The material structure described by Mg6NiGa crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Ga(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(3); and two equivalent Ni(1) atoms to form MgMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Ga2 cuboctahedra, corners with six equivalent Mg(2)Mg10Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, and faces with six equivalent Ga(1)Mg10Ni2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Ga(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four equivalent Mg(3); and two equivalent Ga(1) atoms to form MgMg10Ga2 cuboctahedra that share corners with four equivalent Ga(1)Mg10Ni2 cuboctahedra, corners with six equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with two equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(2)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, and faces with six equivalent Ni(1)Mg10Ga2 cuboctahedra. In the fifth Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Ga(1) atoms. Ni(1) is bonded to two equivalent Mg(2); four Mg(1,1); four equivalent Mg(3); and two equivalent Ga(1) atoms to form NiMg10Ga2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra, corners with six equivalent Ni(1)Mg10Ga2 cuboctahedra, edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra, edges with four equivalent Ga(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Ga2 cuboctahedra. Ga(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ni(1) atoms to form GaMg10Ni2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Ga2 cuboctahedra, corners with six equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with two equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with four equivalent Ni(1)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Ni2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.783
_cell_length_b   6.021
_cell_length_c   6.021
_cell_angle_alpha   118.311
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.653
_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  0.331  0.669  1.0
  Mg  Mg1  1  0.000  0.651  0.835  1.0
  Mg  Mg2  1  1.000  0.165  0.349  1.0
  Mg  Mg3  1  0.000  0.662  0.338  1.0
  Mg  Mg4  1  0.500  0.859  0.671  1.0
  Mg  Mg5  1  0.500  0.329  0.141  1.0
  Mg  Mg6  1  0.500  0.836  0.164  1.0
  Ni  Ni7  1  0.000  0.166  0.834  1.0
[/CIF]
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The material structure described by Mg6NiGa crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Ga(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(3); and two equivalent Ni(1) atoms to form MgMg10Ni2 cuboctahedra that share corners with four equivalent Ni(1)Mg10Ga2 cuboctahedra, corners with six equivalent Mg(2)Mg10Ni2 cuboctahedra, edges with two equivalent Ni(1)Mg10Ga2 cuboctahedra, edges with four equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, and faces with six equivalent Ga(1)Mg10Ni2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Ga(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four equivalent Mg(3); and two equivalent Ga(1) atoms to form MgMg10Ga2 cuboctahedra that share corners with four equivalent Ga(1)Mg10Ni2 cuboctahedra, corners with six equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with two equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(2)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, and faces with six equivalent Ni(1)Mg10Ga2 cuboctahedra. In the fifth Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ni(1), and two equivalent Ga(1) atoms. Ni(1) is bonded to two equivalent Mg(2); four Mg(1,1); four equivalent Mg(3); and two equivalent Ga(1) atoms to form NiMg10Ga2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ni2 cuboctahedra, corners with six equivalent Ni(1)Mg10Ga2 cuboctahedra, edges with two equivalent Mg(2)Mg10Ni2 cuboctahedra, edges with four equivalent Ga(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ni2 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Ga2 cuboctahedra. Ga(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ni(1) atoms to form GaMg10Ni2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Ga2 cuboctahedra, corners with six equivalent Ga(1)Mg10Ni2 cuboctahedra, edges with two equivalent Mg(4)Mg10Ga2 cuboctahedra, edges with four equivalent Ni(1)Mg10Ga2 cuboctahedra, faces with two equivalent Mg(4)Mg10Ga2 cuboctahedra, faces with two equivalent Ni(1)Mg10Ga2 cuboctahedra, faces with two equivalent Ga(1)Mg10Ni2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Ni2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.783
_cell_length_b   6.021
_cell_length_c   6.021
_cell_angle_alpha   118.311
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.653
_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  0.331  0.669  1.0
  Mg  Mg1  1  0.000  0.651  0.835  1.0
  Mg  Mg2  1  1.000  0.165  0.349  1.0
  Mg  Mg3  1  0.000  0.662  0.338  1.0
  Mg  Mg4  1  0.500  0.859  0.671  1.0
  Mg  Mg5  1  0.500  0.329  0.141  1.0
  Mg  Mg6  1  0.500  0.836  0.164  1.0
  Ni  Ni7  1  0.000  0.166  0.834  1.0
[/CIF]
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