#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$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
loop_
_publ_author_name
'Zhang J'
'Ko J'
'Hazen R M'
'Prewitt C T'
_publ_section_title
;
 High-pressure crystal chemistry of KAlSi3O8 hollandite
 Pressure = 1.64 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al K O8 Si3'
_[local]_cod_chemical_formula_sum_orig 'K (Si3 Al) O8'
_chemical_name_mineral           Hollandite
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.285
_cell_length_b                   9.285
_cell_length_c                   2.717
_cell_volume                     234.236
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_U_iso_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