The crystal structure described by VMn2N3 crystallizes in the orthorhombic Cmcm space group. V(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form VN5 trigonal bipyramids that share corners with two equivalent V(1)N5 trigonal bipyramids, corners with six equivalent Mn(1)N5 trigonal bipyramids, edges with two equivalent V(1)N5 trigonal bipyramids, and edges with four equivalent Mn(1)N5 trigonal bipyramids. Mn(1) is bonded to one N(2) and four equivalent N(1) atoms to form MnN5 trigonal bipyramids that share corners with three equivalent V(1)N5 trigonal bipyramids, corners with five equivalent Mn(1)N5 trigonal bipyramids, edges with two equivalent V(1)N5 trigonal bipyramids, and edges with four equivalent Mn(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one V(1) and four equivalent Mn(1) atoms to form NMn4V trigonal bipyramids that share corners with three equivalent N(2)Mn2V3 trigonal bipyramids, corners with five equivalent N(1)Mn4V trigonal bipyramids, edges with two equivalent N(2)Mn2V3 trigonal bipyramids, and edges with four equivalent N(1)Mn4V trigonal bipyramids. In the second N site, N(2) is bonded to three equivalent V(1) and two equivalent Mn(1) atoms to form NMn2V3 trigonal bipyramids that share corners with two equivalent N(2)Mn2V3 trigonal bipyramids, corners with six equivalent N(1)Mn4V trigonal bipyramids, edges with two equivalent N(2)Mn2V3 trigonal bipyramids, and edges with four equivalent N(1)Mn4V trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.870
_cell_length_b   6.021
_cell_length_c   4.025
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.855
_symmetry_Int_Tables_number   1
_cell_volume   122.105
_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  0.323  0.327  0.429  1.0
  Mn  Mn1  1  0.677  0.004  0.429  1.0
  Mn  Mn2  1  0.677  0.673  0.929  1.0
  Mn  Mn3  1  0.323  0.996  0.929  1.0
  V  V4  1  0.000  0.677  0.429  1.0
  V  V5  1  0.000  0.323  0.929  1.0
  N  N6  1  0.336  0.334  0.929  1.0
  N  N7  1  0.664  0.998  0.929  1.0
  N  N8  1  0.664  0.666  0.429  1.0
  N  N9  1  0.336  0.002  0.429  1.0
  N  N10  1  0.000  0.648  0.929  1.0
  N  N11  1  0.000  0.352  0.429  1.0
[/CIF]
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The crystal structure described by VMn2N3 crystallizes in the orthorhombic Cmcm space group. V(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form VN5 trigonal bipyramids that share corners with two equivalent V(1)N5 trigonal bipyramids, corners with six equivalent Mn(1)N5 trigonal bipyramids, edges with two equivalent V(1)N5 trigonal bipyramids, and edges with four equivalent Mn(1)N5 trigonal bipyramids. Mn(1) is bonded to one N(2) and four equivalent N(1) atoms to form MnN5 trigonal bipyramids that share corners with three equivalent V(1)N5 trigonal bipyramids, corners with five equivalent Mn(1)N5 trigonal bipyramids, edges with two equivalent V(1)N5 trigonal bipyramids, and edges with four equivalent Mn(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one V(1) and four equivalent Mn(1) atoms to form NMn4V trigonal bipyramids that share corners with three equivalent N(2)Mn2V3 trigonal bipyramids, corners with five equivalent N(1)Mn4V trigonal bipyramids, edges with two equivalent N(2)Mn2V3 trigonal bipyramids, and edges with four equivalent N(1)Mn4V trigonal bipyramids. In the second N site, N(2) is bonded to three equivalent V(1) and two equivalent Mn(1) atoms to form NMn2V3 trigonal bipyramids that share corners with two equivalent N(2)Mn2V3 trigonal bipyramids, corners with six equivalent N(1)Mn4V trigonal bipyramids, edges with two equivalent N(2)Mn2V3 trigonal bipyramids, and edges with four equivalent N(1)Mn4V trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.870
_cell_length_b   6.021
_cell_length_c   4.025
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.855
_symmetry_Int_Tables_number   1
_cell_volume   122.105
_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  0.323  0.327  0.429  1.0
  Mn  Mn1  1  0.677  0.004  0.429  1.0
  Mn  Mn2  1  0.677  0.673  0.929  1.0
  Mn  Mn3  1  0.323  0.996  0.929  1.0
  V  V4  1  0.000  0.677  0.429  1.0
  V  V5  1  0.000  0.323  0.929  1.0
  N  N6  1  0.336  0.334  0.929  1.0
  N  N7  1  0.664  0.998  0.929  1.0
  N  N8  1  0.664  0.666  0.429  1.0
  N  N9  1  0.336  0.002  0.429  1.0
  N  N10  1  0.000  0.648  0.929  1.0
  N  N11  1  0.000  0.352  0.429  1.0
[/CIF]
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