data_global
_chemical_name_mineral 'Leucite'
loop_
_publ_author_name
'Gatta G D'
'Rotiroti N'
'Ballaran T B'
'Pavese A'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1588
_journal_page_last 1596
_publ_section_title
;
 Leucite at high pressure: Elastic behavior, phase stability,
 and petrological implications
 Note: P =  .0001 GPa in air after decompression
;
_database_code_amcsd 0004678
_chemical_compound_source 'Sabatini volcanic district, Lazium, Italy'
_chemical_formula_sum 'K.948 Na.026 (Fe.009 Al.99 Si2.001) O6'
_cell_length_a 13.073
_cell_length_b 13.073
_cell_length_c 13.731
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2346.674
_exptl_crystal_density_diffrn      2.458
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
KK   0.36560   0.36420   0.11380   0.94800   0.04980
NaK   0.36560   0.36420   0.11380   0.02600   0.04980
FeT1   0.05740   0.39640   0.16690   0.00300   0.01090
AlT1   0.05740   0.39640   0.16690   0.33000   0.01090
SiT1   0.05740   0.39640   0.16690   0.66700   0.01090
FeT2   0.16740   0.61150   0.12810   0.00300   0.01010
AlT2   0.16740   0.61150   0.12810   0.33000   0.01010
SiT2   0.16740   0.61150   0.12810   0.66700   0.01010
FeT3   0.39250   0.64170   0.08628   0.00300   0.01020
AlT3   0.39250   0.64170   0.08628   0.33000   0.01020
SiT3   0.39250   0.64170   0.08628   0.66700   0.01020
O1   0.13200   0.31460   0.11010   1.00000   0.02700
O2   0.09140   0.51110   0.13090   1.00000   0.02370
O3   0.14550   0.68040   0.22720   1.00000   0.01730
O4   0.13340   0.68510   0.03600   1.00000   0.02170
O5   0.28930   0.57600   0.12050   1.00000   0.01970
O6   0.48360   0.61730   0.16680   1.00000   0.01760