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#$Date: 2014-10-25 21:56:42 +0300 (Sat, 25 Oct 2014) $
#$Revision: 125874 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011345.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_9011345
loop_
_publ_author_name
'Schiferl, D.'
'Cromer, D. T.'
'Ryan, R. R.'
'Larson, A. C.'
'LeSar, R.'
'Mills, R. L.'
_publ_section_title
;
 Structure of N2 at 2.94 GPa and 300 K
 Locality: synthetic
 Sample: at T = 300 K and P = 2.94 GPa
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1151
_journal_page_last               1153
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            N2
_chemical_name_mineral           Nitrogen
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.595
_cell_length_b                   3.595
_cell_length_c                   5.845
_cell_volume                     65.420
_diffrn_ambient_pressure         2.94e+06
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    2.844
_[local]_cod_chemical_formula_sum_orig N.333
_cod_database_code               9011345
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-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
N 0.20960 0.54290 0.80530 0.33333 0.08232
_journal_paper_doi 10.1107/S0108270183007726