The material described by V5N4O is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to five equivalent N(1) and one O(1) atom to form VN5O octahedra that share  a cornercorner with one V(2)N4O2 octahedra; corners with five equivalent V(1)N5O octahedra; edges with three equivalent V(2)N4O2 octahedra; and edges with nine V(1,1)N5O octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second V site, V(1) is bonded to five equivalent N(1) and one O(1) atom to form VN5O octahedra that share  a cornercorner with one V(2)N4O2 octahedra; corners with five V(1,1)N5O octahedra; edges with three equivalent V(2)N4O2 octahedra; and edges with nine V(1,1)N5O octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third V site, V(2) is bonded to four equivalent N(1) and two equivalent O(1) atoms to form VN4O2 octahedra that share corners with two equivalent V(2)N4O2 octahedra; corners with four V(1,1)N5O octahedra; and edges with twelve V(1,1)N5O octahedra. The corner-sharing octahedral tilt angles range from 0-3°. N(1) is bonded to one V(2) and five V(1,1) atoms to form NV6 octahedra that share  a cornercorner with one O(1)V6 octahedra, corners with five equivalent N(1)V6 octahedra, edges with three equivalent O(1)V6 octahedra, and edges with nine equivalent N(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. O(1) is bonded to two equivalent V(2) and four equivalent V(1) atoms to form OV6 octahedra that share corners with two equivalent O(1)V6 octahedra, corners with four equivalent N(1)V6 octahedra, and edges with twelve equivalent N(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_V5N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.300
_cell_length_b   5.300
_cell_length_c   5.300
_cell_angle_alpha   99.408
_cell_angle_beta   99.408
_cell_angle_gamma   132.303
_symmetry_Int_Tables_number   1
_cell_volume   100.702
_cell_formula_units_Z   1
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  0.693  0.890  0.584  1.0
  V  V1  1  0.890  0.307  0.197  1.0
  V  V2  1  0.110  0.693  0.803  1.0
  V  V3  1  0.307  0.110  0.416  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  N  N5  1  0.201  0.398  0.599  1.0
  N  N6  1  0.398  0.799  0.196  1.0
  N  N7  1  0.602  0.201  0.804  1.0
  N  N8  1  0.799  0.602  0.401  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by V5N4O is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to five equivalent N(1) and one O(1) atom to form VN5O octahedra that share  a cornercorner with one V(2)N4O2 octahedra; corners with five equivalent V(1)N5O octahedra; edges with three equivalent V(2)N4O2 octahedra; and edges with nine V(1,1)N5O octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second V site, V(1) is bonded to five equivalent N(1) and one O(1) atom to form VN5O octahedra that share  a cornercorner with one V(2)N4O2 octahedra; corners with five V(1,1)N5O octahedra; edges with three equivalent V(2)N4O2 octahedra; and edges with nine V(1,1)N5O octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third V site, V(2) is bonded to four equivalent N(1) and two equivalent O(1) atoms to form VN4O2 octahedra that share corners with two equivalent V(2)N4O2 octahedra; corners with four V(1,1)N5O octahedra; and edges with twelve V(1,1)N5O octahedra. The corner-sharing octahedral tilt angles range from 0-3°. N(1) is bonded to one V(2) and five V(1,1) atoms to form NV6 octahedra that share  a cornercorner with one O(1)V6 octahedra, corners with five equivalent N(1)V6 octahedra, edges with three equivalent O(1)V6 octahedra, and edges with nine equivalent N(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. O(1) is bonded to two equivalent V(2) and four equivalent V(1) atoms to form OV6 octahedra that share corners with two equivalent O(1)V6 octahedra, corners with four equivalent N(1)V6 octahedra, and edges with twelve equivalent N(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_V5N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.300
_cell_length_b   5.300
_cell_length_c   5.300
_cell_angle_alpha   99.408
_cell_angle_beta   99.408
_cell_angle_gamma   132.303
_symmetry_Int_Tables_number   1
_cell_volume   100.702
_cell_formula_units_Z   1
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  0.693  0.890  0.584  1.0
  V  V1  1  0.890  0.307  0.197  1.0
  V  V2  1  0.110  0.693  0.803  1.0
  V  V3  1  0.307  0.110  0.416  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  N  N5  1  0.201  0.398  0.599  1.0
  N  N6  1  0.398  0.799  0.196  1.0
  N  N7  1  0.602  0.201  0.804  1.0
  N  N8  1  0.799  0.602  0.401  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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