The material described by MgMoN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to six equivalent N(1) atoms to form MgN6 octahedra that share corners with six equivalent Mo(1)N6 pentagonal pyramids, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Mo(1)N6 pentagonal pyramids. Mo(1) is bonded to six equivalent N(1) atoms to form distorted MoN6 pentagonal pyramids that share corners with six equivalent Mg(1)N6 octahedra, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Mo(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Mg(1) and three equivalent Mo(1) atoms to form a mixture of corner, edge, and face-sharing NMg3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the CIF card [CIF]
data_MgMoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.911
_cell_length_b   2.911
_cell_length_c   10.526
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   77.239
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.667  0.333  0.250  1.0
  Mo  Mo3  1  0.333  0.667  0.750  1.0
  N  N4  1  0.333  0.667  0.127  1.0
  N  N5  1  0.333  0.667  0.373  1.0
  N  N6  1  0.667  0.333  0.627  1.0
  N  N7  1  0.667  0.333  0.873  1.0
[/CIF]
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The material described by MgMoN2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to six equivalent N(1) atoms to form MgN6 octahedra that share corners with six equivalent Mo(1)N6 pentagonal pyramids, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Mo(1)N6 pentagonal pyramids. Mo(1) is bonded to six equivalent N(1) atoms to form distorted MoN6 pentagonal pyramids that share corners with six equivalent Mg(1)N6 octahedra, edges with six equivalent Mg(1)N6 octahedra, and edges with six equivalent Mo(1)N6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. N(1) is bonded to three equivalent Mg(1) and three equivalent Mo(1) atoms to form a mixture of corner, edge, and face-sharing NMg3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the CIF card [CIF]
data_MgMoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.911
_cell_length_b   2.911
_cell_length_c   10.526
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   77.239
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.667  0.333  0.250  1.0
  Mo  Mo3  1  0.333  0.667  0.750  1.0
  N  N4  1  0.333  0.667  0.127  1.0
  N  N5  1  0.333  0.667  0.373  1.0
  N  N6  1  0.667  0.333  0.627  1.0
  N  N7  1  0.667  0.333  0.873  1.0
[/CIF]
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