#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008093.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_1008093
_chemical_name_systematic          'Dimanganese titanium oxide'
_chemical_formula_structural       'Mn2 Ti O4'
_chemical_formula_sum              'Mn2 O4 Ti'
_publ_section_title
;
Etude par diffraction neutronique de la forme ordonnee de l'
orthotitanate de manganese - structure cristalline et structure
magnetique
;
loop_
_publ_author_name
  'Bertaut, E F'
  'Vincent, H'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    6
_journal_year                      1968
_journal_page_first                269
_journal_page_last                 275
_cell_length_a                     6.170(3)
_cell_length_b                     6.170(3)
_cell_length_c                     8.564(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       326.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 43 2 2'
_symmetry_Int_Tables_number        95
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  '-y,x,3/4+z'
  'y,-x,1/4+z'
  '-x,y,-z'
  'x,-y,1/2-z'
  'y,x,1/4-z'
  '-y,-x,3/4-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Ti4+   4.000
  Mn2+   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
  O1    O2-    8 d 0.272(3) 0.011(2) 0.009(3) 1.  0 d
  O2    O2-    8 d 0.292(3) 0.521(2) 0.015(3) 1.  0 d
  Ti1   Ti4+   4 b 0.5 0.247(8) 0. 1.  0 d
  Mn1   Mn2+   4 a 0. 0.242(8) 0. 1.  0 d
  Mn2   Mn2+   4 c 0.241(5) 0.241(5) 0.625 1.  0 d
_refine_ls_R_factor_all            0.08
_cod_database_code 1008093