#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009549.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_9009549
_chemical_name 'Catapleiite'
loop_
_publ_author_name
'Ilyushin G D'
'Voronkov A A'
'Ilyukhin V V'
'Nevskii N N'
'Belov N V'
_journal_name_full "Doklady Akademii Nauk SSSR"
_journal_volume 260
_journal_year 1981
_journal_page_first 623
_journal_page_last 627
_publ_section_title
;
 Crystal structure of natural monoclinic catapleiite, Na2ZrSi3O9*2H2O
;
_chemical_formula_sum 'Na2 Zr Si3 O11 H4'
_cell_length_a 23.917
_cell_length_b 20.148
_cell_length_c 7.432
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 147.46
_cell_volume 1926.355
_symmetry_space_group_name_H-M 'B 1 1 2/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
Na1   0.00000   0.00000   0.50000   0.66670
Na2   0.25000   0.00000   0.25000   0.66670
Na3   0.25000   0.00000   0.75000   0.66670
Na4   0.00000   0.25000   0.50590   0.66670
Na5   0.25310   0.25500   0.75680   0.66670
Zr1   0.00000   0.00000   0.00000   1.00000
Zr2   0.00000   0.25000   0.00740   1.00000
Si1   0.09760   0.22210   0.29960   1.00000
Si2   0.09950   0.22520   0.70770   1.00000
Si3   0.19720   0.57230   0.99850   1.00000
O1   0.36610   0.92330   0.49120   1.00000
O2   0.36660   0.05860   0.51000   1.00000
O3   0.04930   0.17470   0.50450   1.00000
O4   0.07110   0.12850   0.80270   1.00000
O5   0.06410   0.25580   0.80580   1.00000
O6   0.22650   0.35440   0.67790   1.00000
O7   0.06200   0.12030   0.20200   1.00000
O8   0.06900   0.26250   0.20620   1.00000
O9   0.22390   0.34550   0.32620   1.00000
Wat1   0.33150   0.03620   0.00780   1.00000
Wat2   0.33710   0.88160   0.99080   1.00000