The crystal structure described by RuNiSb6 is Skutterudite-derived structured and crystallizes in the monoclinic C2/m space group. Ru(1) is bonded to two equivalent Sb(1), two equivalent Sb(3), and two equivalent Sb(4) atoms to form RuSb6 octahedra that share corners with two equivalent Ru(1)Sb6 octahedra and corners with four equivalent Ni(1)Sb6 octahedra. The corner-sharing octahedral tilt angles are 54°. Ni(1) is bonded to two equivalent Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms to form NiSb6 octahedra that share corners with two equivalent Ni(1)Sb6 octahedra and corners with four equivalent Ru(1)Sb6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to two equivalent Ru(1) and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Ru(1), one Ni(1), and two equivalent Sb(3) atoms. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one Ru(1), one Ni(1), and two equivalent Sb(4) atoms. is represented by the CIF file [CIF]
data_NiSb6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.960
_cell_length_b   7.960
_cell_length_c   9.214
_cell_angle_alpha   55.116
_cell_angle_beta   55.116
_cell_angle_gamma   71.028
_symmetry_Int_Tables_number   1
_cell_volume   392.862
_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  0.000  0.500  0.500  1.0
  Ni  Ni1  1  0.500  0.000  0.500  1.0
  Sb  Sb2  1  0.156  0.156  0.179  1.0
  Sb  Sb3  1  0.844  0.844  0.821  1.0
  Sb  Sb4  1  0.843  0.843  0.497  1.0
  Sb  Sb5  1  0.157  0.157  0.503  1.0
  Sb  Sb6  1  0.819  0.506  0.339  1.0
  Sb  Sb7  1  0.181  0.494  0.661  1.0
  Sb  Sb8  1  0.506  0.819  0.339  1.0
  Sb  Sb9  1  0.494  0.181  0.661  1.0
  Sb  Sb10  1  0.665  0.341  0.841  1.0
  Sb  Sb11  1  0.335  0.659  0.159  1.0
  Sb  Sb12  1  0.659  0.335  0.159  1.0
  Sb  Sb13  1  0.341  0.665  0.841  1.0
  Ru  Ru14  1  0.000  0.500  0.000  1.0
  Ru  Ru15  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by RuNiSb6 is Skutterudite-derived structured and crystallizes in the monoclinic C2/m space group. Ru(1) is bonded to two equivalent Sb(1), two equivalent Sb(3), and two equivalent Sb(4) atoms to form RuSb6 octahedra that share corners with two equivalent Ru(1)Sb6 octahedra and corners with four equivalent Ni(1)Sb6 octahedra. The corner-sharing octahedral tilt angles are 54°. Ni(1) is bonded to two equivalent Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms to form NiSb6 octahedra that share corners with two equivalent Ni(1)Sb6 octahedra and corners with four equivalent Ru(1)Sb6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to two equivalent Ru(1) and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Ru(1), one Ni(1), and two equivalent Sb(3) atoms. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one Ru(1), one Ni(1), and two equivalent Sb(4) atoms. is represented by the CIF file [CIF]
data_NiSb6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.960
_cell_length_b   7.960
_cell_length_c   9.214
_cell_angle_alpha   55.116
_cell_angle_beta   55.116
_cell_angle_gamma   71.028
_symmetry_Int_Tables_number   1
_cell_volume   392.862
_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  0.000  0.500  0.500  1.0
  Ni  Ni1  1  0.500  0.000  0.500  1.0
  Sb  Sb2  1  0.156  0.156  0.179  1.0
  Sb  Sb3  1  0.844  0.844  0.821  1.0
  Sb  Sb4  1  0.843  0.843  0.497  1.0
  Sb  Sb5  1  0.157  0.157  0.503  1.0
  Sb  Sb6  1  0.819  0.506  0.339  1.0
  Sb  Sb7  1  0.181  0.494  0.661  1.0
  Sb  Sb8  1  0.506  0.819  0.339  1.0
  Sb  Sb9  1  0.494  0.181  0.661  1.0
  Sb  Sb10  1  0.665  0.341  0.841  1.0
  Sb  Sb11  1  0.335  0.659  0.159  1.0
  Sb  Sb12  1  0.659  0.335  0.159  1.0
  Sb  Sb13  1  0.341  0.665  0.841  1.0
  Ru  Ru14  1  0.000  0.500  0.000  1.0
  Ru  Ru15  1  0.500  0.000  0.000  1.0
[/CIF]
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