#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/12/1001257.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_1001257
_chemical_name_systematic
;
Dysprosium hexaoxorhenate(IV) hexaoxorhenate(V)
;
_chemical_formula_structural       'Dy5 Re2 O12'
_chemical_formula_sum              'Dy5 O12 Re2'
_publ_section_title
;
Synthese et etude structurale de l'oxyde double Dy~5~ Re~2~ O~12~
;
loop_
_publ_author_name
  'Baud, G'
  'Besse, J P'
  'Chevalier, R'
  'Gasperin, M'
_journal_name_full                 'Materials Chemistry and Physics'
_journal_coden_ASTM                MCHPDR
_journal_volume                    8
_journal_year                      1983
_journal_page_first                93
_journal_page_last                 99
_cell_length_a                     12.425(8)
_cell_length_b                     7.511(5)
_cell_length_c                     5.653(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  107.8(2)
_cell_volume                       502.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 1 21/m'
_symmetry_Int_Tables_number        11
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  '-x,-y,-z'
  'x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Re4+   4.500
  Dy3+   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
  Re1   Re4+   4 f 0.2451(2) -0.0064(4) 0.0343(5) 0.5  0 d
  Re2   Re4+   4 f 0.2652(11) 0.5135(26) 0.0333(27) 0.5  0 d
  Dy1   Dy3+   2 e 0.2443(4) 0.4975(8) 0.25 0.5  0 d
  Dy2   Dy3+   2 e 0.267(2) 0.0088(44) 0.25 0.5  0 d
  Dy3   Dy3+   2 e 0.5617(3) 0.1736(7) 0.25 1.  0 d
  Dy4   Dy3+   2 e 0.9443(3) 0.3529(7) 0.25 1.  0 d
  Dy5   Dy3+   2 e 0.5572(4) 0.6427(6) 0.25 1.  0 d
  Dy6   Dy3+   2 e 0.9360(4) 0.8380(6) 0.25 1.  0 d
  O1    O2-    4 f 0.4107(31) 0.0751(51) -0.0187(74) 1.  0 d
  O2    O2-    4 f 0.0973(41) 0.4021(68) -0.0464(96) 1.  0 d
  O3    O2-    4 f 0.4036(30) 0.5710(51) 0.0097(73) 1.  0 d
  O4    O2-    4 f 0.0864(35) 0.8965(60) 0.0105(85) 1.  0 d
  O5    O2-    2 e 0.2426(118) 0.1891(191) 0.25 1.  0 d
  O6    O2-    2 e 0.2508(56) 0.7882(89) 0.25 1.  0 d
  O7    O2-    2 e 0.7555(56) 0.8197(92) 0.25 1.  0 d
  O8    O2-    2 e 0.7601(61) 0.16(1) 0.25 1.  0 d
_cod_database_code 1001257