#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009550.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_9009550
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_[local]_cod_cif_authors_sg_H-M  'R 3 2'
loop_
_publ_author_name
'Ilyushin G D'
'Voronkov A A'
'Nevskii N N'
'Ilyukhin V V'
'Belov N V'
_publ_section_title
;
 Crystal structure of hilairite, Na2ZrSi3O9*3H2O
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1118
_journal_page_last               1120
_journal_volume                  260
_journal_year                    1981
_chemical_formula_sum            'H12 Na3.634 O24 Si6 Zr2'
_[local]_cod_chemical_formula_sum_orig 'Na3.634 Zr2 Si6 O24 H12'
_chemical_name_mineral           Hilairite
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.556
_cell_length_b                   10.556
_cell_length_c                   15.855
_cell_volume                     1530.015
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1 0.00000 0.00000 0.19700 0.80000 0.10005
Na2 0.38880 0.00000 0.50000 0.67800 0.03293
Zr1 0.00000 0.00000 0.00000 1.00000 0.01507
Zr2 0.00000 0.00000 0.50000 1.00000 0.01267
Si 0.41740 0.41280 0.24860 1.00000 0.00912
O1 0.09210 0.18460 0.07680 1.00000 0.01507
O2 0.09890 0.19020 0.57200 1.00000 0.01494
O3 0.65390 0.00000 0.00000 1.00000 0.01507
O4 0.64340 0.00000 0.50000 1.00000 0.01545
Wat 0.50000 0.14600 0.06300 1.00000 0.04597