The material structure described by NaVN2 crystallizes in the orthorhombic Cmce space group. Na(1) is bonded in a 5-coordinate geometry to one 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 6-coordinate geometry to four equivalent Na(1) and two equivalent V(1) atoms. In the second N site, N(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_NaVN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.570
_cell_length_b   11.783
_cell_length_c   6.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   26.273
_symmetry_Int_Tables_number   1
_cell_volume   233.069
_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
  Na  Na0  1  0.000  0.177  0.571  1.0
  Na  Na1  1  0.000  0.823  0.429  1.0
  Na  Na2  1  0.000  0.323  0.071  1.0
  Na  Na3  1  0.000  0.677  0.929  1.0
  V  V4  1  0.000  0.429  0.644  1.0
  V  V5  1  0.000  0.571  0.356  1.0
  V  V6  1  0.000  0.071  0.144  1.0
  V  V7  1  0.000  0.929  0.856  1.0
  N  N8  1  0.000  0.082  0.881  1.0
  N  N9  1  0.000  0.918  0.119  1.0
  N  N10  1  0.000  0.418  0.381  1.0
  N  N11  1  0.000  0.582  0.619  1.0
  N  N12  1  0.500  0.612  0.750  1.0
  N  N13  1  0.500  0.888  0.250  1.0
  N  N14  1  0.500  0.388  0.250  1.0
  N  N15  1  0.500  0.112  0.750  1.0
[/CIF]
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The material structure described by NaVN2 crystallizes in the orthorhombic Cmce space group. Na(1) is bonded in a 5-coordinate geometry to one 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 6-coordinate geometry to four equivalent Na(1) and two equivalent V(1) atoms. In the second N site, N(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_NaVN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.570
_cell_length_b   11.783
_cell_length_c   6.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   26.273
_symmetry_Int_Tables_number   1
_cell_volume   233.069
_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
  Na  Na0  1  0.000  0.177  0.571  1.0
  Na  Na1  1  0.000  0.823  0.429  1.0
  Na  Na2  1  0.000  0.323  0.071  1.0
  Na  Na3  1  0.000  0.677  0.929  1.0
  V  V4  1  0.000  0.429  0.644  1.0
  V  V5  1  0.000  0.571  0.356  1.0
  V  V6  1  0.000  0.071  0.144  1.0
  V  V7  1  0.000  0.929  0.856  1.0
  N  N8  1  0.000  0.082  0.881  1.0
  N  N9  1  0.000  0.918  0.119  1.0
  N  N10  1  0.000  0.418  0.381  1.0
  N  N11  1  0.000  0.582  0.619  1.0
  N  N12  1  0.500  0.612  0.750  1.0
  N  N13  1  0.500  0.888  0.250  1.0
  N  N14  1  0.500  0.388  0.250  1.0
  N  N15  1  0.500  0.112  0.750  1.0
[/CIF]
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