#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/24/2002451.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_2002451
_chemical_name_systematic          'Zinc tantalate antimonate (1/1.8/0.2)'
_chemical_formula_structural       'Zn (Ta1.8 Sb0.2) O6'
_chemical_formula_sum            'O6 Sb0.2 Ta1.8 Zn'
_[local]_cod_chemical_formula_sum_orig 'O6 Sb.2 Ta1.8 Zn'
_publ_section_title
;
Experimente zur Mischkristallbildung zwischen Zinktantalaten und -
antimonaten: Zn Ta(2-x) Sb(x) O6
;
loop_
_publ_author_name
  'Halle, G'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    568
_journal_year                      1989
_journal_page_first                22
_journal_page_last                 28
_cell_length_a                     4.7314(11)
_cell_length_b                     4.7314(11)
_cell_length_c                     9.2160(33)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       206.3
_cell_formula_units_Z              2
_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
  Zn2+   2.000
  Sb5+   5.000
  Ta5+   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
  Zn1   Zn2+   2 a 0. 0. 0. 1.  0 d
  Sb1   Sb5+   4 e 0. 0. 0.3320(3) 0.1  0 d
  Ta1   Ta5+   4 e 0. 0. 0.3320(3) 0.9  0 d
  O1    O2-    4 f 0.309(10) 0.309(10) 0. 1.  0 d
  O2    O2-    8 j 0.298(6) 0.298(6) 0.325(4) 1.  0 d
_refine_ls_R_factor_all            0.066
_cod_database_code 2002451