#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9000260.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_9000260
_chemical_name 'Heterosite'
loop_
_publ_author_name
'Eventoff W'
'Martin R'
'Peacor D R'
_journal_name_full "American Mineralogist"
_journal_volume 57
_journal_year 1972
_journal_page_first 45
_journal_page_last 51
_publ_section_title
;
 The crystal structure of heterosite
;
_chemical_formula_sum '(Fe.65 Mn.35) P O4'
_cell_length_a 5.83
_cell_length_b 9.79
_cell_length_c 4.769
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 272.194
_symmetry_space_group_name_H-M 'P m n b'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  'x,1/2+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe   0.25000   0.27700   0.94490   0.65000
Mn   0.25000   0.27700   0.94490   0.35000
P   0.25000   0.09350   0.39830   1.00000
O1   0.25000   0.11760   0.71310   1.00000
O2   0.25000   0.44170   0.16140   1.00000
O3   0.04610   0.16840   0.25130   1.00000