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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012819.cif $
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#
# 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_9012819
loop_
_publ_author_name
'Yamnova, N. Y.'
'Pushcharovsky, D. Y.'
'Andrianov, V. I.'
'Rastsvetaeva, R. K.'
'Khomyakov, A. P.'
'Mikheeva, M. G.'
_publ_section_title
;
 A new type of silicon-oxygen group in the structure of grumantite
 Na[Si2O4(OH)]*H2O
 Locality: Lovozero massif, Kola Peninsula, Russia
;
_journal_name_full               'Soviet Physics Doklady'
_journal_page_first              284
_journal_page_last               286
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'H3 Na O6 Si2'
_chemical_name_mineral           Grumantite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.979
_cell_length_b                   18.25
_cell_length_c                   7.169
_cell_volume                     2090.600
_exptl_crystal_density_diffrn    2.264
_[local]_cod_chemical_formula_sum_orig 'Na Si2 O6 H3'
_cod_original_cell_volume        2090.601
_cod_database_code               9012819
_amcsd_database_code             AMCSD#0013736
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
1/4+x,1/4-y,1/4+z
1/4+x,3/4-y,3/4+z
3/4+x,1/4-y,3/4+z
3/4+x,3/4-y,1/4+z
1/4-x,1/4+y,1/4+z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
3/4-x,3/4+y,1/4+z
-x,1/2-y,1/2+z
-x,-y,+z
1/2-x,1/2-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_U_iso_or_equiv
Na 0.13820 0.23850 0.88680 0.01824
Si1 0.10300 0.22580 0.37530 0.00709
Si2 0.22410 0.09070 0.37190 0.00646
O1 0.16910 0.16180 0.42890 0.01343
O2 0.15890 0.02430 0.31490 0.01026
O4 0.04130 0.14520 0.96660 0.01140
O6 0.01400 0.18730 0.32330 0.00988
O-h5 0.11830 0.02530 0.95130 0.01482
Ow3 0.00790 0.08430 0.62760 0.01887
H1 0.01500 0.11200 0.72000 0.01900
H2 0.01000 0.12000 0.54000 0.01900
H3 0.09500 0.07100 0.97000 0.01900