The material structure described by Ni6In2C crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to four equivalent Ni(3), four equivalent In(1), and one C(1) atom. In the second Ni site, Ni(2) is bonded in a linear geometry to four equivalent In(1) and two equivalent C(1) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Ni(1), four equivalent Ni(3), and four equivalent In(1) atoms to form NiIn4Ni8 cuboctahedra that share corners with four equivalent Ni(3)In4Ni8 cuboctahedra, corners with four equivalent C(1)Ni6 octahedra, edges with eight equivalent In(1)Ni12 cuboctahedra, faces with four equivalent In(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)In4Ni8 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. In(1) is bonded to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Ni(3) atoms to form InNi12 cuboctahedra that share corners with twelve equivalent In(1)Ni12 cuboctahedra, edges with eight equivalent Ni(3)In4Ni8 cuboctahedra, faces with four equivalent Ni(3)In4Ni8 cuboctahedra, faces with six equivalent In(1)Ni12 cuboctahedra, and faces with four equivalent C(1)Ni6 octahedra. C(1) is bonded to two equivalent Ni(1) and four equivalent Ni(2) atoms to form CNi6 octahedra that share corners with eight equivalent Ni(3)In4Ni8 cuboctahedra, corners with four equivalent C(1)Ni6 octahedra, and faces with eight equivalent In(1)Ni12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_In2Ni6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   3.837
_cell_length_c   7.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.492
_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
  In  In0  1  0.000  0.000  0.739  1.0
  In  In1  1  0.000  0.000  0.261  1.0
  Ni  Ni2  1  0.500  0.500  0.747  1.0
  Ni  Ni3  1  0.500  0.500  0.253  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.000  1.0
  Ni  Ni7  1  0.000  0.500  0.500  1.0
  C  C8  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Ni6In2C crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to four equivalent Ni(3), four equivalent In(1), and one C(1) atom. In the second Ni site, Ni(2) is bonded in a linear geometry to four equivalent In(1) and two equivalent C(1) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Ni(1), four equivalent Ni(3), and four equivalent In(1) atoms to form NiIn4Ni8 cuboctahedra that share corners with four equivalent Ni(3)In4Ni8 cuboctahedra, corners with four equivalent C(1)Ni6 octahedra, edges with eight equivalent In(1)Ni12 cuboctahedra, faces with four equivalent In(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)In4Ni8 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. In(1) is bonded to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Ni(3) atoms to form InNi12 cuboctahedra that share corners with twelve equivalent In(1)Ni12 cuboctahedra, edges with eight equivalent Ni(3)In4Ni8 cuboctahedra, faces with four equivalent Ni(3)In4Ni8 cuboctahedra, faces with six equivalent In(1)Ni12 cuboctahedra, and faces with four equivalent C(1)Ni6 octahedra. C(1) is bonded to two equivalent Ni(1) and four equivalent Ni(2) atoms to form CNi6 octahedra that share corners with eight equivalent Ni(3)In4Ni8 cuboctahedra, corners with four equivalent C(1)Ni6 octahedra, and faces with eight equivalent In(1)Ni12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_In2Ni6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   3.837
_cell_length_c   7.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.492
_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
  In  In0  1  0.000  0.000  0.739  1.0
  In  In1  1  0.000  0.000  0.261  1.0
  Ni  Ni2  1  0.500  0.500  0.747  1.0
  Ni  Ni3  1  0.500  0.500  0.253  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.000  1.0
  Ni  Ni7  1  0.000  0.500  0.500  1.0
  C  C8  1  0.500  0.500  0.000  1.0
[/CIF]
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