data_global
_chemical_name_mineral 'Levyne-Ca'
loop_
_publ_author_name
'Gatta G D'
'Comodi P'
'Zanazzi P F'
'Ballaran T B'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 645
_journal_page_last 652
_publ_section_title
;
 Anomalous elastic behavior and high-pressure structural evolution of zeolite levyne
 P = 3.0 GPa
;
_database_code_amcsd 0003752
_chemical_compound_source 'Beech Creek, Grant County, Oregon'
_chemical_formula_sum 'Ca2.56 K.56 Na.5 (Si12.426 Al5.574) O66.72 H61.44'
_cell_length_a 13.000
_cell_length_b 13.000
_cell_length_c 22.676
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3318.821
_exptl_crystal_density_diffrn      2.649
_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   0.13400   0.64000   0.02700
Ca2   0.00000   0.00000   0.27600   0.64000   0.03300
K4   0.00000   0.00000   0.42200   0.28000   0.01000
Na5   0.00000   0.00000   0.50000   0.50000   0.04000
Si1   0.00050   0.23650   0.06680   0.63700   0.01300
Al1   0.00050   0.23650   0.06680   0.36300   0.01300
Si2   0.24380   0.00000   0.50000   0.79700   0.00800
Al2   0.24380   0.00000   0.50000   0.20300   0.00800
O1   0.02400   0.34600   0.10920   1.00000   0.07900
O2   0.10040  -0.10040   0.07700   1.00000   0.05300
O3   0.12690  -0.12690  -0.08300   1.00000   0.03900
O4   0.27400   0.00000   0.00000   1.00000   0.03800
O5   0.21820  -0.21820   0.17190   1.00000   0.01700
Wat1   0.15300   0.07630   0.20200   1.00000   0.02100
Wat2   0.11800   0.23700   0.29100   1.00000   0.04800
Wat3   0.15800   0.07900   0.35500   1.00000   0.07000
Wat4   0.22800   0.45600   0.26700   0.12000   0.02000