data_global
_chemical_name_mineral '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 1
;
_database_code_amcsd 0001557
_chemical_formula_sum 'K Si2 Al O6'
_cell_length_a 12.931
_cell_length_b 12.931
_cell_length_c 13.812
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2309.515
_exptl_crystal_density_diffrn      2.511
_symmetry_space_group_name_H-M 'I 41/a'
loop_
_space_group_symop_operation_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
K   0.37130   0.35680   0.11290
Si1   0.05560   0.39600   0.16810
Al   0.16980   0.60980   0.12670
Si2   0.39780   0.63610   0.08440
O1   0.12960   0.31540   0.10970
O2   0.08670   0.50760   0.13280
O3   0.14290   0.68570   0.22810
O4   0.12990   0.68680   0.03200
O5   0.29940   0.57000   0.11830
O6   0.48990   0.61670   0.16360