The material described by MoMnN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded in a 6-coordinate geometry to six equivalent N(1) atoms. Mn(1) is bonded to six equivalent N(1) atoms to form edge-sharing MnN6 octahedra. N(1) is bonded to three equivalent Mo(1) and three equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing NMn3Mo3 pentagonal pyramids. is represented by the CIF card [CIF]
data_MnMoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.925
_cell_length_b   2.925
_cell_length_c   11.113
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   82.337
_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
  Mn  Mn0  1  0.000  0.000  0.500  1.0
  Mn  Mn1  1  1.000  1.000  0.000  1.0
  Mo  Mo2  1  1.000  0.000  0.250  1.0
  Mo  Mo3  1  0.000  1.000  0.750  1.0
  N  N4  1  0.333  0.667  0.367  1.0
  N  N5  1  0.667  0.333  0.866  1.0
  N  N6  1  0.333  0.667  0.134  1.0
  N  N7  1  0.667  0.333  0.633  1.0
[/CIF]
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The material described by MoMnN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded in a 6-coordinate geometry to six equivalent N(1) atoms. Mn(1) is bonded to six equivalent N(1) atoms to form edge-sharing MnN6 octahedra. N(1) is bonded to three equivalent Mo(1) and three equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing NMn3Mo3 pentagonal pyramids. is represented by the CIF card [CIF]
data_MnMoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.925
_cell_length_b   2.925
_cell_length_c   11.113
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   82.337
_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
  Mn  Mn0  1  0.000  0.000  0.500  1.0
  Mn  Mn1  1  1.000  1.000  0.000  1.0
  Mo  Mo2  1  1.000  0.000  0.250  1.0
  Mo  Mo3  1  0.000  1.000  0.750  1.0
  N  N4  1  0.333  0.667  0.367  1.0
  N  N5  1  0.667  0.333  0.866  1.0
  N  N6  1  0.333  0.667  0.134  1.0
  N  N7  1  0.667  0.333  0.633  1.0
[/CIF]
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