The compound described by Sc3(NiSi2)2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 11-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), two equivalent Si(3), two equivalent Si(4), and three equivalent Si(2) atoms. In the second Sc site, Sc(2) is bonded in a 10-coordinate geometry to one Ni(2), two equivalent Ni(1), one Si(1), two equivalent Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. In the third Sc site, Sc(3) is bonded in a 11-coordinate geometry to one Ni(1), two equivalent Ni(2), one Si(2), two equivalent Si(3), two equivalent Si(4), and three equivalent Si(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a 8-coordinate geometry to one Sc(2), two equivalent Sc(3), three equivalent Sc(1), one Si(4), and three equivalent Si(2) atoms. In the second Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Sc(3), two equivalent Sc(1), two equivalent Sc(2), one Si(3), one Si(4), and three equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sc(2), three equivalent Sc(3), three equivalent Ni(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Sc(3), two equivalent Sc(2), three equivalent Sc(1), three equivalent Ni(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Si(2), and one Si(4) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ni(2), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3(Si2Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.971
_cell_length_b   11.660
_cell_length_c   11.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.453
_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  0.750  0.981  0.814  1.0
  Sc  Sc1  1  0.250  0.019  0.186  1.0
  Sc  Sc2  1  0.750  0.481  0.686  1.0
  Sc  Sc3  1  0.250  0.519  0.314  1.0
  Sc  Sc4  1  0.750  0.753  0.650  1.0
  Sc  Sc5  1  0.250  0.247  0.350  1.0
  Sc  Sc6  1  0.750  0.253  0.850  1.0
  Sc  Sc7  1  0.250  0.747  0.150  1.0
  Sc  Sc8  1  0.750  0.695  0.920  1.0
  Sc  Sc9  1  0.250  0.305  0.080  1.0
  Sc  Sc10  1  0.750  0.195  0.580  1.0
  Sc  Sc11  1  0.250  0.805  0.420  1.0
  Si  Si12  1  0.750  0.943  0.533  1.0
  Si  Si13  1  0.250  0.057  0.467  1.0
  Si  Si14  1  0.750  0.443  0.967  1.0
  Si  Si15  1  0.250  0.557  0.033  1.0
  Si  Si16  1  0.750  0.893  0.063  1.0
  Si  Si17  1  0.250  0.107  0.937  1.0
  Si  Si18  1  0.750  0.393  0.437  1.0
  Si  Si19  1  0.250  0.607  0.563  1.0
  Si  Si20  1  0.750  0.877  0.266  1.0
  Si  Si21  1  0.250  0.123  0.734  1.0
  Si  Si22  1  0.750  0.377  0.234  1.0
  Si  Si23  1  0.250  0.623  0.766  1.0
  Si  Si24  1  0.750  0.673  0.298  1.0
  Si  Si25  1  0.250  0.327  0.702  1.0
  Si  Si26  1  0.750  0.173  0.202  1.0
  Si  Si27  1  0.250  0.827  0.798  1.0
  Ni  Ni28  1  0.750  0.549  0.134  1.0
  Ni  Ni29  1  0.250  0.451  0.866  1.0
  Ni  Ni30  1  0.750  0.049  0.366  1.0
  Ni  Ni31  1  0.250  0.951  0.634  1.0
  Ni  Ni32  1  0.750  0.590  0.473  1.0
  Ni  Ni33  1  0.250  0.410  0.527  1.0
  Ni  Ni34  1  0.750  0.090  0.027  1.0
  Ni  Ni35  1  0.250  0.910  0.973  1.0
[/CIF]
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The compound described by Sc3(NiSi2)2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 11-coordinate geometry to two equivalent Ni(1), three equivalent Ni(2), two equivalent Si(3), two equivalent Si(4), and three equivalent Si(2) atoms. In the second Sc site, Sc(2) is bonded in a 10-coordinate geometry to one Ni(2), two equivalent Ni(1), one Si(1), two equivalent Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. In the third Sc site, Sc(3) is bonded in a 11-coordinate geometry to one Ni(1), two equivalent Ni(2), one Si(2), two equivalent Si(3), two equivalent Si(4), and three equivalent Si(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a 8-coordinate geometry to one Sc(2), two equivalent Sc(3), three equivalent Sc(1), one Si(4), and three equivalent Si(2) atoms. In the second Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Sc(3), two equivalent Sc(1), two equivalent Sc(2), one Si(3), one Si(4), and three equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Sc(2), three equivalent Sc(3), three equivalent Ni(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Sc(3), two equivalent Sc(2), three equivalent Sc(1), three equivalent Ni(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Si(2), and one Si(4) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ni(2), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3(Si2Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.971
_cell_length_b   11.660
_cell_length_c   11.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.453
_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  0.750  0.981  0.814  1.0
  Sc  Sc1  1  0.250  0.019  0.186  1.0
  Sc  Sc2  1  0.750  0.481  0.686  1.0
  Sc  Sc3  1  0.250  0.519  0.314  1.0
  Sc  Sc4  1  0.750  0.753  0.650  1.0
  Sc  Sc5  1  0.250  0.247  0.350  1.0
  Sc  Sc6  1  0.750  0.253  0.850  1.0
  Sc  Sc7  1  0.250  0.747  0.150  1.0
  Sc  Sc8  1  0.750  0.695  0.920  1.0
  Sc  Sc9  1  0.250  0.305  0.080  1.0
  Sc  Sc10  1  0.750  0.195  0.580  1.0
  Sc  Sc11  1  0.250  0.805  0.420  1.0
  Si  Si12  1  0.750  0.943  0.533  1.0
  Si  Si13  1  0.250  0.057  0.467  1.0
  Si  Si14  1  0.750  0.443  0.967  1.0
  Si  Si15  1  0.250  0.557  0.033  1.0
  Si  Si16  1  0.750  0.893  0.063  1.0
  Si  Si17  1  0.250  0.107  0.937  1.0
  Si  Si18  1  0.750  0.393  0.437  1.0
  Si  Si19  1  0.250  0.607  0.563  1.0
  Si  Si20  1  0.750  0.877  0.266  1.0
  Si  Si21  1  0.250  0.123  0.734  1.0
  Si  Si22  1  0.750  0.377  0.234  1.0
  Si  Si23  1  0.250  0.623  0.766  1.0
  Si  Si24  1  0.750  0.673  0.298  1.0
  Si  Si25  1  0.250  0.327  0.702  1.0
  Si  Si26  1  0.750  0.173  0.202  1.0
  Si  Si27  1  0.250  0.827  0.798  1.0
  Ni  Ni28  1  0.750  0.549  0.134  1.0
  Ni  Ni29  1  0.250  0.451  0.866  1.0
  Ni  Ni30  1  0.750  0.049  0.366  1.0
  Ni  Ni31  1  0.250  0.951  0.634  1.0
  Ni  Ni32  1  0.750  0.590  0.473  1.0
  Ni  Ni33  1  0.250  0.410  0.527  1.0
  Ni  Ni34  1  0.750  0.090  0.027  1.0
  Ni  Ni35  1  0.250  0.910  0.973  1.0
[/CIF]
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