#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$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
loop_
_publ_author_name
'Kampf A R'
'Moore P B'
_publ_section_title
;
 Melonjosephite, calcium iron hydroxy phosphate: its crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              60
_journal_page_last               66
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Ca Fe2 H O9 P2'
_[local]_cod_chemical_formula_sum_orig 'Fe2 Ca P2 O9 H'
_chemical_name_mineral           Melonjosephite
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.542
_cell_length_b                   10.834
_cell_length_c                   6.374
_cell_volume                     658.932
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_U_iso_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 ?
_cod_database_code 9000544