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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009463.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_9009463
loop_
_publ_author_name
'Yamada, H.'
'Matsui, Y.'
'Ito, E.'
_publ_section_title
;
 Crystal-chemical characterization of NaAlSiO4 with the CaFe2O4 structure
 Note: z-coordinate of O4 altered to reproduce bond lengths
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              177
_journal_page_last               181
_journal_paper_doi               10.1180/minmag.1983.047.343.07
_journal_volume                  47
_journal_year                    1983
_chemical_formula_sum            'Al Na O4 Si'
_chemical_name_mineral           Nepheline
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1546
_cell_length_b                   8.6642
_cell_length_c                   2.7385
_cell_formula_units_Z            4
_cell_volume                     240.937
_database_code_amcsd             0014477
_exptl_crystal_density_diffrn    3.916
_cod_original_formula_sum        'Na (Al Si) O4'
_cod_database_code               9009463
_amcsd_formula_title             NaAlSiO4
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-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
Na 0.66100 0.76400 0.75000 1.00000 0.00760
AlM1 0.89000 0.57700 0.25000 0.50000 0.00633
SiM1 0.89000 0.57700 0.25000 0.50000 0.00633
AlM2 0.39800 0.55600 0.25000 0.50000 0.00633
SiM2 0.39800 0.55600 0.25000 0.50000 0.00633
O1 0.36500 0.69700 0.75000 1.00000 0.00760
O2 0.01800 0.61200 0.75000 1.00000 0.00760
O3 0.20100 0.46100 0.25000 1.00000 0.00760
O4 0.43000 0.43800 0.75000 1.00000 0.00760
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014477
