The material structure described by Ba3(VN2)2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. V(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing VN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent V(1) atoms. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3(VN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.527
_cell_length_b   7.856
_cell_length_c   5.908
_cell_angle_alpha   90.000
_cell_angle_beta   71.929
_cell_angle_gamma   114.350
_symmetry_Int_Tables_number   1
_cell_volume   378.783
_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
  Ba  Ba0  1  0.275  0.955  0.112  1.0
  Ba  Ba1  1  0.725  0.679  0.388  1.0
  Ba  Ba2  1  0.725  0.045  0.888  1.0
  Ba  Ba3  1  0.275  0.321  0.612  1.0
  Ba  Ba4  1  0.000  0.676  0.750  1.0
  Ba  Ba5  1  0.000  0.324  0.250  1.0
  V  V6  1  0.581  0.183  0.459  1.0
  V  V7  1  0.419  0.601  0.041  1.0
  V  V8  1  0.419  0.817  0.541  1.0
  V  V9  1  0.581  0.399  0.959  1.0
  N  N10  1  0.350  0.009  0.575  1.0
  N  N11  1  0.650  0.659  0.925  1.0
  N  N12  1  0.650  0.991  0.425  1.0
  N  N13  1  0.350  0.341  0.075  1.0
  N  N14  1  0.669  0.334  0.666  1.0
  N  N15  1  0.331  0.665  0.834  1.0
  N  N16  1  0.331  0.666  0.334  1.0
  N  N17  1  0.669  0.335  0.166  1.0
[/CIF]
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The material structure described by Ba3(VN2)2 crystallizes in the orthorhombic Imma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. V(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing VN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent V(1) atoms. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3(VN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.527
_cell_length_b   7.856
_cell_length_c   5.908
_cell_angle_alpha   90.000
_cell_angle_beta   71.929
_cell_angle_gamma   114.350
_symmetry_Int_Tables_number   1
_cell_volume   378.783
_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
  Ba  Ba0  1  0.275  0.955  0.112  1.0
  Ba  Ba1  1  0.725  0.679  0.388  1.0
  Ba  Ba2  1  0.725  0.045  0.888  1.0
  Ba  Ba3  1  0.275  0.321  0.612  1.0
  Ba  Ba4  1  0.000  0.676  0.750  1.0
  Ba  Ba5  1  0.000  0.324  0.250  1.0
  V  V6  1  0.581  0.183  0.459  1.0
  V  V7  1  0.419  0.601  0.041  1.0
  V  V8  1  0.419  0.817  0.541  1.0
  V  V9  1  0.581  0.399  0.959  1.0
  N  N10  1  0.350  0.009  0.575  1.0
  N  N11  1  0.650  0.659  0.925  1.0
  N  N12  1  0.650  0.991  0.425  1.0
  N  N13  1  0.350  0.341  0.075  1.0
  N  N14  1  0.669  0.334  0.666  1.0
  N  N15  1  0.331  0.665  0.834  1.0
  N  N16  1  0.331  0.666  0.334  1.0
  N  N17  1  0.669  0.335  0.166  1.0
[/CIF]
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