The material structure described by Ni13Ga9 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Ni(4), one Ni(5), one Ni(6), two equivalent Ni(3), one Ga(2), one Ga(3), one Ga(4), and three equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(4), two equivalent Ni(6), one Ga(2), one Ga(4), two equivalent Ga(1), and two equivalent Ga(3) atoms. In the third Ni site, Ni(3) is bonded in a 13-coordinate geometry to one Ni(2), one Ni(5), four equivalent Ni(1), one Ga(2), one Ga(3), one Ga(4), and four equivalent Ga(1) atoms. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(6), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the fifth Ni site, Ni(5) is bonded to two equivalent Ni(3), four equivalent Ni(1), two equivalent Ga(3), and four equivalent Ga(1) atoms to form face-sharing NiGa6Ni6 cuboctahedra. In the sixth Ni site, Ni(6) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(4), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of corner and face-sharing NiGa6Ni6 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Ni(2), one Ni(4), one Ni(5), one Ni(6), two equivalent Ni(3), and three equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to one Ni(2), one Ni(3), two equivalent Ni(1), two equivalent Ni(4), and two equivalent Ni(6) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Ni(3), one Ni(5), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Ni(6) atoms. In the fourth Ga site, Ga(4) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2), two equivalent Ni(3), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga9Ni13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.278
_cell_length_b   6.278
_cell_length_c   7.877
_cell_angle_alpha   107.606
_cell_angle_beta   108.292
_cell_angle_gamma   103.099
_symmetry_Int_Tables_number   1
_cell_volume   262.636
_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
  Ga  Ga0  1  0.482  0.253  0.310  1.0
  Ga  Ga1  1  0.943  0.171  0.690  1.0
  Ga  Ga2  1  0.518  0.747  0.690  1.0
  Ga  Ga3  1  0.057  0.829  0.310  1.0
  Ga  Ga4  1  0.945  0.170  0.115  1.0
  Ga  Ga5  1  0.055  0.830  0.885  1.0
  Ga  Ga6  1  0.459  0.708  0.167  1.0
  Ga  Ga7  1  0.541  0.292  0.833  1.0
  Ga  Ga8  1  0.000  0.500  0.500  1.0
  Ni  Ni9  1  0.727  0.456  0.661  1.0
  Ni  Ni10  1  0.795  0.066  0.339  1.0
  Ni  Ni11  1  0.273  0.544  0.339  1.0
  Ni  Ni12  1  0.205  0.934  0.661  1.0
  Ni  Ni13  1  0.732  0.447  0.179  1.0
  Ni  Ni14  1  0.268  0.553  0.821  1.0
  Ni  Ni15  1  0.255  0.259  0.513  1.0
  Ni  Ni16  1  0.745  0.741  0.487  1.0
  Ni  Ni17  1  0.261  0.261  0.000  1.0
  Ni  Ni18  1  0.500  0.000  0.500  1.0
  Ni  Ni19  1  0.000  0.500  0.000  1.0
  Ni  Ni20  1  0.500  0.000  0.000  1.0
  Ni  Ni21  1  0.739  0.739  0.000  1.0
[/CIF]
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The material structure described by Ni13Ga9 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Ni(4), one Ni(5), one Ni(6), two equivalent Ni(3), one Ga(2), one Ga(3), one Ga(4), and three equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded in a 11-coordinate geometry to one Ni(3), two equivalent Ni(4), two equivalent Ni(6), one Ga(2), one Ga(4), two equivalent Ga(1), and two equivalent Ga(3) atoms. In the third Ni site, Ni(3) is bonded in a 13-coordinate geometry to one Ni(2), one Ni(5), four equivalent Ni(1), one Ga(2), one Ga(3), one Ga(4), and four equivalent Ga(1) atoms. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(6), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the fifth Ni site, Ni(5) is bonded to two equivalent Ni(3), four equivalent Ni(1), two equivalent Ga(3), and four equivalent Ga(1) atoms to form face-sharing NiGa6Ni6 cuboctahedra. In the sixth Ni site, Ni(6) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(4), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of corner and face-sharing NiGa6Ni6 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Ni(2), one Ni(4), one Ni(5), one Ni(6), two equivalent Ni(3), and three equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded in a 7-coordinate geometry to one Ni(2), one Ni(3), two equivalent Ni(1), two equivalent Ni(4), and two equivalent Ni(6) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Ni(3), one Ni(5), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Ni(6) atoms. In the fourth Ga site, Ga(4) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2), two equivalent Ni(3), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga9Ni13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.278
_cell_length_b   6.278
_cell_length_c   7.877
_cell_angle_alpha   107.606
_cell_angle_beta   108.292
_cell_angle_gamma   103.099
_symmetry_Int_Tables_number   1
_cell_volume   262.636
_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
  Ga  Ga0  1  0.482  0.253  0.310  1.0
  Ga  Ga1  1  0.943  0.171  0.690  1.0
  Ga  Ga2  1  0.518  0.747  0.690  1.0
  Ga  Ga3  1  0.057  0.829  0.310  1.0
  Ga  Ga4  1  0.945  0.170  0.115  1.0
  Ga  Ga5  1  0.055  0.830  0.885  1.0
  Ga  Ga6  1  0.459  0.708  0.167  1.0
  Ga  Ga7  1  0.541  0.292  0.833  1.0
  Ga  Ga8  1  0.000  0.500  0.500  1.0
  Ni  Ni9  1  0.727  0.456  0.661  1.0
  Ni  Ni10  1  0.795  0.066  0.339  1.0
  Ni  Ni11  1  0.273  0.544  0.339  1.0
  Ni  Ni12  1  0.205  0.934  0.661  1.0
  Ni  Ni13  1  0.732  0.447  0.179  1.0
  Ni  Ni14  1  0.268  0.553  0.821  1.0
  Ni  Ni15  1  0.255  0.259  0.513  1.0
  Ni  Ni16  1  0.745  0.741  0.487  1.0
  Ni  Ni17  1  0.261  0.261  0.000  1.0
  Ni  Ni18  1  0.500  0.000  0.500  1.0
  Ni  Ni19  1  0.000  0.500  0.000  1.0
  Ni  Ni20  1  0.500  0.000  0.000  1.0
  Ni  Ni21  1  0.739  0.739  0.000  1.0
[/CIF]
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