#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/24/2002401.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_2002401
_chemical_name_systematic
;
Trimanganese zinc tri-$-mue-oxo-hexaoxodiniobate
;
_chemical_formula_structural       'Mn3 Zn (Nb2 O9)'
_chemical_formula_sum              'Mn3 Nb2 O9 Zn'
_publ_section_title
;
Zur Kristallchemie von Mn3 Zn Nb2 O9 und Mn Zn2 Nb2 O8
;
loop_
_publ_author_name
  'Rohweder, U'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    142
_journal_year                      1988
_journal_page_first                75
_journal_page_last                 83
_cell_length_a                     5.291
_cell_length_b                     5.291
_cell_length_c                     14.342
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       347.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 3 c 1'
_symmetry_Int_Tables_number        158
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,1/2+z'
  'y-x,y,1/2+z'
  'x,x-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nb5+   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
  Nb1   Nb5+   2 a 0. 0. 0.3547(4) 1.  0 d
  Nb2   Nb5+   2 a 0. 0. 0.1384(4) 1.  0 d
  Zn1   Zn2+   2 b 0.3333 0.6667 0.2984(7) 1.  0 d
  Mn1   Mn2+   2 b 0.3333 0.6667 0.0190(7) 1.  0 d
  Mn2   Mn2+   2 c 0.6667 0.3333 0.4880(8) 1.  0 d
  Mn3   Mn2+   2 c 0.6667 0.3333 0.2008(11) 1.  0 d
  O1    O2-    6 d 0.353(5) 0.321(5) 0.087(2) 1.  0 d
  O2    O2-    6 d 0.320(5) 0.336(4) 0.414(2) 1.  0 d
  O3    O2-    6 d 0.264(4) 0.966(4) 0.243(3) 1.  0 d
_refine_ls_R_factor_all            0.062
_cod_database_code 2002401