_author_name
  'Buisson, G'
  'Tcheou, F'
  'Sayetat, F'
  'Scheunemann, K'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    18
_journal_year                      1976
_journal_page_first                871
_journal_page_last                 875
_cell_length_a                     7.166
_cell_length_b                     7.166
_cell_length_c                     6.281
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       322.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 41/a m d S'
_symmetry_Int_Tables_number        141
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,1/2+y,1/4-z'
  '-x,1/2-y,1/4-z'
  '-x,y,z'
  'x,-y,z'
  '-x,1/2+y,1/4-z'
  'x,1/2-y,1/4-z'
  'y,x,-z'
  '-y,-x,-z'
  'y,1/2+x,1/4+z'
  '-y,1/2-x,1/4+z'
  '-y,x,-z'
  'y,-x,-z'
  '-y,1/2+x,1/4+z'
  'y,1/2-x,1/4+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,y,3/4-z'
  '1/2-x,-y,3/4-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,3/4-z'
  '1/2+x,-y,3/4-z'
  '1/2+y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,x,3/4+z'
  '1/2-y,-x,3/4+z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,x,3/4+z'
  '1/2+y,-x,3/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Tb3+   3.000
  Cr5+   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
  Tb1   Tb3+   4 a 0. 0. 0. 1.  0 d
  Cr1   Cr5+   4 b 0. 0. 0.5 1.  0 d
  O1    O2-   16 h 0. 0.181(2) 0.327(2) 1.  0 d
_refine_ls_R_factor_all            0.026