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#$Date: 2018-09-27 05:13:35 +0100 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532798.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_1532798
loop_
_publ_author_name
'Bull, C.L.'
'McMillan, P.F.'
'Soignard, E.'
'Leinenweber, K.'
_publ_section_title
;
 Determination of the crystal structure of delta-(Mo N) by neutron
 diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1488
_journal_page_last               1492
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Mo N'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   5.73659
_cell_length_b                   5.73659
_cell_length_c                   5.61884
_cell_volume                     160.135
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bull_JSSCBI_2004_1678.cif
_cod_data_source_block           Mo1N1
_cod_original_cell_volume        160.1345
_cod_original_formula_sum        'Mo1 N1'
_cod_database_code               1532798
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
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
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
N1 N-3 0.3333 0.6667 0.826381 1 0.0
Mo1 Mo+3 0 0 0.556341 1 0.0
Mo2 Mo+3 0.488531 0.511469 0.556295 1 0.0
N2 N-3 0.167583 0.832417 0.298841 1 0.0