The material structure described by Ni10(WC)3 crystallizes in the hexagonal P6_3/mmc space group. W(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1) and two equivalent C(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent W(1) and two equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and two equivalent C(1) atoms. In the third Ni site, Ni(3) is bonded to six equivalent Ni(1) and six equivalent Ni(2) atoms to form NiNi12 cuboctahedra that share edges with six equivalent C(1)Ni4W2 octahedra and faces with two equivalent Ni(3)Ni12 cuboctahedra. C(1) is bonded to two equivalent W(1) and four equivalent Ni(2) atoms to form CNi4W2 octahedra that share corners with six equivalent C(1)Ni4W2 octahedra and edges with two equivalent Ni(3)Ni12 cuboctahedra. The corner-sharing octahedral tilt angles range from 33-43°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni10(WC)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.384
_cell_length_c   7.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   370.106
_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
  Ni  Ni0  1  0.109  0.891  0.250  1.0
  Ni  Ni1  1  0.109  0.218  0.250  1.0
  Ni  Ni2  1  0.782  0.891  0.250  1.0
  Ni  Ni3  1  0.891  0.109  0.750  1.0
  Ni  Ni4  1  0.891  0.782  0.750  1.0
  Ni  Ni5  1  0.218  0.109  0.750  1.0
  Ni  Ni6  1  0.201  0.799  0.950  1.0
  Ni  Ni7  1  0.201  0.403  0.950  1.0
  Ni  Ni8  1  0.597  0.799  0.950  1.0
  Ni  Ni9  1  0.799  0.201  0.050  1.0
  Ni  Ni10  1  0.799  0.597  0.050  1.0
  Ni  Ni11  1  0.403  0.201  0.050  1.0
  Ni  Ni12  1  0.799  0.201  0.450  1.0
  Ni  Ni13  1  0.799  0.597  0.450  1.0
  Ni  Ni14  1  0.403  0.201  0.450  1.0
  Ni  Ni15  1  0.201  0.799  0.550  1.0
  Ni  Ni16  1  0.201  0.403  0.550  1.0
  Ni  Ni17  1  0.597  0.799  0.550  1.0
  Ni  Ni18  1  0.000  0.000  0.500  1.0
  Ni  Ni19  1  0.000  0.000  0.000  1.0
  W  W20  1  0.455  0.545  0.250  1.0
  W  W21  1  0.455  0.910  0.250  1.0
  W  W22  1  0.090  0.545  0.250  1.0
  W  W23  1  0.545  0.455  0.750  1.0
  W  W24  1  0.545  0.090  0.750  1.0
  W  W25  1  0.910  0.455  0.750  1.0
  C  C26  1  0.500  0.500  0.500  1.0
  C  C27  1  0.500  0.000  0.500  1.0
  C  C28  1  0.000  0.500  0.500  1.0
  C  C29  1  0.500  0.500  0.000  1.0
  C  C30  1  0.500  0.000  0.000  1.0
  C  C31  1  0.000  0.500  0.000  1.0
[/CIF]
.
The material structure described by Ni10(WC)3 crystallizes in the hexagonal P6_3/mmc space group. W(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1) and two equivalent C(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent W(1) and two equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and two equivalent C(1) atoms. In the third Ni site, Ni(3) is bonded to six equivalent Ni(1) and six equivalent Ni(2) atoms to form NiNi12 cuboctahedra that share edges with six equivalent C(1)Ni4W2 octahedra and faces with two equivalent Ni(3)Ni12 cuboctahedra. C(1) is bonded to two equivalent W(1) and four equivalent Ni(2) atoms to form CNi4W2 octahedra that share corners with six equivalent C(1)Ni4W2 octahedra and edges with two equivalent Ni(3)Ni12 cuboctahedra. The corner-sharing octahedral tilt angles range from 33-43°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni10(WC)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.384
_cell_length_c   7.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   370.106
_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
  Ni  Ni0  1  0.109  0.891  0.250  1.0
  Ni  Ni1  1  0.109  0.218  0.250  1.0
  Ni  Ni2  1  0.782  0.891  0.250  1.0
  Ni  Ni3  1  0.891  0.109  0.750  1.0
  Ni  Ni4  1  0.891  0.782  0.750  1.0
  Ni  Ni5  1  0.218  0.109  0.750  1.0
  Ni  Ni6  1  0.201  0.799  0.950  1.0
  Ni  Ni7  1  0.201  0.403  0.950  1.0
  Ni  Ni8  1  0.597  0.799  0.950  1.0
  Ni  Ni9  1  0.799  0.201  0.050  1.0
  Ni  Ni10  1  0.799  0.597  0.050  1.0
  Ni  Ni11  1  0.403  0.201  0.050  1.0
  Ni  Ni12  1  0.799  0.201  0.450  1.0
  Ni  Ni13  1  0.799  0.597  0.450  1.0
  Ni  Ni14  1  0.403  0.201  0.450  1.0
  Ni  Ni15  1  0.201  0.799  0.550  1.0
  Ni  Ni16  1  0.201  0.403  0.550  1.0
  Ni  Ni17  1  0.597  0.799  0.550  1.0
  Ni  Ni18  1  0.000  0.000  0.500  1.0
  Ni  Ni19  1  0.000  0.000  0.000  1.0
  W  W20  1  0.455  0.545  0.250  1.0
  W  W21  1  0.455  0.910  0.250  1.0
  W  W22  1  0.090  0.545  0.250  1.0
  W  W23  1  0.545  0.455  0.750  1.0
  W  W24  1  0.545  0.090  0.750  1.0
  W  W25  1  0.910  0.455  0.750  1.0
  C  C26  1  0.500  0.500  0.500  1.0
  C  C27  1  0.500  0.000  0.500  1.0
  C  C28  1  0.000  0.500  0.500  1.0
  C  C29  1  0.500  0.500  0.000  1.0
  C  C30  1  0.500  0.000  0.000  1.0
  C  C31  1  0.000  0.500  0.000  1.0
[/CIF]
.