The material structure described by VNi2N3 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 Ni(1)N5 trigonal bipyramids, edges with two equivalent V(1)N5 trigonal bipyramids, and edges with four equivalent Ni(1)N5 trigonal bipyramids. Ni(1) is bonded to one N(2) and four equivalent N(1) atoms to form NiN5 trigonal bipyramids that share corners with three equivalent V(1)N5 trigonal bipyramids, corners with five equivalent Ni(1)N5 trigonal bipyramids, edges with two equivalent V(1)N5 trigonal bipyramids, and edges with four equivalent Ni(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(2) is bonded to three equivalent V(1) and two equivalent Ni(1) atoms to form NV3Ni2 trigonal bipyramids that share corners with two equivalent N(2)V3Ni2 trigonal bipyramids, corners with six equivalent N(1)VNi4 trigonal bipyramids, edges with two equivalent N(2)V3Ni2 trigonal bipyramids, and edges with four equivalent N(1)VNi4 trigonal bipyramids. In the second N site, N(1) is bonded to one V(1) and four equivalent Ni(1) atoms to form NVNi4 trigonal bipyramids that share corners with three equivalent N(2)V3Ni2 trigonal bipyramids, corners with five equivalent N(1)VNi4 trigonal bipyramids, edges with two equivalent N(2)V3Ni2 trigonal bipyramids, and edges with four equivalent N(1)VNi4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_VNi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.666
_cell_length_b   6.203
_cell_length_c   3.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.185
_symmetry_Int_Tables_number   1
_cell_volume   117.273
_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
  V  V0  1  0.000  0.685  0.429  1.0
  V  V1  1  0.000  0.315  0.929  1.0
  Ni  Ni2  1  0.303  0.304  0.429  1.0
  Ni  Ni3  1  0.697  0.001  0.429  1.0
  Ni  Ni4  1  0.697  0.696  0.929  1.0
  Ni  Ni5  1  0.303  0.999  0.929  1.0
  N  N6  1  0.339  0.332  0.929  1.0
  N  N7  1  0.661  0.993  0.929  1.0
  N  N8  1  0.661  0.668  0.429  1.0
  N  N9  1  0.339  0.007  0.429  1.0
  N  N10  1  0.000  0.635  0.929  1.0
  N  N11  1  0.000  0.365  0.429  1.0
[/CIF]
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The material structure described by VNi2N3 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 Ni(1)N5 trigonal bipyramids, edges with two equivalent V(1)N5 trigonal bipyramids, and edges with four equivalent Ni(1)N5 trigonal bipyramids. Ni(1) is bonded to one N(2) and four equivalent N(1) atoms to form NiN5 trigonal bipyramids that share corners with three equivalent V(1)N5 trigonal bipyramids, corners with five equivalent Ni(1)N5 trigonal bipyramids, edges with two equivalent V(1)N5 trigonal bipyramids, and edges with four equivalent Ni(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(2) is bonded to three equivalent V(1) and two equivalent Ni(1) atoms to form NV3Ni2 trigonal bipyramids that share corners with two equivalent N(2)V3Ni2 trigonal bipyramids, corners with six equivalent N(1)VNi4 trigonal bipyramids, edges with two equivalent N(2)V3Ni2 trigonal bipyramids, and edges with four equivalent N(1)VNi4 trigonal bipyramids. In the second N site, N(1) is bonded to one V(1) and four equivalent Ni(1) atoms to form NVNi4 trigonal bipyramids that share corners with three equivalent N(2)V3Ni2 trigonal bipyramids, corners with five equivalent N(1)VNi4 trigonal bipyramids, edges with two equivalent N(2)V3Ni2 trigonal bipyramids, and edges with four equivalent N(1)VNi4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_VNi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.666
_cell_length_b   6.203
_cell_length_c   3.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.185
_symmetry_Int_Tables_number   1
_cell_volume   117.273
_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
  V  V0  1  0.000  0.685  0.429  1.0
  V  V1  1  0.000  0.315  0.929  1.0
  Ni  Ni2  1  0.303  0.304  0.429  1.0
  Ni  Ni3  1  0.697  0.001  0.429  1.0
  Ni  Ni4  1  0.697  0.696  0.929  1.0
  Ni  Ni5  1  0.303  0.999  0.929  1.0
  N  N6  1  0.339  0.332  0.929  1.0
  N  N7  1  0.661  0.993  0.929  1.0
  N  N8  1  0.661  0.668  0.429  1.0
  N  N9  1  0.339  0.007  0.429  1.0
  N  N10  1  0.000  0.635  0.929  1.0
  N  N11  1  0.000  0.365  0.429  1.0
[/CIF]
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