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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001556.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_9001556
_chemical_name 'Bernalite'
loop_
_publ_author_name
'Birch W D'
'Pring A'
'Reller A'
'Schmalle H W'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 827
_journal_page_last 834
_publ_section_title
;
 Bernalite, Fe(OH)3, a new mineral from Broken Hill, New South Wales: Descriptio
 and structure
;
_chemical_formula_sum 'Fe4 O13 H14'
_cell_length_a 7.544
_cell_length_b 7.560
_cell_length_c 7.558
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 431.053
_symmetry_space_group_name_H-M 'I m m m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Fe   0.25000   0.25000   0.25000   0.00490
O-H1   0.50000   0.17800   0.30800   0.00100
O-H2   0.19500   0.19000   0.50000   0.00100
O-H3   0.31800   0.50000   0.32300   0.00100
Wat   0.00000   0.50000   0.50000   0.00640