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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/9/9000136.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_9000136
_chemical_name 'Laueite'
loop_
_publ_author_name
'Moore P B'
_journal_name_full "American Mineralogist"
_journal_volume 50
_journal_year 1965
_journal_page_first 1884
_journal_page_last 1892
_publ_section_title
;
 The crystal structure of laueite, MnFe2(OH)2(PO4)2(H2O)6.2H2O
;
_chemical_formula_sum 'Mn Fe2 P2 O18 H4'
_cell_length_a 5.28
_cell_length_b 10.66
_cell_length_c 7.14
_cell_angle_alpha 107.92
_cell_angle_beta 110.98
_cell_angle_gamma 71.12
_cell_volume 346.573
_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_Uiso_or_equiv
Mn   0.00000   0.00000   0.00000   0.02216
Fe1   0.00000   0.50000   0.00000   0.00899
Fe2   0.00000   0.50000   0.50000   0.00861
P   0.34600   0.67000   0.92790   0.00988
O1   0.22810   0.11210   0.96200   0.02508
O2   0.24260   0.00460   0.32180   0.03800
O3   0.15520   0.50090   0.29520   0.01646
O4   0.16660   0.65390   0.04100   0.01140
Wat5   0.26180   0.80160   0.50760   0.03230
O6   0.27170   0.81880   0.90570   0.01697
O7   0.34440   0.36730   0.95010   0.01292
O8   0.29760   0.58000   0.71220   0.01254
O9   0.24330   0.30720   0.55070   0.01697