The crystal structure described by Sc3NiGa5 crystallizes in the monoclinic C2 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), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the third Sc site, Sc(3) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ga(2), one Ga(3), and one Ga(5) atom. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Sc(1), one Sc(2), one Sc(3), one Ga(5), one Ga(6), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ga(4), one Ga(6), and two equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ga(4), and two equivalent Ga(1) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ga(2), one Ga(3), and one Ga(6) atom. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ni(1), and two equivalent Ga(1) atoms. In the sixth Ga site, Ga(6) is bonded in a distorted cuboctahedral geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3Ga5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.816
_cell_length_b   7.870
_cell_length_c   7.872
_cell_angle_alpha   83.390
_cell_angle_beta   115.653
_cell_angle_gamma   64.341
_symmetry_Int_Tables_number   1
_cell_volume   318.413
_cell_formula_units_Z   2
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  0.431  0.468  0.955  1.0
  Sc  Sc1  1  0.943  0.532  0.045  1.0
  Sc  Sc2  1  0.781  0.271  0.732  1.0
  Sc  Sc3  1  0.320  0.729  0.268  1.0
  Sc  Sc4  1  0.420  0.051  0.544  1.0
  Sc  Sc5  1  0.926  0.949  0.456  1.0
  Ga  Ga6  1  0.210  0.263  0.751  1.0
  Ga  Ga7  1  0.722  0.737  0.249  1.0
  Ga  Ga8  1  0.364  0.128  0.144  1.0
  Ga  Ga9  1  0.348  0.872  0.856  1.0
  Ga  Ga10  1  0.814  0.639  0.626  1.0
  Ga  Ga11  1  0.827  0.361  0.374  1.0
  Ga  Ga12  1  0.973  0.839  0.835  1.0
  Ga  Ga13  1  0.976  0.161  0.165  1.0
  Ga  Ga14  1  0.237  0.500  0.500  1.0
  Ga  Ga15  1  0.726  0.000  0.000  1.0
  Ni  Ni16  1  0.469  0.330  0.336  1.0
  Ni  Ni17  1  0.463  0.670  0.664  1.0
[/CIF]
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The crystal structure described by Sc3NiGa5 crystallizes in the monoclinic C2 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), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the second Sc site, Sc(2) is bonded in a 9-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the third Sc site, Sc(3) is bonded in a 11-coordinate geometry to two equivalent Ni(1), one Ga(1), one Ga(5), one Ga(6), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ga(2), one Ga(3), and one Ga(5) atom. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Sc(1), one Sc(2), one Sc(3), one Ga(5), one Ga(6), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ga(4), one Ga(6), and two equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ni(1), one Ga(4), and two equivalent Ga(1) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ga(2), one Ga(3), and one Ga(6) atom. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ni(1), and two equivalent Ga(1) atoms. In the sixth Ga site, Ga(6) is bonded in a distorted cuboctahedral geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc3Ga5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.816
_cell_length_b   7.870
_cell_length_c   7.872
_cell_angle_alpha   83.390
_cell_angle_beta   115.653
_cell_angle_gamma   64.341
_symmetry_Int_Tables_number   1
_cell_volume   318.413
_cell_formula_units_Z   2
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  0.431  0.468  0.955  1.0
  Sc  Sc1  1  0.943  0.532  0.045  1.0
  Sc  Sc2  1  0.781  0.271  0.732  1.0
  Sc  Sc3  1  0.320  0.729  0.268  1.0
  Sc  Sc4  1  0.420  0.051  0.544  1.0
  Sc  Sc5  1  0.926  0.949  0.456  1.0
  Ga  Ga6  1  0.210  0.263  0.751  1.0
  Ga  Ga7  1  0.722  0.737  0.249  1.0
  Ga  Ga8  1  0.364  0.128  0.144  1.0
  Ga  Ga9  1  0.348  0.872  0.856  1.0
  Ga  Ga10  1  0.814  0.639  0.626  1.0
  Ga  Ga11  1  0.827  0.361  0.374  1.0
  Ga  Ga12  1  0.973  0.839  0.835  1.0
  Ga  Ga13  1  0.976  0.161  0.165  1.0
  Ga  Ga14  1  0.237  0.500  0.500  1.0
  Ga  Ga15  1  0.726  0.000  0.000  1.0
  Ni  Ni16  1  0.469  0.330  0.336  1.0
  Ni  Ni17  1  0.463  0.670  0.664  1.0
[/CIF]
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