#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/24/2002402.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_2002402
_chemical_name_systematic          'Manganese dizinc diniobium oxide'
_chemical_formula_structural       'Mn Zn2 Nb2 O8'
_chemical_formula_sum              'Mn Nb2 O8 Zn2'
_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                     19.267
_cell_length_b                     5.933
_cell_length_c                     5.222
_cell_angle_alpha                  90
_cell_angle_beta                   90.3
_cell_angle_gamma                  90
_cell_volume                       596.9
_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
  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+   8 f 0.1169(1) 0.1623(3) 0.2390(3) 1.  0 d
  Zn1   Zn2+   8 f 0.2787(1) 0.1524(5) 0.2599(4) 1.  0 d
  Mn1   Mn2+   4 e 0. 0.6606(8) 0.25 1.  0 d
  O1    O2-    8 f 0.192(1) 0.353(3) 0.372(2) 1.  0 d
  O2    O2-    8 f 0.181(1) 0.103(2) 0.946(3) 1.  0 d
  O3    O2-    8 f 0.061(1) 0.374(2) 0.096(3) 1.  0 d
  O4    O2-    8 f 0.072(1) 0.110(2) 0.569(3) 1.  0 d
_refine_ls_R_factor_all            0.079
_cod_database_code 2002402