#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001514.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_9001514
_chemical_name 'Topaz'
loop_
_publ_author_name
'Wunder B'
'Rubie D C'
'Ross C R'
'Medenbach O'
'Seifert F'
'Schreyer W'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 285
_journal_page_last 297
_publ_section_title
;
 Synthesis, stability, and properties of Al2SiO4(OH)2: A fully hydrated
 analogue of topaz
;
_chemical_formula_sum 'Al2 Si O6 H2'
_cell_length_a 4.7238
_cell_length_b 8.9473
_cell_length_c 8.3900
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 354.606
_symmetry_space_group_name_H-M 'P b n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-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,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al  -0.09480   0.13220   0.07980
Si   0.40190  -0.05950   0.25000
O1  -0.28970   0.02610   0.25000
O2   0.05540   0.25580   0.25000
O3   0.21420  -0.00690   0.09400
O-H  -0.41030   0.25080   0.06650