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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000646.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_9000646
_chemical_name 'Analcime'
loop_
_publ_author_name
'Mazzi F'
'Galli E'
_journal_name_full "American Mineralogist"
_journal_volume 63
_journal_year 1978
_journal_page_first 448
_journal_page_last 460
_publ_section_title
;
 Is each analcime different?
 ANA 5
;
_chemical_formula_sum '(Al2 Si4) Na2.04 O14 H4'
_cell_length_a 13.728
_cell_length_b 13.728
_cell_length_c 13.722
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2586.021
_symmetry_space_group_name_H-M 'I 41/a c d'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+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'
  '3/4+y,1/4+x,1/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-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'
  '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'
  '3/4-y,3/4-x,3/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-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_Uiso_or_equiv
Al1   0.12510   0.16230   0.41220   0.35000   0.01115
Si1   0.12510   0.16230   0.41220   0.65000   0.01115
Si2   0.16240   0.41240   0.12500   0.70000   0.01051
Al2   0.16240   0.41240   0.12500   0.30000   0.01051
Na1   0.12480   0.00000   0.25000   0.73000   0.03977
Na2   0.00000   0.25000   0.12500   0.58000   0.03546
O1   0.10440   0.36650   0.21940   1.00000   0.02913
O2   0.21960   0.10410   0.36490   1.00000   0.02964
O3   0.36540   0.21940   0.10430   1.00000   0.02824
Wat   0.12380   0.12620   0.12500   1.00000   0.08346