#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/50/9005057.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_9005057
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: Li II
;
_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                   17.704
_cell_length_b                   18.540
_cell_length_c                   6.495
_cell_formula_units_Z            8
_cell_volume                     2131.868
_database_code_amcsd             0006402
_exptl_crystal_density_diffrn    2.369
_cod_original_formula_sum        'Na2 Al2 Si3 O12 H4'
_cod_database_code               9005057
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 0.21741 0.04133 0.62911 0.02850
Al 0.03634 0.09378 0.61732 0.00811
Si1 0.00000 0.00000 0.00000 0.01013
Si2 0.14928 0.21576 0.62275 0.00963
O1 0.01118 0.07259 0.86229 0.02014
O2 0.06507 0.18149 0.60570 0.01532
O3 0.10470 0.03534 0.52832 0.01697
O4 0.20910 0.15562 0.70626 0.01722
O5 0.17395 0.24112 0.39022 0.01950
O6 0.04165 0.20075 0.11604 0.02786
H1 0.04090 0.15950 0.02110 0.02533
H2 0.09090 0.19730 0.15790 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006402
