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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/31/9013163.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_9013163
loop_
_publ_author_name
'Wang, H.'
'Bish, D. L.'
_publ_section_title
;
 A PH2O-dependent structural phase transition in the zeolite natrolite
 Sample: alpha1-metanatrolite at 400 C, 0.15 mbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1191
_journal_page_last               1194
_journal_paper_doi               10.2138/am.2008.2949
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Na2 O10 Si3'
_chemical_name_mineral           Natrolite
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y (1/2*z,x-1/2*z,y)'
_space_group_name_H-M_alt        'C 1 2 1 (a+2*c,a,b)'
_symmetry_space_group_name_H-M   'F 1 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                89.680
_cell_length_a                   16.167
_cell_length_b                   16.938
_cell_length_c                   6.4380
_cell_volume                     1762.933
_database_code_amcsd             0004617
_exptl_crystal_density_diffrn    2.594
_cod_depositor_comments
;
 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_original_sg_symbol_H-M      'F 1 1 2'
_cod_original_formula_sum        'Si3 Al2 Na2 O10'
_cod_database_code               9013163
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,1/2+y,1/2+z
3 1/2+x,y,1/2+z
4 1/2+x,1/2+y,z
5 -x,-y,z
6 -x,1/2-y,1/2+z
7 1/2-x,-y,1/2+z
8 1/2-x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si11 0.00000 0.00000 0.00000 0.00900
Si12 0.25000 0.25000 0.25000 0.00900
Si21 0.13560 0.23350 0.61900 0.00900
Si22 0.11220 -0.01970 0.37000 0.00900
Al11 0.02460 0.10660 0.61500 0.00900
Al12 0.26850 0.13980 0.86300 0.00900
Na1 0.06830 0.19110 0.14900 0.05100
Na2 0.29120 0.07930 0.40300 0.05100
O11 0.04200 0.06740 0.86000 0.02000
O12 0.24170 0.17160 0.11200 0.02000
O21 0.03900 0.20780 0.61400 0.02000
O22 0.20960 -0.04000 0.35900 0.02000
O31 0.09500 0.06860 0.43700 0.02000
O32 0.14760 0.30440 0.78100 0.02000
O41 0.07360 -0.07850 0.54300 0.02000
O42 0.18740 0.15700 0.69300 0.02000
O51 0.07070 -0.03810 0.14600 0.02000
O52 0.16820 0.25840 0.39300 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004617