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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/93/9009399.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_9009399
loop_
_publ_author_name
'Baur, W. H.'
'Joswig, W.'
_publ_section_title
;The phases of natrolite occurring during dehydration and rehydration studied
 by single crystal X-ray diffraction methods between room temperature and 923
 K Locality: Khibiny, Kola peninsula, Russia Sample: T = 823 K, crystal III,
 "high natrolite"
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              171
_journal_page_last               187
_journal_volume                  1996
_journal_year                    1996
_chemical_compound_source        'Khibiny, Kola peninsula, Russia'
_chemical_formula_sum            'Al2 Na2 O10 Si3'
_chemical_name_mineral           Natrolite
_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                   17.324
_cell_length_b                   17.638
_cell_length_c                   6.416
_cell_formula_units_Z            8
_cell_volume                     1960.478
_database_code_amcsd             0014892
_diffrn_ambient_temperature      823
_exptl_crystal_density_diffrn    2.332
_cod_original_cell_volume        1960.477
_cod_original_formula_sum        'Na2 Al2 Si3 O10'
_cod_database_code               9009399
loop_
_space_group_symop_operation_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_occupancy
_atom_site_U_iso_or_equiv
Na1 0.06700 0.31200 0.30600 0.25000 0.14000
Na2 0.01700 0.32600 0.69000 0.25000 0.05600
Na3 -0.04100 0.31200 0.64700 0.25000 0.12000
Na4 0.11000 0.13600 0.06800 0.25000 0.15000
Al -0.02830 -0.10130 0.61280 1.00000 0.08000
Si1 0.00000 0.00000 -0.00200 1.00000 0.04800
Si2 -0.14630 -0.22470 0.62620 1.00000 0.07200
O1 0.02030 0.07040 0.83800 1.00000 0.15000
O2 0.05980 0.19780 0.61500 1.00000 0.09000
O3 -0.15250 -0.30290 0.71600 1.00000 0.12800
O4 0.19980 0.16260 0.74100 1.00000 0.17200
O5 0.17860 0.22450 0.40700 1.00000 0.10800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014892
