data_9001520
_chemical_name 'Leucite'
loop_
_publ_author_name
'Dove M T'
'Cool T'
'Palmer D C'
'Putnis A'
'Salje E K H'
'Winkler B'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 486
_journal_page_last 492
_publ_section_title
;
 On the role of Al-Si ordering in the cubic-tetragonal phase transition of
 leucite
 Sample is Order model 2
;
_chemical_formula_sum 'K (Si2 Al) O6'
_cell_length_a 13.005
_cell_length_b 13.005
_cell_length_c 13.765
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2328.075
_symmetry_space_group_name_H-M 'I 41/a'
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