#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001221.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_9001221
_chemical_name 'Staurolite'
loop_
_publ_author_name
'Alexander V D'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 610
_journal_page_last 619
_publ_section_title
;
 Iron distribution in staurolite at room and low temperatures
 sample at room temperature
;
_chemical_formula_sum 'Fe.581 Mg.233 Zn.163 Ti.022 Al4.499 Si1.804 Mn.02 O12 H.1
_cell_length_a 7.865
_cell_length_b 16.580
_cell_length_c 5.668
_cell_angle_alpha 90
_cell_angle_beta 90.38
_cell_angle_gamma 90
_cell_volume 739.101
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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   0.38970   0.00000   0.24710   0.53500 ?
Mg   0.38970   0.00000   0.24710   0.23300 ?
Zn   0.38970   0.00000   0.24710   0.16300 ?
Ti   0.38970   0.00000   0.24710   0.02200 ?
Al   0.38970   0.00000   0.24710   0.01800 ?
Si   0.13420   0.16620   0.24820   0.90200 ?
Al   0.13420   0.16620   0.24820   0.09800 ?
Al1A   0.50000   0.17510   0.00000   0.95000 ?
Al1B   0.50000   0.17490   0.50000   0.96000 ?
Al2   0.26280   0.41040   0.25180   0.97000 ?
Al3A   0.00000   0.00000   0.00000   0.57200 ?
Fe3A   0.00000   0.00000   0.00000   0.04800 ?
Al3B   0.00000   0.00000   0.50000   0.29800 ?
Fe3B   0.00000   0.00000   0.50000   0.02300 ?
Mn1   0.50000   0.00000   0.00000   0.02500   0.00190
Fe1   0.50000   0.00000   0.00000   0.01500   0.00190
Mn2   0.50000   0.00000   0.50000   0.01500   0.01750
Fe2   0.50000   0.00000   0.50000   0.00500   0.01750
O1A   0.23280   0.00000   0.96280   1.00000 ?
O-H1B   0.23580   0.00000   0.53390   1.00000 ?
O2A   0.25580   0.16140   0.01520   1.00000 ?
O2B   0.25450   0.16100   0.48350   1.00000 ?
O3   0.00150   0.08890   0.24470   1.00000 ?
O4   0.02180   0.24930   0.24930   1.00000 ?
O5   0.52700   0.09960   0.24950   1.00000 ?