The material described by BaVN2 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 8-coordinate geometry to four 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(2) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent V(1) atoms. In the second N site, N(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaVN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   11.990
_cell_length_c   7.792
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   25.875
_symmetry_Int_Tables_number   1
_cell_volume   271.679
_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
  Ba  Ba0  1  0.000  0.168  0.569  1.0
  Ba  Ba1  1  0.000  0.832  0.431  1.0
  Ba  Ba2  1  0.000  0.332  0.069  1.0
  Ba  Ba3  1  0.000  0.668  0.931  1.0
  V  V4  1  0.000  0.444  0.642  1.0
  V  V5  1  0.000  0.556  0.358  1.0
  V  V6  1  0.000  0.056  0.142  1.0
  V  V7  1  0.000  0.944  0.858  1.0
  N  N8  1  0.000  0.102  0.912  1.0
  N  N9  1  0.000  0.898  0.088  1.0
  N  N10  1  0.000  0.398  0.412  1.0
  N  N11  1  0.000  0.602  0.588  1.0
  N  N12  1  0.500  0.633  0.750  1.0
  N  N13  1  0.500  0.867  0.250  1.0
  N  N14  1  0.500  0.367  0.250  1.0
  N  N15  1  0.500  0.133  0.750  1.0
[/CIF]
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The material described by BaVN2 crystallizes in the orthorhombic Cmce space group. Ba(1) is bonded in a 8-coordinate geometry to four 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(2) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and two equivalent V(1) atoms. In the second N site, N(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaVN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   11.990
_cell_length_c   7.792
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   25.875
_symmetry_Int_Tables_number   1
_cell_volume   271.679
_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
  Ba  Ba0  1  0.000  0.168  0.569  1.0
  Ba  Ba1  1  0.000  0.832  0.431  1.0
  Ba  Ba2  1  0.000  0.332  0.069  1.0
  Ba  Ba3  1  0.000  0.668  0.931  1.0
  V  V4  1  0.000  0.444  0.642  1.0
  V  V5  1  0.000  0.556  0.358  1.0
  V  V6  1  0.000  0.056  0.142  1.0
  V  V7  1  0.000  0.944  0.858  1.0
  N  N8  1  0.000  0.102  0.912  1.0
  N  N9  1  0.000  0.898  0.088  1.0
  N  N10  1  0.000  0.398  0.412  1.0
  N  N11  1  0.000  0.602  0.588  1.0
  N  N12  1  0.500  0.633  0.750  1.0
  N  N13  1  0.500  0.867  0.250  1.0
  N  N14  1  0.500  0.367  0.250  1.0
  N  N15  1  0.500  0.133  0.750  1.0
[/CIF]
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