#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2002452.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_2002452
_chemical_name_systematic          'Zinc tantalate antimonate (4/1.2/.8)'
_chemical_formula_structural       'Zn4 Ta1.2 Sb.8 O9'
_chemical_formula_sum              'O9 Sb.8 Ta1.2 Zn4'
_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                     15.103(23)
_cell_length_b                     8.839(11)
_cell_length_c                     10.378(5)
_cell_angle_alpha                  90
_cell_angle_beta                   93.81(11)
_cell_angle_gamma                  90
_cell_volume                       1382.4
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_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'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Zn2+   2.000
  Ta5+   5.000
  Sb5+   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+   4 e 0. 0.7982(7) 0.25 1.  0 d
  Zn2   Zn2+   8 f 0.3018(3) 0.3552(5) 0.0702(3) 1.  0 d
  Zn3   Zn2+   8 f 0.1660(3) 0.7206(6) 0.0543(4) 1.  0 d
  Zn4   Zn2+   8 f 0.0257(3) 0.3517(6) 0.0411(4) 1.  0 d
  Ta1   Ta5+   4 a 0. 0. 0. 0.6  0 d
  Sb1   Sb5+   4 a 0. 0. 0. 0.4  0 d
  Ta2   Ta5+   8 f 0.3405(1) 0.0015(2) 0.2011(1) 0.6  0 d
  Sb2   Sb5+   8 f 0.3405(1) 0.0015(2) 0.2011(1) 0.4  0 d
  Ta3   Ta5+   8 f 0.3517(2) 0.6468(3) 0.2401(2) 0.3  0 d
  Sb3   Sb5+   8 f 0.3517(2) 0.6468(3) 0.2401(2) 0.2  0 d
  Zn5   Zn2+   8 f 0.3517(2) 0.6468(3) 0.2401(2) 0.5  0 d
  O1    O2-    8 f 0.432(2) 0.330(3) 0.066(2) 1.  0 d
  O2    O2-    8 f 0.099(1) 0.655(3) 0.199(2) 1.  0 d
  O3    O2-    8 f 0.268(2) 0.833(3) 0.114(2) 1.  0 d
  O4    O2-    8 f 0.259(1) 0.516(3) 0.170(2) 1.  0 d
  O5    O2-    8 f 0.075(2) 0.989(3) 0.164(2) 1.  0 d
  O6    O2-    8 f 0.421(2) 0.644(3) 0.070(2) 1.  0 d
  O7    O2-    8 f 0.255(2) 0.151(3) 0.112(2) 1.  0 d
  O8    O2-    8 f 0.105(2) 0.333(3) 0.192(2) 1.  0 d
  O9    O2-    8 f 0.422(2) 0.988(3) 0.067(2) 1.  0 d
_refine_ls_R_factor_all            0.078