#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/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
loop_
_publ_author_name
'Garrido, J'
_publ_section_title              'Structure cristalline de la manganite.'
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              69
_journal_page_last               71
_journal_volume                  200
_journal_year                    1935
_chemical_compound_source        'from Ilfeld, Harz Mts., Germany'
_chemical_formula_structural     'Mn O (O H)'
_chemical_formula_sum            'H Mn O2'
_chemical_name_mineral           Manganite
_chemical_name_systematic        'Manganese(III) oxide hydroxide'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.42
_cell_length_b                   5.23
_cell_length_c                   2.87
_cell_volume                     66.3
_exptl_crystal_density_meas      4.3
_cod_database_code               1011020
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2.000
Mn3+ 3.000
H1+ 1.000
