#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/50/9005056.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_9005056
loop_
_publ_author_name
'Krogh Andersen, E.'
'Krogh Andersen, I. G.'
'Ploug-Sorensen G'
_publ_section_title
;Disorder in natrolites: structure determinations of three disordered
 natrolites and one lithium-exchanged disordered natrolite Example: Na III
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              799
_journal_page_last               807
_journal_paper_doi               10.1127/ejm/2/6/0799
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum            'Al2 H4 Na2 O12 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                   18.367
_cell_length_b                   18.583
_cell_length_c                   6.599
_cell_formula_units_Z            8
_cell_volume                     2252.331
_database_code_amcsd             0006401
_exptl_crystal_density_diffrn    2.243
_cod_original_formula_sum        'Na2 Al2 Si3 O12 H4'
_cod_database_code               9005056
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_U_iso_or_equiv
Na 0.22082 0.03022 0.62050 0.01925
Al 0.03778 0.09408 0.61794 0.00684
Si1 0.00000 0.00000 0.00000 0.00912
Si2 0.15402 0.21145 0.62497 0.00811
O1 0.02289 0.06952 0.86443 0.01811
O2 0.07029 0.18096 0.61588 0.01153
O3 0.09798 0.03609 0.50568 0.01558
O4 0.20849 0.15283 0.73077 0.01621
O5 0.17991 0.22730 0.39080 0.01798
O6 0.05675 0.19050 0.11679 0.02558
H1 0.05567 0.15061 0.06727 0.02533
H2 0.09284 0.19371 0.16636 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006401
