The structure described by Sc9Ni5Ge8 crystallizes in the orthorhombic Imm2 space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Ni(3); two equivalent Ni(1); one Ge(1); two equivalent Ge(2); and two equivalent Ge(3,5) atoms. In the second Sc site, Sc(2,6) is bonded in a 12-coordinate geometry to two equivalent Ni(1); four equivalent Ni(2); two equivalent Ge(3,5); and four equivalent Ge(1) atoms. In the third Sc site, Sc(3) is bonded in a 10-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), two equivalent Ge(2), and four equivalent Ge(4) atoms. In the fourth Sc site, Sc(4) is bonded in a 5-coordinate geometry to one Ni(3); two equivalent Ni(2); one Ge(4); two equivalent Ge(2); and two equivalent Ge(3,5) atoms. In the fifth Sc site, Sc(5) is bonded in a 10-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), two equivalent Ge(2), and four equivalent Ge(1) atoms. In the sixth Sc site, Sc(7) is bonded in a square co-planar geometry to two equivalent Ge(2) and two equivalent Ge(3,5) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Sc(5); two equivalent Sc(1); three equivalent Sc(2,6); one Ge(3,5); one Ge(4); and two equivalent Ge(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Sc(3); two equivalent Sc(4); three equivalent Sc(2,6); one Ge(1); one Ge(3,5); and two equivalent Ge(4) atoms. In the third Ni site, Ni(3) is bonded to two equivalent Sc(1), two equivalent Sc(3), two equivalent Sc(4), two equivalent Sc(5), and four equivalent Ge(2) atoms to form distorted face-sharing NiSc8Ge4 cuboctahedra. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Sc(1); two equivalent Sc(2,6); two equivalent Sc(5); one Ni(2); two equivalent Ni(1); and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Sc(3), one Sc(5), one Sc(7), two equivalent Sc(1), two equivalent Sc(4), and two equivalent Ni(3) atoms. In the third Ge site, Ge(3,5) is bonded in a 9-coordinate geometry to one Sc(7); two equivalent Sc(2,6); four equivalent Sc(1); and two equivalent Ni(1) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Sc(4); two equivalent Sc(2,6); two equivalent Sc(3); one Ni(1); two equivalent Ni(2); and one Ge(4) atom. is represented by the CIF file [CIF]
data_Sc9Ni5Ge8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.599
_cell_length_b   11.599
_cell_length_c   11.599
_cell_angle_alpha   160.529
_cell_angle_beta   133.951
_cell_angle_gamma   50.442
_symmetry_Int_Tables_number   1
_cell_volume   373.504
_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  0.890  0.085  0.805  1.0
  Sc  Sc1  1  0.772  0.772  0.000  1.0
  Sc  Sc2  1  0.279  0.085  0.195  1.0
  Sc  Sc3  1  0.392  0.392  0.000  1.0
  Sc  Sc4  1  0.110  0.915  0.195  1.0
  Sc  Sc5  1  0.721  0.915  0.805  1.0
  Sc  Sc6  1  0.608  0.608  0.000  1.0
  Sc  Sc7  1  0.228  0.228  0.000  1.0
  Sc  Sc8  1  0.000  0.500  0.500  1.0
  Ni  Ni9  1  0.970  0.695  0.275  1.0
  Ni  Ni10  1  0.030  0.305  0.725  1.0
  Ni  Ni11  1  0.420  0.695  0.725  1.0
  Ni  Ni12  1  0.497  0.997  0.500  1.0
  Ni  Ni13  1  0.580  0.305  0.275  1.0
  Ge  Ge14  1  0.553  0.191  0.362  1.0
  Ge  Ge15  1  0.687  0.500  0.187  1.0
  Ge  Ge16  1  0.133  0.633  0.500  1.0
  Ge  Ge17  1  0.172  0.809  0.362  1.0
  Ge  Ge18  1  0.313  0.500  0.813  1.0
  Ge  Ge19  1  0.447  0.809  0.638  1.0
  Ge  Ge20  1  0.867  0.367  0.500  1.0
  Ge  Ge21  1  0.828  0.191  0.638  1.0
[/CIF]
