#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002321.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_2002321
_chemical_name_systematic          'Trizinc ditantalum oxide'
_chemical_formula_structural       'Zn3 Ta2 O8'
_chemical_formula_sum              'O8 Ta2 Zn3'
_publ_section_title
;
Synthese und Strukturuntersuchung von Zn3 Ta2 O8
;
loop_
_publ_author_name
  'Waburg, M'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_volume                    115
_journal_year                      1984
_journal_page_first                15
_journal_page_last                 20
_cell_length_a                     9.499
_cell_length_b                     8.411
_cell_length_c                     8.881
_cell_angle_alpha                  90
_cell_angle_beta                   116.03
_cell_angle_gamma                  90
_cell_volume                       637.6
_cell_formula_units_Z              4
_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
  Ta5+   5.000
  Zn2+   2.000
  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
  Ta1   Ta5+   8 f 0.0812(1) 0.1427(1) 0.1269(1) 1.  0 d
  Zn1   Zn2+   8 f 0.3421(3) 0.0257(3) 0.5067(3) 1.  0 d
  Zn2   Zn2+   4 e 0. 0.7612(4) 0.25 1.  0 d
  O1    O2-    8 f 0.036(2) 0.899(2) 0.104(2) 1.  0 d
  O2    O2-    8 f 0.147(2) 0.137(2) 0.351(2) 1.  0 d
  O3    O2-    8 f 0.056(2) 0.363(2) 0.088(2) 1.  0 d
  O4    O2-    8 f 0.698(2) 0.882(2) 0.856(2) 1.  0 d
_refine_ls_R_factor_all            0.072
_cod_database_code 2002321