The material structure described by Ni4(SnSb3)3 is Skutterudite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Sn(1), one Sn(2), one Sb(2), one Sb(3), one Sb(4), and one Sb(5) atom to form NiSn2Sb4 octahedra that share corners with two equivalent Ni(1)Sn2Sb4 octahedra, corners with four equivalent Ni(2)SnSb5 octahedra, and corners with two equivalent Sb(1)Ni2Sn2 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Ni site, Ni(2) is bonded to one Sn(3), one Sb(1), one Sb(2), one Sb(3), one Sb(4), and one Sb(5) atom to form NiSnSb5 octahedra that share corners with two equivalent Ni(2)SnSb5 octahedra and corners with four equivalent Ni(1)Sn2Sb4 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1), one Sn(3), and one Sb(1) atom. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1), one Sn(3), and one Sb(1) atom. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Ni(2), one Sn(1), and one Sn(2) atom. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Ni(2), one Sn(1), and one Sn(2) atom to form distorted SbNi2Sn2 tetrahedra that share corners with four equivalent Ni(1)Sn2Sb4 octahedra. The corner-sharing octahedral tilt angles range from 71-73°. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. In the third Sb site, Sb(3) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. In the fourth Sb site, Sb(4) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. In the fifth Sb site, Sb(5) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ni4(SnSb3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.000
_cell_length_b   8.000
_cell_length_c   9.179
_cell_angle_alpha   54.988
_cell_angle_beta   54.988
_cell_angle_gamma   71.468
_symmetry_Int_Tables_number   1
_cell_volume   394.027
_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
  Ni  Ni0  1  0.999  0.499  1.000  1.0
  Ni  Ni1  1  0.499  0.999  1.000  1.0
  Ni  Ni2  1  0.003  0.499  0.500  1.0
  Ni  Ni3  1  0.499  0.003  0.500  1.0
  Sn  Sn4  1  0.334  0.334  0.824  1.0
  Sn  Sn5  1  0.665  0.665  0.176  1.0
  Sn  Sn6  1  0.665  0.665  0.493  1.0
  Sb  Sb7  1  0.336  0.336  0.506  1.0
  Sb  Sb8  1  0.176  0.505  0.159  1.0
  Sb  Sb9  1  0.822  0.496  0.842  1.0
  Sb  Sb10  1  0.505  0.176  0.159  1.0
  Sb  Sb11  1  0.496  0.822  0.842  1.0
  Sb  Sb12  1  0.840  0.159  0.666  1.0
  Sb  Sb13  1  0.159  0.842  0.333  1.0
  Sb  Sb14  1  0.842  0.159  0.333  1.0
  Sb  Sb15  1  0.159  0.840  0.666  1.0
[/CIF]
.
The material structure described by Ni4(SnSb3)3 is Skutterudite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Sn(1), one Sn(2), one Sb(2), one Sb(3), one Sb(4), and one Sb(5) atom to form NiSn2Sb4 octahedra that share corners with two equivalent Ni(1)Sn2Sb4 octahedra, corners with four equivalent Ni(2)SnSb5 octahedra, and corners with two equivalent Sb(1)Ni2Sn2 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Ni site, Ni(2) is bonded to one Sn(3), one Sb(1), one Sb(2), one Sb(3), one Sb(4), and one Sb(5) atom to form NiSnSb5 octahedra that share corners with two equivalent Ni(2)SnSb5 octahedra and corners with four equivalent Ni(1)Sn2Sb4 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 4-coordinate geometry to two equivalent Ni(1), one Sn(3), and one Sb(1) atom. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1), one Sn(3), and one Sb(1) atom. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to two equivalent Ni(2), one Sn(1), and one Sn(2) atom. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent Ni(2), one Sn(1), and one Sn(2) atom to form distorted SbNi2Sn2 tetrahedra that share corners with four equivalent Ni(1)Sn2Sb4 octahedra. The corner-sharing octahedral tilt angles range from 71-73°. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. In the third Sb site, Sb(3) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. In the fourth Sb site, Sb(4) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. In the fifth Sb site, Sb(5) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ni4(SnSb3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.000
_cell_length_b   8.000
_cell_length_c   9.179
_cell_angle_alpha   54.988
_cell_angle_beta   54.988
_cell_angle_gamma   71.468
_symmetry_Int_Tables_number   1
_cell_volume   394.027
_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
  Ni  Ni0  1  0.999  0.499  1.000  1.0
  Ni  Ni1  1  0.499  0.999  1.000  1.0
  Ni  Ni2  1  0.003  0.499  0.500  1.0
  Ni  Ni3  1  0.499  0.003  0.500  1.0
  Sn  Sn4  1  0.334  0.334  0.824  1.0
  Sn  Sn5  1  0.665  0.665  0.176  1.0
  Sn  Sn6  1  0.665  0.665  0.493  1.0
  Sb  Sb7  1  0.336  0.336  0.506  1.0
  Sb  Sb8  1  0.176  0.505  0.159  1.0
  Sb  Sb9  1  0.822  0.496  0.842  1.0
  Sb  Sb10  1  0.505  0.176  0.159  1.0
  Sb  Sb11  1  0.496  0.822  0.842  1.0
  Sb  Sb12  1  0.840  0.159  0.666  1.0
  Sb  Sb13  1  0.159  0.842  0.333  1.0
  Sb  Sb14  1  0.842  0.159  0.333  1.0
  Sb  Sb15  1  0.159  0.840  0.666  1.0
[/CIF]
.