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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/90/1009056.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_1009056
loop_
_publ_author_name
'Bezinge, A'
'Yvon, K'
'Muller, J'
'Lengauer, W'
'Ettmayer, P'
_publ_section_title
;
High-pressure high temperature experiments on delta-Mo N
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              141
_journal_page_last               145
_journal_paper_doi               10.1016/0038-1098(87)91183-5
_journal_volume                  63
_journal_year                    1987
_chemical_formula_structural     'Mo N'
_chemical_formula_sum            'Mo N'
_chemical_name_systematic        'Molybdenum nitride (1/1) - $-delta'
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   5.745(1)
_cell_length_b                   5.745
_cell_length_c                   5.622(1)
_cell_volume                     160.7
_exptl_crystal_density_meas      8.6
_refine_ls_R_factor_all          0.06
_cod_database_code               1009056
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
y-x,y,z
x,x-y,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
y,x,1/2+z
x-y,-y,1/2+z
-x,y-x,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Mo1 Mo3+ 2 a 0. 0. 0.25 1. 0 d
Mo2 Mo3+ 6 c 0.49 0.51 0.25 1. 0 d
N1 N3- 2 b 0.3333 0.6667 0.5 1. 0 d
N2 N3- 6 c 0.167 0.833 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mo3+ 3.000
N3- -3.000
