The material structure described by Ni3(SbTe)2 crystallizes in the monoclinic Cm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Ni(3), one Sb(2), two equivalent Sb(1), one Te(1), and two equivalent Te(2) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ni(3), one Sb(1), two equivalent Sb(2), one Te(2), and two equivalent Te(1) atoms. In the third Ni site, Ni(3) is bonded in a 8-coordinate geometry to one Ni(1), one Ni(2), one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), and two equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3(SbTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.469
_cell_length_b   6.469
_cell_length_c   6.743
_cell_angle_alpha   59.442
_cell_angle_beta   59.442
_cell_angle_gamma   35.653
_symmetry_Int_Tables_number   1
_cell_volume   139.064
_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  0.254  0.254  0.737  1.0
  Ni  Ni1  1  0.746  0.746  0.263  1.0
  Ni  Ni2  1  0.996  0.996  0.003  1.0
  Sb  Sb3  1  0.873  0.873  0.467  1.0
  Sb  Sb4  1  0.370  0.370  0.965  1.0
  Te  Te5  1  0.130  0.130  0.529  1.0
  Te  Te6  1  0.628  0.628  0.037  1.0
[/CIF]
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The material structure described by Ni3(SbTe)2 crystallizes in the monoclinic Cm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Ni(3), one Sb(2), two equivalent Sb(1), one Te(1), and two equivalent Te(2) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ni(3), one Sb(1), two equivalent Sb(2), one Te(2), and two equivalent Te(1) atoms. In the third Ni site, Ni(3) is bonded in a 8-coordinate geometry to one Ni(1), one Ni(2), one Sb(1), two equivalent Sb(2), one Te(1), and two equivalent Te(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), and two equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Ni(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3(SbTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.469
_cell_length_b   6.469
_cell_length_c   6.743
_cell_angle_alpha   59.442
_cell_angle_beta   59.442
_cell_angle_gamma   35.653
_symmetry_Int_Tables_number   1
_cell_volume   139.064
_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  0.254  0.254  0.737  1.0
  Ni  Ni1  1  0.746  0.746  0.263  1.0
  Ni  Ni2  1  0.996  0.996  0.003  1.0
  Sb  Sb3  1  0.873  0.873  0.467  1.0
  Sb  Sb4  1  0.370  0.370  0.965  1.0
  Te  Te5  1  0.130  0.130  0.529  1.0
  Te  Te6  1  0.628  0.628  0.037  1.0
[/CIF]
.