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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/95/9009550.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009550
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'
_chemical_name_mineral           Hilairite
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_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
_database_code_amcsd             0012472
_exptl_crystal_density_diffrn    2.704
_cod_original_sg_symbol_H-M      'R 3 2'
_cod_original_formula_sum        'Na3.634 Zr2 Si6 O24 H12'
_cod_database_code               9009550
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012472