The crystal structure described by Ni6SnTe2 crystallizes in the tetragonal I4mm space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four Ni(2,2); four Ni(3,3); and four equivalent Sn(1) atoms to form NiNi8Sn4 cuboctahedra that share corners with four equivalent Ni(1)Ni8Sn4 cuboctahedra; corners with four equivalent Te(1)Ni8 hexagonal bipyramids; edges with eight Ni(2,2)Ni8Sn2Te2 cuboctahedra; faces with four Ni(2,2)Ni8Sn2Te2 cuboctahedra; faces with four equivalent Ni(1)Ni8Sn4 cuboctahedra; faces with four equivalent Sn(1)Ni12 cuboctahedra; and  a faceface with one Te(1)Ni8 hexagonal bipyramid. In the second Ni site, Ni(2) is bonded to two equivalent Ni(1), two equivalent Ni(4), four equivalent Ni(2), two equivalent Sn(1), and two equivalent Te(1) atoms to form distorted NiNi8Sn2Te2 cuboctahedra that share corners with four equivalent Ni(2)Ni8Sn2Te2 cuboctahedra, edges with four equivalent Ni(1)Ni8Sn4 cuboctahedra, edges with four equivalent Sn(1)Ni12 cuboctahedra, edges with four equivalent Te(1)Ni8 hexagonal bipyramids, faces with two equivalent Ni(1)Ni8Sn4 cuboctahedra, faces with two equivalent Sn(1)Ni12 cuboctahedra, faces with eight equivalent Ni(2)Ni8Sn2Te2 cuboctahedra, and faces with two equivalent Te(1)Ni8 hexagonal bipyramids. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Ni(1), four equivalent Ni(3), two equivalent Sn(1), and two equivalent Te(2) atoms. In the fourth Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Ni(1), four equivalent Ni(3), two equivalent Sn(1), and two equivalent Te(2) atoms. In the fifth Ni site, Ni(4) is bonded in a 9-coordinate geometry to four equivalent Ni(2), one Te(2), and four equivalent Te(1) atoms. In the sixth Ni site, Ni(2) is bonded to two equivalent Ni(1), two equivalent Ni(4), four equivalent Ni(2), two equivalent Sn(1), and two equivalent Te(1) atoms to form distorted NiNi8Sn2Te2 cuboctahedra that share corners with four equivalent Ni(2)Ni8Sn2Te2 cuboctahedra; edges with four equivalent Ni(1)Ni8Sn4 cuboctahedra; edges with four equivalent Sn(1)Ni12 cuboctahedra; edges with four equivalent Te(1)Ni8 hexagonal bipyramids; faces with two equivalent Ni(1)Ni8Sn4 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with eight Ni(2,2)Ni8Sn2Te2 cuboctahedra; and faces with two equivalent Te(1)Ni8 hexagonal bipyramids. Sn(1) is bonded to four equivalent Ni(1); four Ni(2,2); and four Ni(3,3) atoms to form SnNi12 cuboctahedra that share corners with four equivalent Sn(1)Ni12 cuboctahedra; edges with eight Ni(2,2)Ni8Sn2Te2 cuboctahedra; edges with four equivalent Te(1)Ni8 hexagonal bipyramids; faces with four Ni(2,2)Ni8Sn2Te2 cuboctahedra; faces with four equivalent Ni(1)Ni8Sn4 cuboctahedra; and faces with four equivalent Sn(1)Ni12 cuboctahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Ni(2) and four equivalent Ni(4) atoms to form distorted TeNi8 hexagonal bipyramids that share corners with four equivalent Ni(1)Ni8Sn4 cuboctahedra, corners with four equivalent Te(1)Ni8 hexagonal bipyramids, edges with four equivalent Sn(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Ni8Sn2Te2 cuboctahedra,  a faceface with one Ni(1)Ni8Sn4 cuboctahedra, faces with four equivalent Ni(2)Ni8Sn2Te2 cuboctahedra, and faces with four equivalent Te(1)Ni8 hexagonal bipyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ni(4) and four Ni(3,3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni6SnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.046
_cell_length_b   10.046
_cell_length_c   10.046
_cell_angle_alpha   158.226
_cell_angle_beta   158.226
_cell_angle_gamma   30.984
_symmetry_Int_Tables_number   1
_cell_volume   139.427
_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  0.501  0.501  0.000  1.0
  Ni  Ni1  1  0.907  0.407  0.500  1.0
  Ni  Ni2  1  0.407  0.907  0.500  1.0
  Ni  Ni3  1  0.095  0.595  0.500  1.0
  Ni  Ni4  1  0.595  0.095  0.500  1.0
  Ni  Ni5  1  0.809  0.809  0.000  1.0
  Sn  Sn6  1  0.000  0.000  0.000  1.0
  Te  Te7  1  0.316  0.316  0.000  1.0
  Te  Te8  1  0.679  0.679  0.000  1.0
[/CIF]