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The structure described by Sc9Ni5Ge8 crystallizes in the orthorhombic Imm2 space group. There are six inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Ni(3); two equivalent Ni(1); one Ge(1); two equivalent Ge(2); and two equivalent Ge(3,5) atoms. In the second Sc site, Sc(2,6) is bonded in a 12-coordinate geometry to two equivalent Ni(1); four equivalent Ni(2); two equivalent Ge(3,5); and four equivalent Ge(1) atoms. In the third Sc site, Sc(3) is bonded in a 10-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), two equivalent Ge(2), and four equivalent Ge(4) atoms. In the fourth Sc site, Sc(4) is bonded in a 5-coordinate geometry to one Ni(3); two equivalent Ni(2); one Ge(4); two equivalent Ge(2); and two equivalent Ge(3,5) atoms. In the fifth Sc site, Sc(5) is bonded in a 10-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), two equivalent Ge(2), and four equivalent Ge(1) atoms. In the sixth Sc site, Sc(7) is bonded in a square co-planar geometry to two equivalent Ge(2) and two equivalent Ge(3,5) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Sc(5); two equivalent Sc(1); three equivalent Sc(2,6); one Ge(3,5); one Ge(4); and two equivalent Ge(1) atoms. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Sc(3); two equivalent Sc(4); three equivalent Sc(2,6); one Ge(1); one Ge(3,5); and two equivalent Ge(4) atoms. In the third Ni site, Ni(3) is bonded to two equivalent Sc(1), two equivalent Sc(3), two equivalent Sc(4), two equivalent Sc(5), and four equivalent Ge(2) atoms to form distorted face-sharing NiSc8Ge4 cuboctahedra. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Sc(1); two equivalent Sc(2,6); two equivalent Sc(5); one Ni(2); two equivalent Ni(1); and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Sc(3), one Sc(5), one Sc(7), two equivalent Sc(1), two equivalent Sc(4), and two equivalent Ni(3) atoms. In the third Ge site, Ge(3,5) is bonded in a 9-coordinate geometry to one Sc(7); two equivalent Sc(2,6); four equivalent Sc(1); and two equivalent Ni(1) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Sc(4); two equivalent Sc(2,6); two equivalent Sc(3); one Ni(1); two equivalent Ni(2); and one Ge(4) atom. is represented by the CIF file [CIF]
data_Sc9Ni5Ge8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.599
_cell_length_b   11.599
_cell_length_c   11.599
_cell_angle_alpha   160.529
_cell_angle_beta   133.951
_cell_angle_gamma   50.442
_symmetry_Int_Tables_number   1
_cell_volume   373.504
_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  0.890  0.085  0.805  1.0
  Sc  Sc1  1  0.772  0.772  0.000  1.0
  Sc  Sc2  1  0.279  0.085  0.195  1.0
  Sc  Sc3  1  0.392  0.392  0.000  1.0
  Sc  Sc4  1  0.110  0.915  0.195  1.0
  Sc  Sc5  1  0.721  0.915  0.805  1.0
  Sc  Sc6  1  0.608  0.608  0.000  1.0
  Sc  Sc7  1  0.228  0.228  0.000  1.0
  Sc  Sc8  1  0.000  0.500  0.500  1.0
  Ni  Ni9  1  0.970  0.695  0.275  1.0
  Ni  Ni10  1  0.030  0.305  0.725  1.0
  Ni  Ni11  1  0.420  0.695  0.725  1.0
  Ni  Ni12  1  0.497  0.997  0.500  1.0
  Ni  Ni13  1  0.580  0.305  0.275  1.0
  Ge  Ge14  1  0.553  0.191  0.362  1.0
  Ge  Ge15  1  0.687  0.500  0.187  1.0
  Ge  Ge16  1  0.133  0.633  0.500  1.0
  Ge  Ge17  1  0.172  0.809  0.362  1.0
  Ge  Ge18  1  0.313  0.500  0.813  1.0
  Ge  Ge19  1  0.447  0.809  0.638  1.0
  Ge  Ge20  1  0.867  0.367  0.500  1.0
  Ge  Ge21  1  0.828  0.191  0.638  1.0
[/CIF]
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