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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/41/1514102.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_1514102
_publ_author_name                'Bystroem, A.M.'
_publ_section_title
;
 The crystal structure of ramsdellite, an orthorhombic modification of Mn
 O2
;
_journal_page_first              163
_journal_page_last               173
_journal_paper_doi               10.3891/acta.chem.scand.03-0163
_journal_volume                  3
_journal_year                    1949
_chemical_formula_structural     'Mn O2'
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Ramsdellite
_chemical_name_systematic        'Manganese(IV) Oxide'
_space_group_IT_number           62
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_audit_creation_date             1980/01/01
_audit_update_record             2005/10/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   4.533(5)
_cell_length_b                   9.27(1)
_cell_length_c                   2.866(5)
_cell_volume                     120.4(3)
_citation_journal_id_ASTM
'primary Acta Chemica Scandinavica (1-27,1973-42,1988) 1949 3 163 173 ACSAA4'
_cod_data_source_file            'data_MnO2melanie024034.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1395935391.11-D290F29E9218B844.cif
_cod_original_cell_volume        120.43
_cod_original_formula_sum        'Mn1 O2'
_cod_database_code               1514102
loop_
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x+1/2, y+1/2, z'
2 'x, y, -z+1/2'
3 'x+1/2, -y+1/2, z+1/2'
4 '-x, -y, -z'
5 'x+1/2, -y+1/2, -z'
6 '-x, -y, z+1/2'
7 '-x+1/2, y+1/2, -z+1/2'
8 'x, y, 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
Mn1 Mn4+ 4 c 0.022 0.136 0.25 1. 0
O1 O2- 4 c 0.333 0.275 0.25 1. 0
O2 O2- 4 c -.211 -.033 0.25 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn4+ 4
O2- -2