#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002438.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_2002438
_chemical_name_systematic          'Dimanganese trizinc 20-oxohexatantalate'
_chemical_formula_structural       'Mn2 Zn3 (Ta6 O20)'
_chemical_formula_sum              'Mn2 O20 Ta6 Zn3'
_publ_section_title
;
Zur Kristallchemie der Oxotantalate. IV. Zur Kenntnis der metastabilen
Hochtemperaturverbindung Mn2 Zn3 Ta6 O20
;
loop_
_publ_author_name
  'Rohweder, U'
  'Muelle-Buschbaum, Hk'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    152
_journal_year                      1989
_journal_page_first                7
_journal_page_last                 13
_cell_length_a                     5.200(4)
_cell_length_b                     14.468(9)
_cell_length_c                     4.955(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90.0(1)
_cell_angle_gamma                  90
_cell_volume                       372.8
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'C 1 m 1'
_symmetry_Int_Tables_number        8
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ta5+   5.000
  Mn2+   2.000
  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+   2 a .0000(6) 0. .0000(6) 1.  0 d
  Ta2   Ta5+   4 b 0.0143(6) 0.1899(1) 0.5195(6) 1.  0 d
  Mn1   Mn2+   4 b 0.0202(8) 0.6292(3) 0.0256(8) 0.5  0 d
  Zn1   Zn2+   4 b 0.0202(8) 0.6292(3) 0.0256(8) 0.5  0 d
  Zn2   Zn2+   2 a 0.4028(8) 0. 0.5671(8) 0.5  0 d
  O1    O2-    4 b 0.335(1) 0.206(1) 0.322(1) 1.  0 d
  O2    O2-    4 b 0.194(1) 0.290(1) 0.741(1) 1.  0 d
  O3    O2-    2 a 0.186(1) 0.5 0.800(1) 1.  0 d
  O4    O2-    4 b 0.341(1) 0.405(1) 0.272(1) 1.  0 d
  O5    O2-    2 a 0.827(1) 0.5 0.184(1) 1.  0 d
  O6    O2-    4 b 0.141(1) 0.100(1) 0.775(1) 1.  0 d
_refine_ls_R_factor_all            0.051