#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/38/9013819.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_9013819
loop_
_publ_author_name
'Antao, S. M.'
'Hassan, I.'
_publ_section_title
;
 Nepheline: structure of three samples from the Bancroft area, Ontario,
 obtained using synchrotron high-resolution powder x-ray diffraction
 Sample: 3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              69
_journal_page_last               80
_journal_paper_doi               10.3749/canmin.48.1.69
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Davis Hill, Bancroft area, Ontario, Canada'
_chemical_formula_sum            'Al4 K0.778 Na3 O18 Si2'
_chemical_name_mineral           Nepheline
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.99567
_cell_length_b                   9.99567
_cell_length_c                   8.37873
_cell_formula_units_Z            2
_cell_volume                     724.991
_database_code_amcsd             0006320
_exptl_crystal_density_diffrn    2.526
_cod_original_formula_sum        'K.778 Na3 Al4 Si2 O18'
_cod_database_code               9013819
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,x,1/2+z
-y,x-y,z
-x,-y,1/2+z
-x+y,-x,z
y,-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
K1 0.00000 0.00000 0.99920 0.77800 0.02090
Na1 0.44381 0.99730 0.99870 1.00000 0.02590
Al1 0.66667 0.33333 0.80350 1.00000 0.00960
Al2 0.33690 0.09480 0.31050 1.00000 0.00880
Si1 0.66667 0.33333 0.19340 1.00000 0.00960
Si2 0.33050 0.09290 0.68420 0.33333 0.00880
O1 0.71250 0.34520 0.00630 1.00000 0.02200
O2 0.31660 0.02800 0.49960 1.00000 0.02340
O3 0.51380 0.16720 0.71980 1.00000 0.02340
O4 0.51950 0.17340 0.23470 1.00000 0.02340
O5 0.26630 0.22360 0.30080 1.00000 0.02340
O6 0.28340 0.22520 0.68280 1.00000 0.02340
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006320
