The structure described by Mo2N(C) is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to four equivalent C(1) and two equivalent N(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent C(1) and four equivalent N(1) atoms. C(1) is bonded to two equivalent Mo(2) and four equivalent Mo(1) atoms to form distorted CMo6 pentagonal pyramids that share corners with four equivalent C(1)Mo6 pentagonal pyramids, corners with eight equivalent N(1)Mo6 pentagonal pyramids, edges with two equivalent C(1)Mo6 pentagonal pyramids, edges with four equivalent N(1)Mo6 pentagonal pyramids, and faces with two equivalent C(1)Mo6 pentagonal pyramids. N(1) is bonded to two equivalent Mo(1) and four equivalent Mo(2) atoms to form distorted NMo6 pentagonal pyramids that share corners with four equivalent N(1)Mo6 pentagonal pyramids, corners with eight equivalent C(1)Mo6 pentagonal pyramids, edges with two equivalent N(1)Mo6 pentagonal pyramids, edges with four equivalent C(1)Mo6 pentagonal pyramids, and faces with two equivalent N(1)Mo6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.810
_cell_length_b   2.900
_cell_length_c   5.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   40.801
_cell_formula_units_Z   1
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
  Mo  Mo0  1  0.500  0.500  0.166  1.0
  Mo  Mo1  1  0.500  0.000  0.668  1.0
  C  C2  1  0.000  0.000  0.999  1.0
  N  N3  1  0.000  0.500  0.501  1.0
[/CIF]
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The structure described by Mo2N(C) is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to four equivalent C(1) and two equivalent N(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent C(1) and four equivalent N(1) atoms. C(1) is bonded to two equivalent Mo(2) and four equivalent Mo(1) atoms to form distorted CMo6 pentagonal pyramids that share corners with four equivalent C(1)Mo6 pentagonal pyramids, corners with eight equivalent N(1)Mo6 pentagonal pyramids, edges with two equivalent C(1)Mo6 pentagonal pyramids, edges with four equivalent N(1)Mo6 pentagonal pyramids, and faces with two equivalent C(1)Mo6 pentagonal pyramids. N(1) is bonded to two equivalent Mo(1) and four equivalent Mo(2) atoms to form distorted NMo6 pentagonal pyramids that share corners with four equivalent N(1)Mo6 pentagonal pyramids, corners with eight equivalent C(1)Mo6 pentagonal pyramids, edges with two equivalent N(1)Mo6 pentagonal pyramids, edges with four equivalent C(1)Mo6 pentagonal pyramids, and faces with two equivalent N(1)Mo6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.810
_cell_length_b   2.900
_cell_length_c   5.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   40.801
_cell_formula_units_Z   1
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
  Mo  Mo0  1  0.500  0.500  0.166  1.0
  Mo  Mo1  1  0.500  0.000  0.668  1.0
  C  C2  1  0.000  0.000  0.999  1.0
  N  N3  1  0.000  0.500  0.501  1.0
[/CIF]
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