#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007470.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_9007470
_chemical_name 'Phillipsite-Na'
loop_
_publ_author_name
'Steinfink H'
_journal_name_full "Acta Crystallographica"
_journal_volume 15
_journal_year 1962
_journal_page_first 644
_journal_page_last 651
_publ_section_title
;
 The crystal structure of the zeolite, phillipsite
 Locality: pelagic sediments of the Pacific Ocean
;
_chemical_formula_sum 'Na2 K.5 (Al2.48 Si5.52) O21 H20'
_cell_length_a 9.965
_cell_length_b 14.252
_cell_length_c 14.252
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2024.086
_symmetry_space_group_name_H-M 'B 2 m b'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  'x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  'x,-y,-z'
  '1/2+x,-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
Na1   0.00540   0.25000   0.86000   0.50000   0.04433
Na2   0.38710   0.12420  -0.00010   0.75000   0.06966
K1   0.00540   0.25000   0.86000   0.50000   0.04433
Al1   0.15170   0.01650   0.89200   0.31000   0.02533
Si1   0.15170   0.01650   0.89200   0.69000   0.02533
Al2   0.83400   0.01700   0.89030   0.31000   0.02533
Si2   0.83400   0.01700   0.89030   0.69000   0.02533
Al3   0.33560   0.86100   0.23760   0.31000   0.02660
Si3   0.33560   0.86100   0.23760   0.69000   0.02660
Al4   0.64770   0.85970   0.23660   0.31000   0.02533
Si4   0.64770   0.85970   0.23660   0.69000   0.02533
O1   0.81590   0.08540   0.15990   1.00000   0.03546
O2   0.76590   0.10270   0.84350   1.00000   0.04559
O3   0.25190   0.10120   0.85140   1.00000   0.04053
O4   0.18150   0.07730   0.17170   1.00000   0.03040
O5   0.99960   0.04690   0.88720   1.00000   0.03420
O6   0.50350   0.87510   0.20290   1.00000   0.03800
O7   0.19450   0.00000   0.00000   1.00000   0.02533
O8   0.78600   0.00000   0.00000   1.00000   0.03800
O9   0.31870   0.25000   0.73850   1.00000   0.04053
O10   0.69720   0.25000   0.74910   1.00000   0.05446
Wat1   0.53560   0.25000   0.98480   1.00000   0.08359
Wat2   0.62020   0.13770   0.03790   0.50000   0.06586
Wat3   0.50300   0.12670   0.15720   0.50000   0.08359
Wat4   0.38710   0.12420  -0.00010   0.25000   0.06966
Wat5   0.20000   0.25000   0.02610   0.50000   0.02406
Wat6   0.82050   0.25000   0.02630   0.50000   0.04306
Wat7   0.53680   0.25000   0.81070   0.50000   0.08359