The crystal structure described by V3Zn2N crystallizes in the cubic P4_132 space group. V(1) is bonded in a bent 150 degrees geometry to six equivalent Zn(1) and two equivalent N(1) atoms. Zn(1) is bonded to nine equivalent V(1) and three equivalent Zn(1) atoms to form ZnV9Zn3 cuboctahedra that share corners with fifteen equivalent Zn(1)V9Zn3 cuboctahedra, edges with three equivalent N(1)V6 octahedra, faces with ten equivalent Zn(1)V9Zn3 cuboctahedra, and faces with four equivalent N(1)V6 octahedra. N(1) is bonded to six equivalent V(1) atoms to form distorted NV6 octahedra that share corners with six equivalent N(1)V6 octahedra, edges with six equivalent Zn(1)V9Zn3 cuboctahedra, and faces with eight equivalent Zn(1)V9Zn3 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. is represented by the CIF file [CIF]
data_V3Zn2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.578
_cell_length_b   6.578
_cell_length_c   6.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.639
_cell_formula_units_Z   4
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  0.787  0.963  0.375  1.0
  V  V1  1  0.713  0.037  0.875  1.0
  V  V2  1  0.213  0.463  0.125  1.0
  V  V3  1  0.287  0.537  0.625  1.0
  V  V4  1  0.963  0.375  0.787  1.0
  V  V5  1  0.037  0.875  0.713  1.0
  V  V6  1  0.463  0.125  0.213  1.0
  V  V7  1  0.537  0.625  0.287  1.0
  V  V8  1  0.375  0.787  0.963  1.0
  V  V9  1  0.875  0.713  0.037  1.0
  V  V10  1  0.125  0.213  0.463  1.0
  V  V11  1  0.625  0.287  0.537  1.0
  Zn  Zn12  1  0.177  0.823  0.323  1.0
  Zn  Zn13  1  0.323  0.177  0.823  1.0
  Zn  Zn14  1  0.823  0.323  0.177  1.0
  Zn  Zn15  1  0.677  0.677  0.677  1.0
  Zn  Zn16  1  0.573  0.427  0.927  1.0
  Zn  Zn17  1  0.427  0.927  0.573  1.0
  Zn  Zn18  1  0.927  0.573  0.427  1.0
  Zn  Zn19  1  0.073  0.073  0.073  1.0
  N  N20  1  0.875  0.125  0.625  1.0
  N  N21  1  0.625  0.875  0.125  1.0
  N  N22  1  0.125  0.625  0.875  1.0
  N  N23  1  0.375  0.375  0.375  1.0
[/CIF]
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The crystal structure described by V3Zn2N crystallizes in the cubic P4_132 space group. V(1) is bonded in a bent 150 degrees geometry to six equivalent Zn(1) and two equivalent N(1) atoms. Zn(1) is bonded to nine equivalent V(1) and three equivalent Zn(1) atoms to form ZnV9Zn3 cuboctahedra that share corners with fifteen equivalent Zn(1)V9Zn3 cuboctahedra, edges with three equivalent N(1)V6 octahedra, faces with ten equivalent Zn(1)V9Zn3 cuboctahedra, and faces with four equivalent N(1)V6 octahedra. N(1) is bonded to six equivalent V(1) atoms to form distorted NV6 octahedra that share corners with six equivalent N(1)V6 octahedra, edges with six equivalent Zn(1)V9Zn3 cuboctahedra, and faces with eight equivalent Zn(1)V9Zn3 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. is represented by the CIF file [CIF]
data_V3Zn2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.578
_cell_length_b   6.578
_cell_length_c   6.578
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.639
_cell_formula_units_Z   4
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  0.787  0.963  0.375  1.0
  V  V1  1  0.713  0.037  0.875  1.0
  V  V2  1  0.213  0.463  0.125  1.0
  V  V3  1  0.287  0.537  0.625  1.0
  V  V4  1  0.963  0.375  0.787  1.0
  V  V5  1  0.037  0.875  0.713  1.0
  V  V6  1  0.463  0.125  0.213  1.0
  V  V7  1  0.537  0.625  0.287  1.0
  V  V8  1  0.375  0.787  0.963  1.0
  V  V9  1  0.875  0.713  0.037  1.0
  V  V10  1  0.125  0.213  0.463  1.0
  V  V11  1  0.625  0.287  0.537  1.0
  Zn  Zn12  1  0.177  0.823  0.323  1.0
  Zn  Zn13  1  0.323  0.177  0.823  1.0
  Zn  Zn14  1  0.823  0.323  0.177  1.0
  Zn  Zn15  1  0.677  0.677  0.677  1.0
  Zn  Zn16  1  0.573  0.427  0.927  1.0
  Zn  Zn17  1  0.427  0.927  0.573  1.0
  Zn  Zn18  1  0.927  0.573  0.427  1.0
  Zn  Zn19  1  0.073  0.073  0.073  1.0
  N  N20  1  0.875  0.125  0.625  1.0
  N  N21  1  0.625  0.875  0.125  1.0
  N  N22  1  0.125  0.625  0.875  1.0
  N  N23  1  0.375  0.375  0.375  1.0
[/CIF]
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