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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014238.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_9014238
loop_
_publ_author_name
'Elder, S.'
'Doerrer, L.'
'DiSalvo, F.'
'Parise, J.'
'Guyomard, D.'
'Tarascon, J.'
_publ_section_title
;
 LiMoN2: the first metallic layered nitride
 _cod_database_code 1005011
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              928
_journal_page_last               937
_journal_volume                  4
_journal_year                    1992
_chemical_formula_sum            'Li0.5 Mo0.5 N'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.8674
_cell_length_b                   2.8674
_cell_length_c                   15.801
_cell_formula_units_Z            6
_cell_volume                     112.510
_database_code_amcsd             0012199
_exptl_crystal_density_diffrn    5.796
_cod_duplicate_entry             1005011
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        '(Mo.5 Li.5) N'
_cod_database_code               9014238
_amcsd_formula_title             'Li Mo N2'
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo1 0.00000 0.00000 0.00000 0.85000
Li1 0.00000 0.00000 0.00000 0.15000
Mo2 0.00000 0.00000 0.82900 0.15000
Li2 0.00000 0.00000 0.82900 0.85000
N1 0.00000 0.00000 0.25200 1.00000
N2 0.00000 0.00000 0.41410 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012199
