#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008832.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_1008832
_chemical_name_systematic          'Strontium diterbium diiron(III) oxide'
_chemical_formula_structural       'Sr Tb2 Fe2 O7'
_chemical_formula_sum              'Fe2 O7 Sr Tb2'
_publ_section_title
;
Determination des structures de deux ferrite mixtes nouveaux de formule
Ba La2 Fe2 O7 et Sr Tb2 Fe2 O7
;
loop_
_publ_author_name
  'Samaras, D'
  'Collomb, A'
  'Joubert, J C'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    7
_journal_year                      1973
_journal_page_first                337
_journal_page_last                 348
_cell_length_a                     5.5065
_cell_length_b                     5.5065
_cell_length_c                     19.659
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       596.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 42/m n m'
_symmetry_Int_Tables_number        136
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  'y,x,z'
  '-y,-x,z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Tb3+   3.000
  Fe3+   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
  Sr1   Sr2+   4 f 0.264(2) 0.264(2) 0. 1.  0 d
  Tb1   Tb3+   8 j 0.276(1) 0.276(1) 0.1823(3) 1.  0 d
  Fe1   Fe3+   8 j 0.248(4) 0.248(4) 0.4006(9) 1.  0 d
  O1    O2-    4 g 0.784(16) 0.784(16) 0.5 1.  0 d
  O2    O2-    8 j 0.207(9) 0.207(9) 0.285(3) 1.  0 d
  O3    O2-    8 h 0. 0.5 0.126(4) 1.  0 d
  O4    O2-    4 e 0. 0. 0.108(9) 1.  0 d
  O5    O2-    4 e 0. 0. 0.408(9) 1.  0 d
_refine_ls_R_factor_all            0.02