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#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/10/1011020.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_1011020
_chemical_name_systematic          'Manganese(III) oxide hydroxide'
_chemical_name_mineral             'Manganite'
_chemical_compound_source          'from Ilfeld, Harz Mts., Germany'
_chemical_formula_structural       'Mn O (O H)'
_chemical_formula_sum              'H Mn O2'
_publ_section_title                'Structure cristalline de la manganite.'
loop_
_publ_author_name                  'Garrido, J'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_coden_ASTM                COREAF
_journal_volume                    200
_journal_year                      1935
_journal_page_first                69
_journal_page_last                 71
_cell_length_a                     4.42
_cell_length_b                     5.23
_cell_length_c                     2.87
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       66.3
_cell_formula_units_Z              2
_exptl_crystal_density_meas        4.3
_symmetry_space_group_name_H-M     'P n n m'
_symmetry_Int_Tables_number        58
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Mn3+   3.000
  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
  O1    O2-    4 g 0.25 0.176 0. 1.  0 d
  Mn1   Mn3+   2 a 0. 0. 0. 1.  0 d
  H1    H1+    2 ? -1. -1. -1. 1.  0 dum
_cod_database_code 1011020