#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001617.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_9001617
_chemical_name 'Heulandite-Na'
loop_
_publ_author_name
'Gunter M E'
'Armbruster T'
'Kohler T'
'Knowles C R'
_journal_name_full "American Mineralogist"
_journal_volume 79
_journal_year 1994
_journal_page_first 675
_journal_page_last 682
_publ_section_title
;
 Crystal structure and optical properties of Na- and Pb-exchanged
 heulandite-group zeolites
 Sample: Na-exchanged
 Atomic parameters from ICSD
;
_chemical_formula_sum 'Na3.6 (Si13.554 Al4.446) O48.96 H9'
_cell_length_a 17.767
_cell_length_b 17.977
_cell_length_c 7.422
_cell_angle_alpha 90
_cell_angle_beta 116.14
_cell_angle_gamma 90
_cell_volume 2128.106
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-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
Na1   0.17260   0.00000   0.68900   0.80000   0.13045
Na2   0.53920   0.00000   0.24300   0.84000   0.09246
Na3   0.28390   0.00000   0.02900   0.16000   0.20391
Si1   0.17880   0.16980   0.09580   0.75300   0.01887
Al1   0.17880   0.16980   0.09580   0.24700   0.01887
Si2   0.28640   0.08920   0.49490   0.75300   0.01938
Al2   0.28640   0.08920   0.49490   0.24700   0.01938
Si3   0.29050   0.30980   0.28260   0.75300   0.01925
Al3   0.29050   0.30980   0.28260   0.24700   0.01925
Si4   0.06730   0.29780   0.41710   0.75300   0.01925
Al4   0.06730   0.29780   0.41710   0.24700   0.01925
Si5   0.00000   0.21650   0.00000   0.75300   0.02026
Al5   0.00000   0.21650   0.00000   0.24700   0.02026
O1   0.30260   0.00000   0.53700   1.00000   0.03040
O2   0.23410   0.11970   0.61820   1.00000   0.04091
O3   0.18790   0.15560   0.89100   1.00000   0.05066
O4   0.23110   0.10330   0.24980   1.00000   0.03534
O5   0.00000   0.32180   0.50000   1.00000   0.04813
O6   0.08070   0.16090   0.04930   1.00000   0.03584
O7   0.37370   0.26860   0.44920   1.00000   0.04268
O8   0.01450   0.27090   0.18620   1.00000   0.04306
O9   0.21230   0.25210   0.18750   1.00000   0.03711
O10   0.11990   0.37190   0.42120   1.00000   0.03787
O-H11   0.28390   0.00000   0.02900   0.68000   0.20391
O-H12   0.50000   0.00000   0.50000   1.00000   0.17225
O-H13   0.42200   0.08140   0.03500   1.00000   0.16591
O-H14   0.07400   0.00000   0.04000   0.56000   0.34069
O-H15   0.08200   0.00000   0.27100   1.00000   0.32169
O-H16   0.07200  -0.02900   0.75800   0.37000   0.14996
O17   0.00000   0.10000   0.50000   1.00000   0.28117