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 = 0.38 GPa
;
_database_code_amcsd 0004675
_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 13.053
_cell_length_b 13.053
_cell_length_c 13.732
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2339.669
_exptl_crystal_density_diffrn      2.465
_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   0.36600   0.36480   0.11490   0.94800   0.05200
NaK   0.36600   0.36480   0.11490   0.02600   0.05200
FeT1   0.05690   0.39700   0.16690   0.00300   0.00940
AlT1   0.05690   0.39700   0.16690   0.33000   0.00940
SiT1   0.05690   0.39700   0.16690   0.66700   0.00940
FeT2   0.16900   0.61050   0.12730   0.00300   0.00940
AlT2   0.16900   0.61050   0.12730   0.33000   0.00940
SiT2   0.16900   0.61050   0.12730   0.66700   0.00940
FeT3   0.39260   0.64140   0.08640   0.00300   0.00940
AlT3   0.39260   0.64140   0.08640   0.33000   0.00940
SiT3   0.39260   0.64140   0.08640   0.66700   0.00940
O1   0.13080   0.31370   0.11030   1.00000   0.01600
O2   0.09000   0.51140   0.12950   1.00000   0.01600
O3   0.14380   0.67940   0.22610   1.00000   0.01600
O4   0.12790   0.68510   0.03580   1.00000   0.01600
O5   0.28960   0.57250   0.11970   1.00000   0.01600
O6   0.48380   0.61490   0.16590   1.00000   0.01600