#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000544.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_9000544
_chemical_name 'Melonjosephite'
loop_
_publ_author_name
'Kampf A R'
'Moore P B'
_journal_name_full "American Mineralogist"
_journal_volume 62
_journal_year 1977
_journal_page_first 60
_journal_page_last 66
_publ_section_title
;
 Melonjosephite, calcium iron hydroxy phosphate: its crystal structure
;
_chemical_formula_sum 'Fe2 Ca P2 O9 H'
_cell_length_a 9.542
_cell_length_b 10.834
_cell_length_c 6.374
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 658.932
_symmetry_space_group_name_H-M 'P b a m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-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
Fe1   0.00000   0.00000   0.26700   0.00836
Fe2   0.34340   0.05530   0.50000   0.00735
Ca   0.42590   0.23240   0.00000   0.01216
P1   0.09210   0.24410   0.50000   0.00557
P2   0.20810   0.47790   0.00000   0.00608
O1   0.02850   0.18260   0.30280   0.00722
O2   0.25110   0.23070   0.50000   0.01089
O3   0.05020   0.38170   0.50000   0.00950
O4   0.37300   0.46910   0.00000   0.01140
O5   0.33920   0.05660   0.18660   0.00937
O6   0.15630   0.34660   0.00000   0.01241
O-h   0.34740   0.47250   0.50000   0.00988
H   0.32000   0.40000   0.50000 ?