#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009580.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009580
_chemical_name '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
 Locality: small cavity in andesite from Nurri, Nuoro, Sardinia
;
_chemical_formula_sum 'Ca2.759 Na.677 K.215 (Si11.7 Al6.3) O51.24 H48'
_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
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_symmetry_equiv_pos_as_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_Uiso_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