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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001612.cif $
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#
# 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_9001612
loop_
_publ_author_name
'Zhao, Y. S.'
'Parise, J. B.'
'Wang, Y.'
'Kusaba, K.'
'Vaughan, M. T.'
'Weidner, D. J.'
'Kikegawa, T.'
'Chen, J.'
'Shimomura, O.'
_publ_section_title
;
 High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
 diffraction study using monochromatic synchrotron X-radiation
 P = room pressure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              615
_journal_page_last               621
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3603
_cell_length_b                   5.4884
_cell_length_c                   7.666
_cell_volume                     225.530
_exptl_crystal_density_diffrn    3.071
_[local]_cod_chemical_formula_sum_orig 'Na Mg F3'
_cod_database_code               9001612
_amcsd_database_code             AMCSD#0001663
loop_
_symmetry_equiv_pos_as_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_U_iso_or_equiv
Na 0.98510 0.04550 0.25000 0.04200
Mg 0.00000 0.50000 0.00000 0.02600
F1 0.08800 0.47400 0.25000 0.03300
F2 0.70220 0.29460 0.04800 0.03200