#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001302.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_9001302
_chemical_name 'Marokite'
loop_
_publ_author_name
'Ross C R'
'Rubie D C'
'Paris E'
_journal_name_full "American Mineralogist"
_journal_volume 75
_journal_year 1990
_journal_page_first 1249
_journal_page_last 1252
_publ_section_title
;
 Rietveld refinement of the high-pressure polymorph of Mn3O4
;
_chemical_formula_sum 'Mn3 O4'
_cell_length_a 9.5564
_cell_length_b 9.7996
_cell_length_c 3.0240
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 283.194
_symmetry_space_group_name_H-M 'P m a b'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  'x,1/2+y,-z'
  '-x,1/2-y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Mn2+   0.75000   0.14610   0.68450   0.00697
Mn3+   0.06960   0.11470   0.20340   0.00317
O1   0.00000   0.25000   0.62040   0.00228
O2   0.25000   0.19990   0.18990   0.00228
O3   0.11120   0.96940   0.79560   0.00228