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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009359.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_9009359
_chemical_name 'Chalcosiderite'
loop_
_publ_author_name
'Giuseppetti G'
'Mazzi F'
'Tadini C'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1989
_journal_year 1989
_journal_page_first 227
_journal_page_last 239
_publ_section_title
;
 The crystal structure of chalcosiderite, CuFe3+6(PO4)4(OH)8*4H2O
 Locality: Wheal Phoenix Mine, Cornwall, England
;
_chemical_formula_sum 'Cu (Fe5.46 Al.54) P4 O28 H16'
_cell_length_a 7.653
_cell_length_b 7.873
_cell_length_c 10.190
_cell_angle_alpha 67.57
_cell_angle_beta 69.17
_cell_angle_gamma 64.93
_cell_volume 500.076
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Cu   0.00000   0.00000   0.00000   1.00000   0.01330
Fe1   0.28630   0.18220   0.75300   0.88000   0.00912
Al1   0.28630   0.18220   0.75300   0.12000   0.00912
Fe2   0.75600   0.18730   0.27430   0.88000   0.00874
Al2   0.75600   0.18730   0.27430   0.12000   0.00874
Fe3   0.24440   0.50320   0.24330   0.97000   0.00937
Al3   0.24440   0.50320   0.24330   0.03000   0.00937
P1   0.35000   0.38230   0.94820   1.00000   0.00937
P2   0.84330   0.38070   0.46210   1.00000   0.00925
O1   0.06080   0.36350   0.39130   1.00000   0.01431
O2   0.80630   0.33610   0.62840   1.00000   0.01279
O3   0.27540   0.34860   0.11440   1.00000   0.01305
O4   0.07150   0.06190   0.19390   1.00000   0.01887
O5   0.23300   0.08150   0.62600   1.00000   0.01418
O6   0.73930   0.08630   0.11840   1.00000   0.01229
O7   0.29530   0.41540   0.60000   1.00000   0.01444
O8   0.33200   0.22150   0.91040   1.00000   0.01570
O9   0.98590   0.27430   0.85640   1.00000   0.01330
O10   0.58300   0.04370   0.68290   1.00000   0.01798
O11   0.78380   0.41880   0.12550   1.00000   0.01456
O12   0.46400   0.29070   0.33310   1.00000   0.01431
O13   0.79440   0.22510   0.43770   1.00000   0.01317
O14   0.56900   0.36810   0.90480   1.00000   0.01279
H1   0.15700  -0.07500   0.23900   1.00000   0.03800
H2   0.13400   0.11400   0.21000   1.00000   0.13932
H3   0.64100   0.09700   0.60400   1.00000   0.05066
H4   0.59800  -0.05700   0.67700   1.00000   0.06333
H5   0.16200   0.16000   0.54400   1.00000   0.08866
H6   0.65200   0.17500   0.05000   1.00000   0.03800
H7   0.98300   0.32300   0.91500   1.00000   0.05066
H8   0.44900   0.28100   0.41700   1.00000   0.11399