The material described by V4WC5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent C(1) and three equivalent C(3) atoms to form VC6 octahedra that share corners with three equivalent V(2)C6 octahedra, corners with three equivalent W(1)C6 octahedra, edges with three equivalent V(2)C6 octahedra, edges with three equivalent W(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second V site, V(2) is bonded to three equivalent C(1) and three equivalent C(2) atoms to form a mixture of corner and edge-sharing VC6 octahedra. The corner-sharing octahedra are not tilted. W(1) is bonded to six equivalent C(3) atoms to form WC6 octahedra that share corners with six equivalent V(1)C6 octahedra, edges with six equivalent V(1)C6 octahedra, and edges with six equivalent W(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent C sites. In the first C site, C(1) is bonded to three equivalent V(1) and three equivalent V(2) atoms to form CV6 octahedra that share corners with three equivalent C(3)V3W3 octahedra, corners with three equivalent C(2)V6 octahedra, edges with three equivalent C(3)V3W3 octahedra, edges with three equivalent C(2)V6 octahedra, and edges with six equivalent C(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second C site, C(2) is bonded to six equivalent V(2) atoms to form a mixture of corner and edge-sharing CV6 octahedra. The corner-sharing octahedra are not tilted. In the third C site, C(3) is bonded to three equivalent V(1) and three equivalent W(1) atoms to form CV3W3 octahedra that share corners with three equivalent C(3)V3W3 octahedra, corners with three equivalent C(1)V6 octahedra, edges with three equivalent C(1)V6 octahedra, and edges with nine equivalent C(3)V3W3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_V4WC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.302
_cell_length_b   12.302
_cell_length_c   12.302
_cell_angle_alpha   13.876
_cell_angle_beta   13.876
_cell_angle_gamma   13.876
_symmetry_Int_Tables_number   1
_cell_volume   93.177
_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  0.598  0.598  0.598  1.0
  V  V1  1  0.200  0.200  0.200  1.0
  V  V2  1  0.800  0.800  0.800  1.0
  V  V3  1  0.402  0.402  0.402  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.101  0.101  0.101  1.0
  C  C6  1  0.899  0.899  0.899  1.0
  C  C7  1  0.500  0.500  0.500  1.0
  C  C8  1  0.703  0.703  0.703  1.0
  C  C9  1  0.297  0.297  0.297  1.0
[/CIF]
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The material described by V4WC5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent C(1) and three equivalent C(3) atoms to form VC6 octahedra that share corners with three equivalent V(2)C6 octahedra, corners with three equivalent W(1)C6 octahedra, edges with three equivalent V(2)C6 octahedra, edges with three equivalent W(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second V site, V(2) is bonded to three equivalent C(1) and three equivalent C(2) atoms to form a mixture of corner and edge-sharing VC6 octahedra. The corner-sharing octahedra are not tilted. W(1) is bonded to six equivalent C(3) atoms to form WC6 octahedra that share corners with six equivalent V(1)C6 octahedra, edges with six equivalent V(1)C6 octahedra, and edges with six equivalent W(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent C sites. In the first C site, C(1) is bonded to three equivalent V(1) and three equivalent V(2) atoms to form CV6 octahedra that share corners with three equivalent C(3)V3W3 octahedra, corners with three equivalent C(2)V6 octahedra, edges with three equivalent C(3)V3W3 octahedra, edges with three equivalent C(2)V6 octahedra, and edges with six equivalent C(1)V6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second C site, C(2) is bonded to six equivalent V(2) atoms to form a mixture of corner and edge-sharing CV6 octahedra. The corner-sharing octahedra are not tilted. In the third C site, C(3) is bonded to three equivalent V(1) and three equivalent W(1) atoms to form CV3W3 octahedra that share corners with three equivalent C(3)V3W3 octahedra, corners with three equivalent C(1)V6 octahedra, edges with three equivalent C(1)V6 octahedra, and edges with nine equivalent C(3)V3W3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_V4WC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.302
_cell_length_b   12.302
_cell_length_c   12.302
_cell_angle_alpha   13.876
_cell_angle_beta   13.876
_cell_angle_gamma   13.876
_symmetry_Int_Tables_number   1
_cell_volume   93.177
_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  0.598  0.598  0.598  1.0
  V  V1  1  0.200  0.200  0.200  1.0
  V  V2  1  0.800  0.800  0.800  1.0
  V  V3  1  0.402  0.402  0.402  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.101  0.101  0.101  1.0
  C  C6  1  0.899  0.899  0.899  1.0
  C  C7  1  0.500  0.500  0.500  1.0
  C  C8  1  0.703  0.703  0.703  1.0
  C  C9  1  0.297  0.297  0.297  1.0
[/CIF]
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