#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/23/2002395.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_2002395
_chemical_name_systematic
;
Tetramanganese tri-$-mue-oxo-hexaoxodiniobate
;
_chemical_formula_structural       'Mn4 (Nb2 O9)'
_chemical_formula_sum              'Mn4 Nb2 O9'
_publ_section_title
;
Synthese und Kristallstruktur von Mn4 Nb2 O9 und Mn2 Zn2 Nb2 O9
;
loop_
_publ_author_name
  'Rohweder, U'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    138
_journal_year                      1988
_journal_page_first                79
_journal_page_last                 86
_cell_length_a                     5.3293(2)
_cell_length_b                     5.3293(2)
_cell_length_c                     14.3154(21)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       352.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -3 c 1'
_symmetry_Int_Tables_number        165
_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'
  'x,x-y,1/2+z'
  'y-x,y,1/2+z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,1/2-z'
  '-x,y-x,1/2-z'
  'x-y,-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nb5+   5.000
  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+   4 c 0. 0. 0.3574(2) 1.  0 d
  Mn1   Mn2+   4 d 0.3333 0.6667 0.0190(4) 1.  0 d
  Mn2   Mn2+   4 d 0.3333 0.6667 0.3034(4) 1.  0 d
  O1    O2-   12 g 0.336(2) 0.308(3) 0.086(1) 1.  0 d
  O2    O2-    6 f 0.276(3) 0. 0.25 1.  0 d
_refine_ls_R_factor_all            0.049
_cod_database_code 2002395