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The crystal structure described by Ni6SnTe2 crystallizes in the tetragonal I4mm space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four Ni(2,2); four Ni(3,3); and four equivalent Sn(1) atoms to form NiNi8Sn4 cuboctahedra that share corners with four equivalent Ni(1)Ni8Sn4 cuboctahedra; corners with four equivalent Te(1)Ni8 hexagonal bipyramids; edges with eight Ni(2,2)Ni8Sn2Te2 cuboctahedra; faces with four Ni(2,2)Ni8Sn2Te2 cuboctahedra; faces with four equivalent Ni(1)Ni8Sn4 cuboctahedra; faces with four equivalent Sn(1)Ni12 cuboctahedra; and  a faceface with one Te(1)Ni8 hexagonal bipyramid. In the second Ni site, Ni(2) is bonded to two equivalent Ni(1), two equivalent Ni(4), four equivalent Ni(2), two equivalent Sn(1), and two equivalent Te(1) atoms to form distorted NiNi8Sn2Te2 cuboctahedra that share corners with four equivalent Ni(2)Ni8Sn2Te2 cuboctahedra, edges with four equivalent Ni(1)Ni8Sn4 cuboctahedra, edges with four equivalent Sn(1)Ni12 cuboctahedra, edges with four equivalent Te(1)Ni8 hexagonal bipyramids, faces with two equivalent Ni(1)Ni8Sn4 cuboctahedra, faces with two equivalent Sn(1)Ni12 cuboctahedra, faces with eight equivalent Ni(2)Ni8Sn2Te2 cuboctahedra, and faces with two equivalent Te(1)Ni8 hexagonal bipyramids. In the third Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Ni(1), four equivalent Ni(3), two equivalent Sn(1), and two equivalent Te(2) atoms. In the fourth Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Ni(1), four equivalent Ni(3), two equivalent Sn(1), and two equivalent Te(2) atoms. In the fifth Ni site, Ni(4) is bonded in a 9-coordinate geometry to four equivalent Ni(2), one Te(2), and four equivalent Te(1) atoms. In the sixth Ni site, Ni(2) is bonded to two equivalent Ni(1), two equivalent Ni(4), four equivalent Ni(2), two equivalent Sn(1), and two equivalent Te(1) atoms to form distorted NiNi8Sn2Te2 cuboctahedra that share corners with four equivalent Ni(2)Ni8Sn2Te2 cuboctahedra; edges with four equivalent Ni(1)Ni8Sn4 cuboctahedra; edges with four equivalent Sn(1)Ni12 cuboctahedra; edges with four equivalent Te(1)Ni8 hexagonal bipyramids; faces with two equivalent Ni(1)Ni8Sn4 cuboctahedra; faces with two equivalent Sn(1)Ni12 cuboctahedra; faces with eight Ni(2,2)Ni8Sn2Te2 cuboctahedra; and faces with two equivalent Te(1)Ni8 hexagonal bipyramids. Sn(1) is bonded to four equivalent Ni(1); four Ni(2,2); and four Ni(3,3) atoms to form SnNi12 cuboctahedra that share corners with four equivalent Sn(1)Ni12 cuboctahedra; edges with eight Ni(2,2)Ni8Sn2Te2 cuboctahedra; edges with four equivalent Te(1)Ni8 hexagonal bipyramids; faces with four Ni(2,2)Ni8Sn2Te2 cuboctahedra; faces with four equivalent Ni(1)Ni8Sn4 cuboctahedra; and faces with four equivalent Sn(1)Ni12 cuboctahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Ni(2) and four equivalent Ni(4) atoms to form distorted TeNi8 hexagonal bipyramids that share corners with four equivalent Ni(1)Ni8Sn4 cuboctahedra, corners with four equivalent Te(1)Ni8 hexagonal bipyramids, edges with four equivalent Sn(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Ni8Sn2Te2 cuboctahedra,  a faceface with one Ni(1)Ni8Sn4 cuboctahedra, faces with four equivalent Ni(2)Ni8Sn2Te2 cuboctahedra, and faces with four equivalent Te(1)Ni8 hexagonal bipyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ni(4) and four Ni(3,3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni6SnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.046
_cell_length_b   10.046
_cell_length_c   10.046
_cell_angle_alpha   158.226
_cell_angle_beta   158.226
_cell_angle_gamma   30.984
_symmetry_Int_Tables_number   1
_cell_volume   139.427
_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  0.501  0.501  0.000  1.0
  Ni  Ni1  1  0.907  0.407  0.500  1.0
  Ni  Ni2  1  0.407  0.907  0.500  1.0
  Ni  Ni3  1  0.095  0.595  0.500  1.0
  Ni  Ni4  1  0.595  0.095  0.500  1.0
  Ni  Ni5  1  0.809  0.809  0.000  1.0
  Sn  Sn6  1  0.000  0.000  0.000  1.0
  Te  Te7  1  0.316  0.316  0.000  1.0
  Te  Te8  1  0.679  0.679  0.000  1.0
[/CIF]
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