#------------------------------------------------------------------------------
#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/66/9016667.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9016667
loop_
_publ_author_name
'Kondrashev, Y. D.'
'Zaslavskii, A. I.'
_publ_section_title
;
 The structure of the modifications of manganese oxide
;
_journal_name_full               'Izvestiya Akademii Nauk SSSR'
_journal_page_first              179
_journal_page_last               186
_journal_volume                  15
_journal_year                    1951
_chemical_formula_sum            'Mn O2'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.815
_cell_length_b                   9.815
_cell_length_c                   2.847
_cell_volume                     274.264
_database_code_amcsd             0017792
_exptl_crystal_density_diffrn    4.211
_cod_original_cell_volume        274.263
_cod_database_code               9016667
_amcsd_formula_title             MnO2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn 0.33000 0.15000 0.50000
O1 0.20500 0.16000 0.00000
O2 0.45800 0.16000 0.00000
