The compound described by W3Ni3C crystallizes in the cubic Fd-3m space group. W(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), and two equivalent C(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent W(1) and six equivalent Ni(2) atoms to form NiNi6W6 cuboctahedra that share edges with six equivalent C(1)W6 octahedra and faces with six equivalent Ni(1)Ni6W6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to six equivalent W(1), three equivalent Ni(1), and three equivalent Ni(2) atoms. C(1) is bonded to six equivalent W(1) atoms to form CW6 octahedra that share corners with six equivalent C(1)W6 octahedra and edges with six equivalent Ni(1)Ni6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. is represented by the CIF card [CIF]
data_Ni3W3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.840
_cell_length_b   7.840
_cell_length_c   7.840
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   340.710
_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
  Ni  Ni0  1  0.625  0.125  0.125  1.0
  Ni  Ni1  1  0.125  0.625  0.125  1.0
  Ni  Ni2  1  0.125  0.125  0.625  1.0
  Ni  Ni3  1  0.125  0.125  0.125  1.0
  Ni  Ni4  1  0.255  0.915  0.915  1.0
  Ni  Ni5  1  0.915  0.255  0.915  1.0
  Ni  Ni6  1  0.915  0.915  0.255  1.0
  Ni  Ni7  1  0.915  0.915  0.915  1.0
  Ni  Ni8  1  0.995  0.335  0.335  1.0
  Ni  Ni9  1  0.335  0.995  0.335  1.0
  Ni  Ni10  1  0.335  0.335  0.995  1.0
  Ni  Ni11  1  0.335  0.335  0.335  1.0
  W  W12  1  0.707  0.707  0.293  1.0
  W  W13  1  0.293  0.293  0.707  1.0
  W  W14  1  0.707  0.293  0.707  1.0
  W  W15  1  0.293  0.707  0.293  1.0
  W  W16  1  0.293  0.707  0.707  1.0
  W  W17  1  0.707  0.293  0.293  1.0
  W  W18  1  0.543  0.543  0.957  1.0
  W  W19  1  0.957  0.957  0.543  1.0
  W  W20  1  0.543  0.957  0.543  1.0
  W  W21  1  0.957  0.543  0.957  1.0
  W  W22  1  0.957  0.543  0.543  1.0
  W  W23  1  0.543  0.957  0.957  1.0
  C  C24  1  0.125  0.625  0.625  1.0
  C  C25  1  0.625  0.125  0.625  1.0
  C  C26  1  0.625  0.625  0.125  1.0
  C  C27  1  0.625  0.625  0.625  1.0
[/CIF]
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The compound described by W3Ni3C crystallizes in the cubic Fd-3m space group. W(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), and two equivalent C(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent W(1) and six equivalent Ni(2) atoms to form NiNi6W6 cuboctahedra that share edges with six equivalent C(1)W6 octahedra and faces with six equivalent Ni(1)Ni6W6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 12-coordinate geometry to six equivalent W(1), three equivalent Ni(1), and three equivalent Ni(2) atoms. C(1) is bonded to six equivalent W(1) atoms to form CW6 octahedra that share corners with six equivalent C(1)W6 octahedra and edges with six equivalent Ni(1)Ni6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. is represented by the CIF card [CIF]
data_Ni3W3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.840
_cell_length_b   7.840
_cell_length_c   7.840
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   340.710
_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
  Ni  Ni0  1  0.625  0.125  0.125  1.0
  Ni  Ni1  1  0.125  0.625  0.125  1.0
  Ni  Ni2  1  0.125  0.125  0.625  1.0
  Ni  Ni3  1  0.125  0.125  0.125  1.0
  Ni  Ni4  1  0.255  0.915  0.915  1.0
  Ni  Ni5  1  0.915  0.255  0.915  1.0
  Ni  Ni6  1  0.915  0.915  0.255  1.0
  Ni  Ni7  1  0.915  0.915  0.915  1.0
  Ni  Ni8  1  0.995  0.335  0.335  1.0
  Ni  Ni9  1  0.335  0.995  0.335  1.0
  Ni  Ni10  1  0.335  0.335  0.995  1.0
  Ni  Ni11  1  0.335  0.335  0.335  1.0
  W  W12  1  0.707  0.707  0.293  1.0
  W  W13  1  0.293  0.293  0.707  1.0
  W  W14  1  0.707  0.293  0.707  1.0
  W  W15  1  0.293  0.707  0.293  1.0
  W  W16  1  0.293  0.707  0.707  1.0
  W  W17  1  0.707  0.293  0.293  1.0
  W  W18  1  0.543  0.543  0.957  1.0
  W  W19  1  0.957  0.957  0.543  1.0
  W  W20  1  0.543  0.957  0.543  1.0
  W  W21  1  0.957  0.543  0.957  1.0
  W  W22  1  0.957  0.543  0.543  1.0
  W  W23  1  0.543  0.957  0.957  1.0
  C  C24  1  0.125  0.625  0.625  1.0
  C  C25  1  0.625  0.125  0.625  1.0
  C  C26  1  0.625  0.625  0.125  1.0
  C  C27  1  0.625  0.625  0.625  1.0
[/CIF]
.