#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1009056.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
_chemical_name_systematic          'Molybdenum nitride (1/1) - $-delta'
_chemical_formula_structural       'Mo N'
_chemical_formula_sum              'Mo N'
_publ_section_title
;
High-pressure high temperature experiments on delta-Mo N
;
loop_
_publ_author_name
  'Bezinge, A'
  'Yvon, K'
  'Muller, J'
  'Lengauer, W'
  'Ettmayer, P'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    63
_journal_year                      1987
_journal_page_first                141
_journal_page_last                 145
_cell_length_a                     5.745(1)
_cell_length_b                     5.745
_cell_length_c                     5.622(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       160.7
_cell_formula_units_Z              8
_exptl_crystal_density_meas        8.6
_symmetry_space_group_name_H-M     'P 63 m c'
_symmetry_Int_Tables_number        186
_symmetry_cell_setting             hexagonal
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_type_symbol
_atom_type_oxidation_number
  Mo3+   3.000
  N3-   -3.000
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
_refine_ls_R_factor_all            0.06