#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104186.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8104186
loop_
_publ_author_name
'Foreman, N.'
'Peacor, D.R.'
_publ_section_title
;
 Refinement of the nepheline structure at several temperatures
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              45
_journal_page_last               70
_journal_volume                  132
_journal_year                    1970
_chemical_formula_sum            'Al3.52 K Na3 O16 Si4.48'
_chemical_name_systematic        'Na3 K (Si0.56 Al0.44)8 O16'
_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_formula_units_Z            2
_cell_length_a                   10.06
_cell_length_b                   10.06
_cell_length_c                   8.42
_cell_volume                     737.970
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Foreman_ZEKGAX_1970_357.cif
_cod_data_source_block           Al3.52K1Na3O16Si4.48
_cod_original_cell_volume        737.97
_cod_original_formula_sum        'Al3.52 K1 Na3 O16 Si4.48'
_cod_database_code               8104186
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O3 O-2 0.5221 0.172 0.7401 1 0.0
O1 O-2 0.7011 0.3357 0.986 0.3333 0.0
O6 O-2 0.2611 0.2195 0.6966 1 0.0
O4 O-2 0.5099 0.1653 0.2571 1 0.0
Na1 Na+1 0.4436 0.9964 0.9952 1 0.0
O5 O-2 0.2902 0.2318 0.3127 1 0.0
K1 K+1 0 0 0.9966 1 0.0
O2 O-2 0.3163 0.0293 0.4909 1 0.0
Al4 Al+3 0.3329 0.0933 0.6824 0.82 0.0
Si2 Si+4 0.6667 0.3333 0.7995 0.86 0.0
Si1 Si+4 0.6667 0.3333 0.1872 0.3 0.0
Si4 Si+4 0.3329 0.0933 0.6824 0.18 0.0
Si3 Si+4 0.3336 0.0957 0.3095 0.92 0.0
Al1 Al+3 0.6667 0.3333 0.1872 0.7 0.0
Al2 Al+3 0.6667 0.3333 0.7995 0.14 0.0
Al3 Al+3 0.3336 0.0957 0.3095 0.08 0.0
