#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000717.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_9000717
_chemical_name 'Andalusite'
loop_
_publ_author_name
'Winter J K'
'Ghose S'
_journal_name_full "American Mineralogist"
_journal_volume 64
_journal_year 1979
_journal_page_first 573
_journal_page_last 586
_publ_section_title
;
 Thermal expansion and high-temperature crystal chemistry of the Al2SiO5
 polymorphs
 T = 600 deg C
;
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.8556
_cell_length_b 7.9424
_cell_length_c 5.5642
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 347.163
_symmetry_space_group_name_H-M 'P n n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1   0.00000   0.00000   0.24190
Al2   0.37180   0.13980   0.50000
Si   0.24620   0.25410   0.00000
Oa   0.42360   0.36460   0.00000
Ob   0.10310   0.40080   0.00000
Oc   0.42490   0.36300   0.50000
Od   0.23290   0.13640   0.23920