The material described by Sc4NiSi7 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(5), and four equivalent Si(6) atoms. In the second Sc site, Sc(2) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent Si(2), two equivalent Si(4), and four equivalent Si(7) atoms. In the third Sc site, Sc(3) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(7) atoms. In the fourth Sc site, Sc(4) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(4), two equivalent Si(6), and four equivalent Si(5) atoms. Ni(1) is bonded in a 12-coordinate geometry to two equivalent Sc(2), four equivalent Sc(3), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(7) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(3), two equivalent Ni(1), and four equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), and four equivalent Si(4) atoms. In the third Si site, Si(3) is bonded in a distorted q6 geometry to two equivalent Sc(1), two equivalent Sc(3), two equivalent Ni(1), and four equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), and four equivalent Si(2) atoms. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to two equivalent Sc(1), four equivalent Sc(4), and two equivalent Si(6) atoms. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to two equivalent Sc(4), four equivalent Sc(1), and two equivalent Si(5) atoms. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to two equivalent Sc(3), four equivalent Sc(2), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc4Si7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.660
_cell_length_b   3.844
_cell_length_c   13.973
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.582
_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
  Sc  Sc0  1  0.000  0.000  0.109  1.0
  Sc  Sc1  1  0.000  0.500  0.595  1.0
  Sc  Sc2  1  0.500  0.500  0.415  1.0
  Sc  Sc3  1  0.500  0.000  0.898  1.0
  Si  Si4  1  0.000  0.500  0.267  1.0
  Si  Si5  1  0.000  0.000  0.742  1.0
  Si  Si6  1  0.500  0.000  0.269  1.0
  Si  Si7  1  0.500  0.500  0.751  1.0
  Si  Si8  1  0.000  0.500  0.944  1.0
  Si  Si9  1  0.500  0.500  0.056  1.0
  Si  Si10  1  0.500  0.000  0.547  1.0
  Ni  Ni11  1  0.000  0.000  0.408  1.0
[/CIF]
.
The material described by Sc4NiSi7 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(5), and four equivalent Si(6) atoms. In the second Sc site, Sc(2) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent Si(2), two equivalent Si(4), and four equivalent Si(7) atoms. In the third Sc site, Sc(3) is bonded in a 10-coordinate geometry to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(7) atoms. In the fourth Sc site, Sc(4) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(4), two equivalent Si(6), and four equivalent Si(5) atoms. Ni(1) is bonded in a 12-coordinate geometry to two equivalent Sc(2), four equivalent Sc(3), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(7) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(3), two equivalent Ni(1), and four equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), and four equivalent Si(4) atoms. In the third Si site, Si(3) is bonded in a distorted q6 geometry to two equivalent Sc(1), two equivalent Sc(3), two equivalent Ni(1), and four equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), and four equivalent Si(2) atoms. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to two equivalent Sc(1), four equivalent Sc(4), and two equivalent Si(6) atoms. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to two equivalent Sc(4), four equivalent Sc(1), and two equivalent Si(5) atoms. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to two equivalent Sc(3), four equivalent Sc(2), and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc4Si7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.660
_cell_length_b   3.844
_cell_length_c   13.973
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.582
_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
  Sc  Sc0  1  0.000  0.000  0.109  1.0
  Sc  Sc1  1  0.000  0.500  0.595  1.0
  Sc  Sc2  1  0.500  0.500  0.415  1.0
  Sc  Sc3  1  0.500  0.000  0.898  1.0
  Si  Si4  1  0.000  0.500  0.267  1.0
  Si  Si5  1  0.000  0.000  0.742  1.0
  Si  Si6  1  0.500  0.000  0.269  1.0
  Si  Si7  1  0.500  0.500  0.751  1.0
  Si  Si8  1  0.000  0.500  0.944  1.0
  Si  Si9  1  0.500  0.500  0.056  1.0
  Si  Si10  1  0.500  0.000  0.547  1.0
  Ni  Ni11  1  0.000  0.000  0.408  1.0
[/CIF]
.