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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310412.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310412
loop_
_publ_author_name
'Jamieson, P.B.'
'Dent Glasser, L.S.'
_publ_section_title
;
 Sodium silicate hydrates. III. The crystal structure of Na2 O Si O2 (H2
 O)6 and of the isostructural Na2 O Ge O2 (H2 O)6
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              507
_journal_page_last               522
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'H12 Na2 O9 Si'
_chemical_name_systematic        'Na2 (H2 Si O4) (H2 O)5'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.57
_cell_length_b                   5.96
_cell_length_c                   6.39
_cell_volume                     430.847
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Jamieson_ACCRA9_1967_1406.cif
_cod_data_source_block           H12Na2O9Si1
_cod_original_formula_sum        'H12 Na2 O9 Si1'
_cod_database_code               2310412
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O6 O-2 0.413 0.32 0.301 1 0.0
O4 O-2 0.0807 0.26 0.279 1 0.0
Si1 Si+4 0.1258 0.0143 0.209 1 0.0
O2 O-2 0.1017 0.988 0.951 1 0.0
O9 O-2 0.1841 0.552 0.944 1 0.0
Na2 Na+1 0.1265 0.4986 0.5352 1 0.0
O3 O-2 0.0482 0.812 0.312 1 0.0
Na1 Na+1 0.3828 0.4619 0.9264 1 0.0
O8 O-2 0.419 0.853 0.058 1 0.0
O5 O-2 0.273 0.144 0.745 1 0.0
O1 O-2 0.2638 0.988 0.3362 1 0.0
O7 O-2 0.3383 0.633 0.562 1 0.0
