#------------------------------------------------------------------------------
#$Date: 2016-02-21 09:49:01 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176808 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/42/1514239.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_1514239
loop_
_publ_author_name
'Hill, L. I.'
'Verbaere, A.'
_publ_section_title
;
 On the structural defects in synthetic gamma-(Mn O2)s
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              4706
_journal_page_last               4723
_journal_paper_doi               10.1016/j.jssc.2004.08.037
_journal_volume                  177
_journal_year                    2004
_chemical_formula_structural     'Mn O2'
_chemical_formula_sum            'Mn O2'
_chemical_name_systematic        'Manganese(IV) Oxide - Gamma'
_space_group_IT_number           12
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2006/04/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.5
_cell_angle_gamma                90.
_cell_formula_units_Z            6
_cell_length_a                   13.7
_cell_length_b                   2.867
_cell_length_c                   4.46
_cell_volume                     175.173
_cod_data_source_file            'data_MnO2melanie150462.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396619838.21-D290F29E9218B844.cif
_cod_original_cell_volume        175.17
_cod_original_formula_sum        'Mn1 O2'
_cod_database_code               1514239
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, y, -z'
2 '-x, -y, -z'
3 'x, -y, z'
4 'x, y, z'
5 '-x+1/2, y+1/2, -z'
6 '-x+1/2, -y+1/2, -z'
7 'x+1/2, -y+1/2, z'
8 '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_B_iso_or_equiv
Mn1 Mn4+ 2 a 0 0 0 1. 0 0
Mn2 Mn4+ 4 i 0.6610 0 0.5060 1. 0 0
O1 O2- 4 i 0.4465 0 0.7680 1. 0 0
O2 O2- 4 i 0.8905 0 0.2600 1. 0 0
O3 O2- 4 i 0.7830 0 0.7260 1. 0 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn4+ 4
O2- -2
