#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001950.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_9001950
loop_
_publ_author_name
'Kahlenberg, V.'
'Bohm, H.'
_publ_section_title
;
 Crystal structure of hexagonal trinepheline - A new synthetic NaAlSiO4
 modification
;
_journal_name_full               'American Mineralogist'
_journal_page_first              631
_journal_page_last               637
_journal_volume                  83
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Na O4 Si'
_chemical_name_mineral           Nepheline
_space_group_IT_number           169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.995
_cell_length_b                   9.995
_cell_length_c                   24.797
_cell_formula_units_Z            24
_cell_volume                     2145.336
_database_code_amcsd             0002011
_exptl_crystal_density_diffrn    2.639
_cod_original_formula_sum        'Si Al Na O4'
_cod_database_code               9001950
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,x,1/6+z
-y,x-y,1/3+z
-x,-y,1/2+z
-x+y,-x,2/3+z
y,-x+y,5/6+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 0.20240 -0.69640 0.12790
Si2 0.36370 -0.29770 -0.03740
Si3 0.91220 -0.76360 -0.03500
Si4 0.13340 -0.22180 0.13580
All 0.32660 -0.90200 0.08640
Al2 0.88070 -0.75440 0.09170
Al3 0.81110 -0.29200 0.09540
Al4 0.33080 -0.35480 0.09060
Na1 0.02050 -0.43520 0.03560
Na2 0.47350 -0.55790 0.03030
Na3 0.51830 -0.44260 0.18640
Na4 0.00430 -0.98510 0.02800
O1 0.31370 -0.53710 0.09670
O2 0.05840 -0.66370 -0.07410
O3 0.02810 -0.72710 0.13620
O4 0.27650 -0.68690 0.18690
O5 0.05810 -0.24590 0.19500
O6 0.19180 -0.84130 0.09550
O7 0.68100 -0.46520 0.12640
O8 0.86170 -0.94570 -0.03940
O9 0.96000 -0.70960 0.02710
O10 0.76960 -0.74130 -0.05070
O11 0.17990 -0.35460 0.12620
O12 0.51670 -0.75150 0.09180
O13 0.28810 -0.05330 0.13030
O14 0.30240 -0.32260 0.02390
O15 0.00450 -0.24380 0.09200
O16 0.82120 -0.62340 0.10860
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002011
