The compound described by MgGa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve Ga(1,1) atoms to form MgGa12 cuboctahedra that share corners with six equivalent Mg(1)Ga12 cuboctahedra; corners with twelve equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with eighteen Ga(1,1)Mg4Ga8 cuboctahedra; faces with eight equivalent Mg(1)Ga12 cuboctahedra; and faces with twelve Ga(1,1)Mg4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Mg(1) and eight equivalent Ga(1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with four equivalent Mg(1)Ga12 cuboctahedra; corners with fourteen equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with six equivalent Mg(1)Ga12 cuboctahedra; edges with twelve equivalent Ga(1)Mg4Ga8 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; and faces with sixteen Ga(1,1)Mg4Ga8 cuboctahedra. In the second Ga site, Ga(1) is bonded to four equivalent Mg(1) and eight equivalent Ga(1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with four equivalent Mg(1)Ga12 cuboctahedra; corners with fourteen Ga(1,1)Mg4Ga8 cuboctahedra; edges with six equivalent Mg(1)Ga12 cuboctahedra; edges with twelve equivalent Ga(1)Mg4Ga8 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; and faces with sixteen Ga(1,1)Mg4Ga8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.857
_cell_length_b   5.857
_cell_length_c   4.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   143.566
_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
  Mg  Mg0  1  0.667  0.333  0.750  1.0
  Mg  Mg1  1  0.333  0.667  0.250  1.0
  Ga  Ga2  1  0.163  0.837  0.750  1.0
  Ga  Ga3  1  0.675  0.837  0.750  1.0
  Ga  Ga4  1  0.163  0.325  0.750  1.0
  Ga  Ga5  1  0.837  0.163  0.250  1.0
  Ga  Ga6  1  0.837  0.675  0.250  1.0
  Ga  Ga7  1  0.325  0.163  0.250  1.0
[/CIF]
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The compound described by MgGa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve Ga(1,1) atoms to form MgGa12 cuboctahedra that share corners with six equivalent Mg(1)Ga12 cuboctahedra; corners with twelve equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with eighteen Ga(1,1)Mg4Ga8 cuboctahedra; faces with eight equivalent Mg(1)Ga12 cuboctahedra; and faces with twelve Ga(1,1)Mg4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Mg(1) and eight equivalent Ga(1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with four equivalent Mg(1)Ga12 cuboctahedra; corners with fourteen equivalent Ga(1)Mg4Ga8 cuboctahedra; edges with six equivalent Mg(1)Ga12 cuboctahedra; edges with twelve equivalent Ga(1)Mg4Ga8 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; and faces with sixteen Ga(1,1)Mg4Ga8 cuboctahedra. In the second Ga site, Ga(1) is bonded to four equivalent Mg(1) and eight equivalent Ga(1) atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with four equivalent Mg(1)Ga12 cuboctahedra; corners with fourteen Ga(1,1)Mg4Ga8 cuboctahedra; edges with six equivalent Mg(1)Ga12 cuboctahedra; edges with twelve equivalent Ga(1)Mg4Ga8 cuboctahedra; faces with four equivalent Mg(1)Ga12 cuboctahedra; and faces with sixteen Ga(1,1)Mg4Ga8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.857
_cell_length_b   5.857
_cell_length_c   4.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   143.566
_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
  Mg  Mg0  1  0.667  0.333  0.750  1.0
  Mg  Mg1  1  0.333  0.667  0.250  1.0
  Ga  Ga2  1  0.163  0.837  0.750  1.0
  Ga  Ga3  1  0.675  0.837  0.750  1.0
  Ga  Ga4  1  0.163  0.325  0.750  1.0
  Ga  Ga5  1  0.837  0.163  0.250  1.0
  Ga  Ga6  1  0.837  0.675  0.250  1.0
  Ga  Ga7  1  0.325  0.163  0.250  1.0
[/CIF]
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