The material described by V2CN is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second V site, V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third V site, V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth V site, V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. C(1) is bonded to six V(1,1,1) atoms to form CV6 octahedra that share corners with two equivalent N(1)V6 octahedra, corners with four equivalent C(1)V6 octahedra, edges with four equivalent C(1)V6 octahedra, and edges with eight equivalent N(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. N(1) is bonded to six V(1,1,1) atoms to form NV6 octahedra that share corners with two equivalent C(1)V6 octahedra, corners with four equivalent N(1)V6 octahedra, edges with four equivalent N(1)V6 octahedra, and edges with eight equivalent C(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.092
_cell_length_b   5.092
_cell_length_c   5.092
_cell_angle_alpha   132.048
_cell_angle_beta   132.048
_cell_angle_gamma   70.153
_symmetry_Int_Tables_number   1
_cell_volume   71.372
_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  0.758  0.758  0.000  1.0
  V  V1  1  0.242  0.242  0.000  1.0
  V  V2  1  0.992  0.492  0.500  1.0
  V  V3  1  0.508  0.008  0.500  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.750  0.250  0.500  1.0
  N  N6  1  0.500  0.500  0.000  1.0
  N  N7  1  0.250  0.750  0.500  1.0
[/CIF]
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The material described by V2CN is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second V site, V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third V site, V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth V site, V(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of corner and edge-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. C(1) is bonded to six V(1,1,1) atoms to form CV6 octahedra that share corners with two equivalent N(1)V6 octahedra, corners with four equivalent C(1)V6 octahedra, edges with four equivalent C(1)V6 octahedra, and edges with eight equivalent N(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. N(1) is bonded to six V(1,1,1) atoms to form NV6 octahedra that share corners with two equivalent C(1)V6 octahedra, corners with four equivalent N(1)V6 octahedra, edges with four equivalent N(1)V6 octahedra, and edges with eight equivalent C(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.092
_cell_length_b   5.092
_cell_length_c   5.092
_cell_angle_alpha   132.048
_cell_angle_beta   132.048
_cell_angle_gamma   70.153
_symmetry_Int_Tables_number   1
_cell_volume   71.372
_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  0.758  0.758  0.000  1.0
  V  V1  1  0.242  0.242  0.000  1.0
  V  V2  1  0.992  0.492  0.500  1.0
  V  V3  1  0.508  0.008  0.500  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.750  0.250  0.500  1.0
  N  N6  1  0.500  0.500  0.000  1.0
  N  N7  1  0.250  0.750  0.500  1.0
[/CIF]
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