data_global
_chemical_name_mineral 'Virgilite'
loop_
_publ_author_name
'Muller G'
'Paulus H'
'Stiefel J'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1990 
_journal_year 1990
_journal_page_first 493
_journal_page_last 503
_publ_section_title
;
 Synthesis and structure of beta-quartz type
 Na0.5H0.5AlSi206 as compared to LiAlSi206
 Note: stuffed beta-quartz type structure
;
_database_code_amcsd 0014849
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Li.333 (Al.333 Si.667) O2'
_cell_length_a 5.226
_cell_length_b 5.226
_cell_length_c 5.465
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 129.259
_exptl_crystal_density_diffrn      2.391
_symmetry_space_group_name_H-M 'P 62 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,x-y,1/3-z'
  'x-y,x,1/3+z'
  'y,x,2/3-z'
  '-y,x-y,2/3+z'
  '-x+y,y,-z'
  '-x,-y,z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,1/3+z'
  '-y,-x,2/3-z'
  'y,-x+y,2/3+z'
  'x-y,-y,-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
Li   0.00000   0.00000   0.00000   0.33333   0.03306
Al   0.50000   0.00000   0.00000   0.33333   0.01102
Si   0.50000   0.00000   0.00000   0.66667   0.01102
O   0.20300   0.40600   0.50000   1.00000   0.02938
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Li 0.01200 0.02100 0.07000 0.01100 0.00000 0.00000
Al 0.01100 0.00980 0.01170 0.00490 0.00000 0.00000
Si 0.01100 0.00980 0.01170 0.00490 0.00000 0.00000
O 0.02700 0.02790 0.03380 0.01400 0.01300 0.00000