#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001520.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_9001520
loop_
_publ_author_name
'Dove M T'
'Cool T'
'Palmer D C'
'Putnis A'
'Salje E K H'
'Winkler B'
_publ_section_title
;
 On the role of Al-Si ordering in the cubic-tetragonal phase transition of
 leucite
 Sample is Order model 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              486
_journal_page_last               492
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'K (Si2 Al) O6'
_chemical_name_mineral           Leucite
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.005
_cell_length_b                   13.005
_cell_length_c                   13.765
_cell_volume                     2328.075
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
3/4+y,1/4-x,1/4-z
1/4+y,3/4-x,3/4-z
3/4-y,1/4+x,1/4+z
1/4-y,3/4+x,3/4+z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
3/4-y,3/4+x,3/4-z
1/4-y,1/4+x,1/4-z
3/4+y,3/4-x,3/4+z
1/4+y,1/4-x,1/4+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
K 0.36180 0.36190 0.11970 1.00000
Si1 0.05640 0.39820 0.16720 0.50000
Al1 0.05640 0.39820 0.16720 0.50000
Si2 0.16710 0.61340 0.12830 0.75000
Al2 0.16710 0.61340 0.12830 0.25000
Si3 0.39260 0.64130 0.08610 0.75000
Al3 0.39260 0.64130 0.08610 0.25000
O1 0.13520 0.31680 0.11170 1.00000
O2 0.09020 0.51590 0.13300 1.00000
O3 0.14710 0.68160 0.22840 1.00000
O4 0.13520 0.68870 0.03880 1.00000
O5 0.28980 0.57580 0.12090 1.00000
O6 0.48380 0.61750 0.16630 1.00000