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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/9/9009828.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_9009828
_chemical_name 'Sigloite'
loop_
_publ_author_name
'Hawthorne F C'
_journal_name_full "Mineralogy and Petrology"
_journal_volume 38
_journal_year 1988
_journal_page_first 201
_journal_page_last 211
_publ_section_title
;
 Sigloite: The oxidation mechanism in [M2(PO4)2(OH)2(H21O)2] structures
 Locality: Siglo XX Mine, Llallagau, Bolivia
;
_chemical_formula_sum 'Fe.5 Al P O9 H14'
_cell_length_a 5.190
_cell_length_b 10.419
_cell_length_c 7.033
_cell_angle_alpha 105.00
_cell_angle_beta 111.31
_cell_angle_gamma 70.87
_cell_volume 330.494
_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
Fe   0.01850   0.00120  -0.00660   0.50000   0.01950
Al1   0.00000   0.50000   0.00000   1.00000 ?
Al2   0.00000   0.50000   0.50000   1.00000 ?
P   0.33110   0.66930   0.91070   1.00000 ?
O1   0.16920   0.64380   0.03570   1.00000 ?
O2   0.28830   0.57960   0.69710   1.00000 ?
O3   0.21910   0.82290   0.88420   1.00000 ?
O4   0.34640   0.36070   0.96920   1.00000 ?
O-H5   0.13740   0.50280   0.28990   1.00000 ?
O6   0.25180   0.31880   0.55460   1.00000 ?
Wat7A   0.29170   0.98430   0.29120   0.50000   0.02700
Wat7B   0.36220   0.01050   0.23880   0.50000   0.02700
O-H8A   0.23060   0.09590   0.93590   0.50000   0.02600
Wat8B   0.12770   0.10050   0.83810   0.50000   0.02600
Wat9A   0.21850   0.81200   0.48370   0.50000   0.02500
Wat9B   0.30710   0.86380   0.55380   0.50000   0.02500
H6A   0.41000   0.27600   0.53000   1.00000   0.01000
H6B   0.29400   0.32100   0.65900   1.00000   0.01000