data_global
_chemical_name_mineral 'Levyne-Ca'
loop_
_publ_author_name
'Merlino S'
'Galli E'
'Alberti A'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 22 
_journal_year 1975
_journal_page_first 117
_journal_page_last 129
_publ_section_title
;
 The crystal structure of levyne
 Note: a zeolite mineral
;
_database_code_amcsd 0015653
_chemical_compound_source 'small cavity in andesite from Nurri, Nuoro, Sardinia'
_chemical_formula_sum 'Ca2.759 Na.677 K.215 (Si11.7 Al6.3) O51.24 H30.48'
_cell_length_a 13.338
_cell_length_b 13.338
_cell_length_c 23.0140
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3545.718
_exptl_crystal_density_diffrn      2.084
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Ca1   0.00000   0.00000   0.13890   1.00000 ?
Ca2   0.00000   0.00000   0.27820   0.12880   0.04306
Na   0.00000   0.00000   0.27820   0.11480   0.04306
K1   0.00000   0.00000   0.27820   0.03640   0.04306
Ca3   0.00000   0.00000   0.40950   0.12420   0.11905
Na2   0.00000   0.00000   0.40950   0.11070   0.11905
K2   0.00000   0.00000   0.40950   0.03510   0.11905
Ca4   0.00000   0.00000   0.44980   0.06900   0.00887
Na3   0.00000   0.00000   0.44980   0.06150   0.00887
K3   0.00000   0.00000   0.44980   0.01950   0.00887
Ca5   0.00000   0.00000   0.50000   0.11500   0.00887
Na4   0.00000   0.00000   0.50000   0.10250   0.00887
K4   0.00000   0.00000   0.50000   0.03250   0.00887
Si   0.00010   0.23220   0.06970   0.65000 ?
Al1   0.00010   0.23220   0.06970   0.35000 ?
Si2   0.23960   0.00000   0.50000   0.65000 ?
Al2   0.23960   0.00000   0.50000   0.35000 ?
O1   0.03390   0.34930   0.10790   1.00000 ?
O2   0.09200  -0.09200   0.08270   1.00000 ?
O3   0.12750  -0.12750  -0.09100   1.00000 ?
O4   0.26430   0.00000   0.00000   1.00000 ?
O5   0.22190  -0.22190   0.17930   1.00000 ?
Wat1   0.25670  -0.25670  -0.12410   1.00000   0.06079
Wat2   0.12220  -0.12220   0.28520   0.73000   0.10132
Wat3   0.25470  -0.25470   0.01870   0.54000   0.08232
Wat4   0.54290  -0.54290  -0.04450   0.27000   0.07219
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
Ca1 0.03785 0.03785 0.05635 0.01893 0.00000 0.00000
Si 0.00541 0.00676 0.03756 0.00068 0.00000 0.00000
Al1 0.00541 0.00676 0.03756 0.00068 0.00000 0.00000
Si2 0.00473 0.00541 0.04025 0.00270 0.00000 0.00000
Al2 0.00473 0.00541 0.04025 0.00270 0.00000 0.00000
O1 0.04191 0.02028 0.03488 0.01082 -0.00808 -0.01347
O2 0.02231 0.02231 0.06171 0.00608 0.00269 -0.00269
O3 0.01757 0.01757 0.07781 -0.00473 0.00673 -0.00673
O4 0.03650 0.03245 0.07513 0.01622 0.00135 0.00269
O5 0.01622 0.01622 0.06708 -0.00203 0.00539 -0.00539