#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009987.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_9009987
_chemical_name '5[Al2O3]*H2O'
loop_
_publ_author_name
'Yamaguchi G'
'Okumiya M'
'Ono S'
_journal_name_full "Bulletin of the Chemical Society of Japan"
_journal_volume 42
_journal_year 1969
_journal_page_first 2247
_journal_page_last 2249
_publ_section_title
;
 Refinement of the structure of tohdite 5Al2O3*H2O
 Locality: synthetic
;
_chemical_formula_sum 'Al5 O8'
_cell_length_a 5.575
_cell_length_b 5.575
_cell_length_c 8.761
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 235.816
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Al1   0.16470   0.32940   0.37080   0.00583
Al2   0.66667   0.33333   0.15330   0.00583
Al3   0.33333   0.66667   0.06110   0.00583
O1   0.00000   0.00000   0.00000   0.00583
O2   0.50980   0.01960   0.01430   0.00583
O3   0.82910   0.65820   0.26660   0.00583
O4   0.33333   0.66667   0.26380   0.00583