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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/9/9002508.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_9002508
_chemical_name 'Tetranatrolite'
loop_
_publ_author_name
'Evans H T'
'Konnert J A'
'Ross M'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 1808
_journal_page_last 1815
_publ_section_title
;
 The crystal structure of tetranatrolite from Mont Saint-Hilaire, Quebec, and it
 chemical and structural relationship to paranatrolite and gonnardite
;
_chemical_formula_sum '(Si2.85 Al2.15) O12.72 (Na1.7 Ca.3) H8'
_cell_length_a 13.197
_cell_length_b 13.197
_cell_length_c 6.630
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1154.686
_symmetry_space_group_name_H-M 'I -4 2 d'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-y,-x,3/4+z'
  '-y,1/2-x,1/4+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,1/2+y,1/4-z'
  '1/2-x,+y,3/4-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-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
Si1   0.00000   0.00000   0.00000   0.57000   0.02250
Al1   0.00000   0.00000   0.00000   0.43000   0.02250
Si2   0.05440   0.13300   0.62140   0.57000   0.02140
Al2   0.05440   0.13300   0.62140   0.43000   0.02140
O1   0.39440   0.25000   0.12500   1.00000   0.02200
O2   0.13330   0.06270   0.48130   1.00000   0.03200
O3   0.05060   0.09180   0.86030   1.00000   0.01500
Na   0.69140   0.25000   0.12500   0.85000   0.03200
Ca   0.69140   0.25000   0.12500   0.15000   0.03200
Wat4   0.13340   0.25000   0.12500   1.00000   0.04700
Wat5   0.87200   0.26000   0.18200   0.18000   0.03300