The compound described by Sc3(NiGe)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to six equivalent Ni(1), two equivalent Ge(1), and four equivalent Ge(2) atoms. In the second Sc site, Sc(2) is bonded to eight equivalent Ni(1), two equivalent Ge(1), and four equivalent Ge(2) atoms to form face-sharing ScNi8Ge6 octahedra. Ni(1) is bonded in a 12-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), three equivalent Ni(1), one Ge(2), and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Sc(2), two equivalent Sc(1), and six equivalent Ni(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Ni(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_Sc3(NiGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.476
_cell_length_b   7.475
_cell_length_c   7.475
_cell_angle_alpha   149.820
_cell_angle_beta   127.823
_cell_angle_gamma   61.469
_symmetry_Int_Tables_number   1
_cell_volume   164.420
_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  0.873  0.373  0.500  1.0
  Sc  Sc1  1  0.127  0.627  0.500  1.0
  Sc  Sc2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.481  0.178  0.304  1.0
  Ni  Ni4  1  0.126  0.822  0.304  1.0
  Ni  Ni5  1  0.519  0.822  0.696  1.0
  Ni  Ni6  1  0.874  0.178  0.696  1.0
  Ge  Ge7  1  0.281  0.281  1.000  1.0
  Ge  Ge8  1  0.719  0.719  0.000  1.0
  Ge  Ge9  1  0.804  1.000  0.804  1.0
  Ge  Ge10  1  0.196  0.000  0.196  1.0
[/CIF]
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The compound described by Sc3(NiGe)4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 12-coordinate geometry to six equivalent Ni(1), two equivalent Ge(1), and four equivalent Ge(2) atoms. In the second Sc site, Sc(2) is bonded to eight equivalent Ni(1), two equivalent Ge(1), and four equivalent Ge(2) atoms to form face-sharing ScNi8Ge6 octahedra. Ni(1) is bonded in a 12-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), three equivalent Ni(1), one Ge(2), and three equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Sc(2), two equivalent Sc(1), and six equivalent Ni(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), two equivalent Ni(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_Sc3(NiGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.476
_cell_length_b   7.475
_cell_length_c   7.475
_cell_angle_alpha   149.820
_cell_angle_beta   127.823
_cell_angle_gamma   61.469
_symmetry_Int_Tables_number   1
_cell_volume   164.420
_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  0.873  0.373  0.500  1.0
  Sc  Sc1  1  0.127  0.627  0.500  1.0
  Sc  Sc2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.481  0.178  0.304  1.0
  Ni  Ni4  1  0.126  0.822  0.304  1.0
  Ni  Ni5  1  0.519  0.822  0.696  1.0
  Ni  Ni6  1  0.874  0.178  0.696  1.0
  Ge  Ge7  1  0.281  0.281  1.000  1.0
  Ge  Ge8  1  0.719  0.719  0.000  1.0
  Ge  Ge9  1  0.804  1.000  0.804  1.0
  Ge  Ge10  1  0.196  0.000  0.196  1.0
[/CIF]
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