#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002123.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_2002123
_chemical_name_systematic          'Manganese dizinc ditantalum oxide'
_chemical_formula_structural       'Mn Zn2 Ta2 O8'
_chemical_formula_sum              'Mn O8 Ta2 Zn2'
_publ_section_title
;
Geordnete und ungeordnete Metallverteilung in Mn Zn2 Ta2 O8 und Mn0.33
Zn0.67 Ta2 O6
;
loop_
_publ_author_name
  'Rohweder, U'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    572
_journal_year                      1989
_journal_page_first                102
_journal_page_last                 108
_cell_length_a                     19.286(5)
_cell_length_b                     5.922(1)
_cell_length_c                     5.228(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90.31(2)
_cell_angle_gamma                  90
_cell_volume                       597.1
_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
  Mn2+   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 0.1168 0.1597(1) 0.2374(1) 1.  0 d
  Zn1   Zn2+   8 f 0.2797(1) 0.1521(4) 0.2629(3) 1.  0 d
  Mn1   Mn2+   4 e 0. 0.6560(7) 0.25 1.  0 d
  O1    O2-    8 f 0.193(1) 0.356(2) 0.369(2) 1.  0 d
  O2    O2-    8 f 0.181(1) 0.102(2) 0.940(2) 1.  0 d
  O3    O2-    8 f 0.060(1) 0.375(2) 0.094(2) 1.  0 d
  O4    O2-    8 f 0.071(1) 0.111(2) 0.567(2) 1.  0 d
_refine_ls_R_factor_all            0.042
_cod_database_code 2002123
_journal_paper_doi 10.1002/zaac.19895720112