#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/12/9001235.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_9001235
loop_
_publ_author_name
'Post, J. E.'
'Bish, D. L.'
_publ_section_title
;
 Rietveld refinement of the coronadite structure
 sample from Morocco
;
_journal_name_full               'American Mineralogist'
_journal_page_first              913
_journal_page_last               917
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mn2 O4 Pb0.268'
_chemical_name_mineral           Coronadite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.39
_cell_angle_gamma                90
_cell_length_a                   9.938
_cell_length_b                   2.8678
_cell_length_c                   9.834
_cell_volume                     280.264
_exptl_crystal_density_diffrn    5.437
_[local]_cod_chemical_formula_sum_orig 'Mn2 Pb.268 O4'
_cod_database_code               9001235
_amcsd_database_code             AMCSD#0001261
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,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
-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
_atom_site_occupancy
Mn1 0.85200 0.00000 0.33300 1.00000
Mn2 0.33300 0.00000 0.15600 1.00000
Pb 0.00000 0.21400 0.00000 0.26800
O1 0.63700 0.00000 0.29400 1.00000
O2 0.65700 0.00000 0.05100 1.00000
O3 0.28400 0.00000 0.32700 1.00000
O4 0.03400 0.00000 0.32900 1.00000