#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/47/9004766.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_9004766
loop_
_publ_author_name
'Hassan, I.'
'Antao, S. M.'
'Hersi, A. A. M.'
_publ_section_title
;
 Single-crystal XRD, TEM, and thermal studies of the satellite
 reflection in nepheline
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              759
_journal_page_last               783
_journal_paper_doi               10.2113/gscanmin.41.3.759
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Al4 K0.675 Na3 O16 Si4'
_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                   9.9853
_cell_length_b                   9.9853
_cell_length_c                   8.3689
_cell_formula_units_Z            2
_cell_volume                     722.639
_database_code_amcsd             0005859
_exptl_crystal_density_diffrn    2.627
_cod_original_formula_sum        'K.675 Na3 Al4 Si4 O16'
_cod_database_code               9004766
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
K 0.00000 0.00000 0.99200 0.67500 0.02600
Na 0.44290 0.99700 0.99520 1.00000 0.02300
Al1 0.66667 0.33333 0.19070 1.00000 0.01100
Si2 0.66667 0.33333 0.80240 1.00000 0.01300
Si3 0.33390 0.09390 0.31030 1.00000 0.01200
Al4 0.33210 0.09310 0.68380 1.00000 0.01100
O1 0.71130 0.34700 0.98500 0.33333 0.03000
O2 0.31740 0.02720 0.49110 1.00000 0.02900
O3 0.52380 0.17310 0.73480 1.00000 0.03400
O4 0.50950 0.16210 0.24870 1.00000 0.03100
O5 0.28570 0.22710 0.31130 1.00000 0.02000
O6 0.26790 0.22390 0.68810 1.00000 0.02200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005859
