#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001522.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_9001522
_chemical_name 'Hollandite'
loop_
_publ_author_name
'Zhang J'
'Ko J'
'Hazen R M'
'Prewitt C T'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 493
_journal_page_last 499
_publ_section_title
;
 High-pressure crystal chemistry of KAlSi3O8 hollandite
 Pressure = 1.64 GPa
;
_chemical_formula_sum 'K (Si3 Al) O8'
_cell_length_a 9.285
_cell_length_b 9.285
_cell_length_c 2.717
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 234.236
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,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'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,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_occupancy
_atom_site_Uiso_or_equiv
K   0.00000   0.00000   0.50000   1.00000   0.01418
Si   0.35010   0.16580   0.00000   0.75000   0.00545
Al   0.35010   0.16580   0.00000   0.25000   0.00545
O1   0.15320   0.20360   0.00000   1.00000   0.00963
O2   0.54110   0.16590   0.00000   1.00000   0.00735