#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/02/9000287.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_9000287
loop_
_publ_author_name
'Simmons, W. B.'
'Peacor, D. R.'
_publ_section_title
;
 Refinement of the crystal structure of a volcanic nepheline
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1711
_journal_page_last               1719
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Al3.6 K Na3 O15.999 Si4.4'
_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                   10.003
_cell_length_b                   10.003
_cell_length_c                   8.381
_cell_formula_units_Z            2
_cell_volume                     726.251
_database_code_amcsd             0000296
_exptl_crystal_density_diffrn    2.674
_cod_original_formula_sum        'Na3 K (Al3.6 Si4.4) O15.999'
_cod_database_code               9000287
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
Na 0.99720 0.44320 0.99130 1.00000
K 0.00000 0.00000 0.98930 1.00000
Al1 0.33330 0.66670 0.18770 0.51000
Si1 0.33330 0.66670 0.18770 0.49000
Si2 0.33330 0.66670 0.79900 0.58000
Al2 0.33330 0.66670 0.79900 0.42000
Si3 0.09330 0.33440 0.30900 0.84000
Al3 0.09330 0.33440 0.30900 0.16000
Al4 0.09340 0.33180 0.68240 0.73000
Si4 0.09340 0.33180 0.68240 0.27000
O1 0.33270 0.70240 0.98460 0.33300
O2 0.02690 0.31680 0.49210 1.00000
O3 0.17130 0.52350 0.72100 1.00000
O4 0.16470 0.51080 0.23930 1.00000
O5 0.22580 0.28730 0.30990 1.00000
O6 0.22290 0.26570 0.68920 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000296
