The structure described by Sc5(NiTe)2 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Ni(2), two equivalent Ni(1), and three equivalent Te(2) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and one Te(1) atom. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the fourth Sc site, Sc(4) is bonded in a 5-coordinate geometry to one Ni(2), one Te(2), and three equivalent Te(1) atoms. In the fifth Sc site, Sc(5) is bonded in a 6-coordinate geometry to one Ni(1), two equivalent Ni(2), one Te(2), and two equivalent Te(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Sc(3), one Sc(5), two equivalent Sc(1), three equivalent Sc(2), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Sc(1), one Sc(4), two equivalent Sc(5), three equivalent Sc(2), and two equivalent Ni(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded to one Sc(4), one Sc(5), two equivalent Sc(3), and three equivalent Sc(1) atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids. In the second Te site, Te(1) is bonded in a 8-coordinate geometry to one Sc(2), two equivalent Sc(3), two equivalent Sc(5), and three equivalent Sc(4) atoms. is represented by the CIF file [CIF]
data_Sc5(NiTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.962
_cell_length_b   10.655
_cell_length_c   17.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   757.394
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.250  0.177  0.481  1.0
  Sc  Sc1  1  0.750  0.823  0.519  1.0
  Sc  Sc2  1  0.750  0.677  0.019  1.0
  Sc  Sc3  1  0.250  0.323  0.981  1.0
  Sc  Sc4  1  0.250  0.058  0.072  1.0
  Sc  Sc5  1  0.750  0.942  0.928  1.0
  Sc  Sc6  1  0.750  0.558  0.428  1.0
  Sc  Sc7  1  0.250  0.442  0.572  1.0
  Sc  Sc8  1  0.250  0.803  0.367  1.0
  Sc  Sc9  1  0.750  0.197  0.633  1.0
  Sc  Sc10  1  0.750  0.303  0.133  1.0
  Sc  Sc11  1  0.250  0.697  0.867  1.0
  Sc  Sc12  1  0.250  0.021  0.773  1.0
  Sc  Sc13  1  0.750  0.979  0.227  1.0
  Sc  Sc14  1  0.750  0.521  0.727  1.0
  Sc  Sc15  1  0.250  0.479  0.273  1.0
  Sc  Sc16  1  0.250  0.784  0.151  1.0
  Sc  Sc17  1  0.750  0.216  0.849  1.0
  Sc  Sc18  1  0.750  0.284  0.349  1.0
  Sc  Sc19  1  0.250  0.716  0.651  1.0
  Ni  Ni20  1  0.250  0.675  0.494  1.0
  Ni  Ni21  1  0.750  0.325  0.506  1.0
  Ni  Ni22  1  0.750  0.175  0.006  1.0
  Ni  Ni23  1  0.250  0.825  0.994  1.0
  Ni  Ni24  1  0.250  0.397  0.415  1.0
  Ni  Ni25  1  0.750  0.603  0.585  1.0
  Ni  Ni26  1  0.750  0.897  0.085  1.0
  Ni  Ni27  1  0.250  0.103  0.915  1.0
  Te  Te28  1  0.250  0.191  0.232  1.0
  Te  Te29  1  0.750  0.809  0.768  1.0
  Te  Te30  1  0.750  0.691  0.268  1.0
  Te  Te31  1  0.250  0.309  0.732  1.0
  Te  Te32  1  0.250  0.990  0.607  1.0
  Te  Te33  1  0.750  0.010  0.393  1.0
  Te  Te34  1  0.750  0.490  0.893  1.0
  Te  Te35  1  0.250  0.510  0.107  1.0
[/CIF]
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The structure described by Sc5(NiTe)2 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one Ni(2), two equivalent Ni(1), and three equivalent Te(2) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and one Te(1) atom. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Te(1), and two equivalent Te(2) atoms. In the fourth Sc site, Sc(4) is bonded in a 5-coordinate geometry to one Ni(2), one Te(2), and three equivalent Te(1) atoms. In the fifth Sc site, Sc(5) is bonded in a 6-coordinate geometry to one Ni(1), two equivalent Ni(2), one Te(2), and two equivalent Te(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Sc(3), one Sc(5), two equivalent Sc(1), three equivalent Sc(2), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Sc(1), one Sc(4), two equivalent Sc(5), three equivalent Sc(2), and two equivalent Ni(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded to one Sc(4), one Sc(5), two equivalent Sc(3), and three equivalent Sc(1) atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids. In the second Te site, Te(1) is bonded in a 8-coordinate geometry to one Sc(2), two equivalent Sc(3), two equivalent Sc(5), and three equivalent Sc(4) atoms. is represented by the CIF file [CIF]
data_Sc5(NiTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.962
_cell_length_b   10.655
_cell_length_c   17.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   757.394
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.250  0.177  0.481  1.0
  Sc  Sc1  1  0.750  0.823  0.519  1.0
  Sc  Sc2  1  0.750  0.677  0.019  1.0
  Sc  Sc3  1  0.250  0.323  0.981  1.0
  Sc  Sc4  1  0.250  0.058  0.072  1.0
  Sc  Sc5  1  0.750  0.942  0.928  1.0
  Sc  Sc6  1  0.750  0.558  0.428  1.0
  Sc  Sc7  1  0.250  0.442  0.572  1.0
  Sc  Sc8  1  0.250  0.803  0.367  1.0
  Sc  Sc9  1  0.750  0.197  0.633  1.0
  Sc  Sc10  1  0.750  0.303  0.133  1.0
  Sc  Sc11  1  0.250  0.697  0.867  1.0
  Sc  Sc12  1  0.250  0.021  0.773  1.0
  Sc  Sc13  1  0.750  0.979  0.227  1.0
  Sc  Sc14  1  0.750  0.521  0.727  1.0
  Sc  Sc15  1  0.250  0.479  0.273  1.0
  Sc  Sc16  1  0.250  0.784  0.151  1.0
  Sc  Sc17  1  0.750  0.216  0.849  1.0
  Sc  Sc18  1  0.750  0.284  0.349  1.0
  Sc  Sc19  1  0.250  0.716  0.651  1.0
  Ni  Ni20  1  0.250  0.675  0.494  1.0
  Ni  Ni21  1  0.750  0.325  0.506  1.0
  Ni  Ni22  1  0.750  0.175  0.006  1.0
  Ni  Ni23  1  0.250  0.825  0.994  1.0
  Ni  Ni24  1  0.250  0.397  0.415  1.0
  Ni  Ni25  1  0.750  0.603  0.585  1.0
  Ni  Ni26  1  0.750  0.897  0.085  1.0
  Ni  Ni27  1  0.250  0.103  0.915  1.0
  Te  Te28  1  0.250  0.191  0.232  1.0
  Te  Te29  1  0.750  0.809  0.768  1.0
  Te  Te30  1  0.750  0.691  0.268  1.0
  Te  Te31  1  0.250  0.309  0.732  1.0
  Te  Te32  1  0.250  0.990  0.607  1.0
  Te  Te33  1  0.750  0.010  0.393  1.0
  Te  Te34  1  0.750  0.490  0.893  1.0
  Te  Te35  1  0.250  0.510  0.107  1.0
[/CIF]
.