The compound described by Ni5Ga3 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Ni(3), four equivalent Ni(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted NiGa6Ni6 cuboctahedra that share corners with twelve equivalent Ni(2)Ga6Ni6 cuboctahedra, edges with four equivalent Ni(3)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(3)Ga4Ni8 cuboctahedra, and faces with six equivalent Ni(2)Ga6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Ga(1) atoms to form distorted NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Ga4Ni8 cuboctahedra, edges with eight equivalent Ni(2)Ga6Ni6 cuboctahedra, faces with two equivalent Ni(3)Ga4Ni8 cuboctahedra, and faces with four equivalent Ni(2)Ga6Ni6 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Ni(3), four equivalent Ni(1), and four equivalent Ni(2) atoms. In the second Ga site, Ga(2) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_Ga3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.693
_cell_length_b   5.001
_cell_length_c   5.001
_cell_angle_alpha   96.024
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.853
_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  0.500  0.719  0.281  1.0
  Ga  Ga1  1  0.500  0.281  0.719  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.775  0.775  1.0
  Ni  Ni4  1  0.500  0.225  0.225  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by Ni5Ga3 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Ni(3), four equivalent Ni(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted NiGa6Ni6 cuboctahedra that share corners with twelve equivalent Ni(2)Ga6Ni6 cuboctahedra, edges with four equivalent Ni(3)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(3)Ga4Ni8 cuboctahedra, and faces with six equivalent Ni(2)Ga6Ni6 cuboctahedra. In the third Ni site, Ni(3) is bonded to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Ga(1) atoms to form distorted NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Ga4Ni8 cuboctahedra, edges with eight equivalent Ni(2)Ga6Ni6 cuboctahedra, faces with two equivalent Ni(3)Ga4Ni8 cuboctahedra, and faces with four equivalent Ni(2)Ga6Ni6 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to two equivalent Ni(3), four equivalent Ni(1), and four equivalent Ni(2) atoms. In the second Ga site, Ga(2) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_Ga3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.693
_cell_length_b   5.001
_cell_length_c   5.001
_cell_angle_alpha   96.024
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.853
_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  0.500  0.719  0.281  1.0
  Ga  Ga1  1  0.500  0.281  0.719  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.775  0.775  1.0
  Ni  Ni4  1  0.500  0.225  0.225  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  Ni  Ni6  1  0.000  0.500  0.500  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
[/CIF]
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