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 = 1.77 GPa
;
_database_code_amcsd 0004677
_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 12.891
_cell_length_b 12.891
_cell_length_c 13.653
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2268.826
_exptl_crystal_density_diffrn      2.542
_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   0.36480   0.36360   0.11710   0.94800   0.04300
NaK   0.36480   0.36360   0.11710   0.02600   0.04300
FeT1   0.05430   0.39940   0.16700   0.00300   0.01200
AlT1   0.05430   0.39940   0.16700   0.33000   0.01200
SiT1   0.05430   0.39940   0.16700   0.66700   0.01200
FeT2   0.16630   0.61320   0.12890   0.00300   0.01200
AlT2   0.16630   0.61320   0.12890   0.33000   0.01200
SiT2   0.16630   0.61320   0.12890   0.66700   0.01200
FeT3   0.39210   0.64010   0.08670   0.00300   0.01200
AlT3   0.39210   0.64010   0.08670   0.33000   0.01200
SiT3   0.39210   0.64010   0.08670   0.66700   0.01200
O1   0.13390   0.31740   0.11180   1.00000   0.01900
O2   0.08590   0.51470   0.12900   1.00000   0.01900
O3   0.14790   0.68470   0.22800   1.00000   0.01900
O4   0.13250   0.69070   0.03720   1.00000   0.01900
O5   0.28730   0.57140   0.11780   1.00000   0.01900
O6   0.48230   0.61800   0.17040   1.00000   0.01900