#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011012.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_1011012
_chemical_name_systematic          'Manganese(III) hydroxide oxide'
_chemical_name_mineral             'Manganite'
_chemical_compound_source          'from Ilfeld, Harz Mts., Germany'
_chemical_formula_structural       'Mn (O H) O'
_chemical_formula_sum              'H Mn O2'
_publ_section_title
;
The Symmetry and Crystal Structure of Manganite, Mn (O H) O
;
loop_
_publ_author_name                  'Buerger, M J'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    95
_journal_year                      1936
_journal_page_first                163
_journal_page_last                 174
_cell_length_a                     8.86
_cell_length_b                     5.24
_cell_length_c                     5.7
_cell_angle_alpha                  90
_cell_angle_beta                   90.(0)
_cell_angle_gamma                  90
_cell_volume                       264.6
_cell_formula_units_Z              8
_exptl_crystal_density_meas        4.33
_symmetry_space_group_name_H-M     'B 1 21/d 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  '1/4-x,1/2+y,1/4-z'
  '3/4+x,1/2-y,3/4+z'
  '1/2+x,y,1/2+z'
  '1/2-x,-y,1/2-z'
  '3/4-x,1/2+y,3/4-z'
  '1/4+x,1/2-y,1/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mn3+   3.000
  O2-   -2.000
  H1+    1.000
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
  Mn1   Mn3+   8 e 0. 0. 0.258 1.  0 d
  O1    O2-    8 e 0.119 0.122 0. 1.  0 d
  O2    O2-    8 e 0.119 0.122 0.5 1.  0 d
  H1    H1+    8 ? -1. -1. -1. 1.  0 dum