#------------------------------------------------------------------------------
#$Date: 2016-02-21 08:49:01 +0100 (dom 21 de feb de 2016) $
#$Revision: 176808 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/41/1514110.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_1514110
loop_
_publ_author_name
'John, A. S.'
_publ_section_title
;
 Crystal structure of the rutile type
;
_journal_coden_ASTM              PHRVAO
_journal_name_full
'Physical Review (1,1893-132,1963/141,1966-188,1969)'
_journal_page_first              389
_journal_page_last               389
_journal_volume                  21
_journal_year                    1923
_chemical_formula_structural     'Mn O2'
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Pyrolusite
_chemical_name_systematic        'Manganese(IV) Oxide'
_space_group_IT_number           136
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_audit_creation_date             2003/04/01
_audit_update_record             2012/08/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   4.40
_cell_length_b                   4.40
_cell_length_c                   2.87
_cell_volume                     55.563
_cod_data_source_file            'data_MnO2melanie056006.cif'
_cod_data_source_block
/var/www/cod/tmp/uploads/1396024633.9-D290F29E9218B844.cif
_cod_original_cell_volume        55.56
_cod_original_formula_sum        'Mn1 O2'
_cod_database_code               1514110
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-y+1/2, x+1/2, -z+1/2'
2 'y+1/2, -x+1/2, -z+1/2'
3 'y, x, -z'
4 '-y, -x, -z'
5 'y+1/2, -x+1/2, z+1/2'
6 '-y+1/2, x+1/2, z+1/2'
7 '-y, -x, z'
8 'y, x, z'
9 'x+1/2, -y+1/2, -z+1/2'
10 '-x+1/2, y+1/2, -z+1/2'
11 'x, y, -z'
12 '-x, -y, -z'
13 '-x+1/2, y+1/2, z+1/2'
14 'x+1/2, -y+1/2, z+1/2'
15 '-x, -y, z'
16 '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+ 2 a 0 0 0 1. 0
O1 O2- 4 f 0.303 0.303 0 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn4+ 4
O2- -2
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_journal_issue
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physical Review (1,1893-132,1963/141,1966-188,1969)' 1923 21 . 389 389
PHRVAO
2
;
 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1:
 Matematisk-Naturvidenskapelig Klasse
;
1926 1926 9 1 17 SUNVAQ
3
;
 Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche,
 Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)
;
1926 3 . 224 230 AANL7U
