The compound described by Zr2(ZnGa)3 crystallizes in the orthorhombic Pmmm space group. Zr(1) is bonded to two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Ga(2), and four equivalent Ga(1) atoms to form ZrZn6Ga6 cuboctahedra that share corners with twelve equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with four equivalent Zn(2)Zr4Ga8 cuboctahedra, edges with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, edges with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, edges with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with two equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with two equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, faces with two equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, and faces with six equivalent Zr(1)Zn6Ga6 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Zr(1), four equivalent Zn(3), and four equivalent Ga(1) atoms to form ZnZr4Zn4Ga4 cuboctahedra that share corners with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, corners with eight equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with eight equivalent Zn(2)Zr4Ga8 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, and faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Zr(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form ZnZr4Ga8 cuboctahedra that share corners with four equivalent Zn(2)Zr4Ga8 cuboctahedra, corners with eight equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with eight equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with four equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, and faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. In the third Zn site, Zn(3) is bonded to four equivalent Zr(1), four equivalent Zn(1), and four equivalent Ga(1) atoms to form ZnZr4Zn4Ga4 cuboctahedra that share corners with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, corners with eight equivalent Zn(2)Zr4Ga8 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with eight equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, and faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Zr(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Ga(2) atoms to form distorted GaZr4Zn6Ga2 cuboctahedra that share corners with twelve equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, edges with four equivalent Zn(2)Zr4Ga8 cuboctahedra, edges with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, edges with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, edges with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with two equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with two equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with two equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, faces with two equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, and faces with six equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Zr(1), four equivalent Zn(2), and four equivalent Ga(1) atoms to form distorted GaZr4Zn4Ga4 cuboctahedra that share corners with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, corners with eight equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with eight equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with four equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, and faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. is represented by the CIF file [CIF]
data_Zr2(ZnGa)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   4.033
_cell_length_c   8.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.542
_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
  Zr  Zr0  1  0.000  0.000  0.754  1.0
  Zr  Zr1  1  0.000  0.000  0.246  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.500  0.741  1.0
  Ga  Ga6  1  0.500  0.500  0.259  1.0
  Ga  Ga7  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by Zr2(ZnGa)3 crystallizes in the orthorhombic Pmmm space group. Zr(1) is bonded to two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Ga(2), and four equivalent Ga(1) atoms to form ZrZn6Ga6 cuboctahedra that share corners with twelve equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with four equivalent Zn(2)Zr4Ga8 cuboctahedra, edges with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, edges with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, edges with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with two equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with two equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, faces with two equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, and faces with six equivalent Zr(1)Zn6Ga6 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Zr(1), four equivalent Zn(3), and four equivalent Ga(1) atoms to form ZnZr4Zn4Ga4 cuboctahedra that share corners with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, corners with eight equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with eight equivalent Zn(2)Zr4Ga8 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, and faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Zr(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form ZnZr4Ga8 cuboctahedra that share corners with four equivalent Zn(2)Zr4Ga8 cuboctahedra, corners with eight equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with eight equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with four equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, and faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. In the third Zn site, Zn(3) is bonded to four equivalent Zr(1), four equivalent Zn(1), and four equivalent Ga(1) atoms to form ZnZr4Zn4Ga4 cuboctahedra that share corners with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, corners with eight equivalent Zn(2)Zr4Ga8 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with eight equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, and faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Zr(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Ga(2) atoms to form distorted GaZr4Zn6Ga2 cuboctahedra that share corners with twelve equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, edges with four equivalent Zn(2)Zr4Ga8 cuboctahedra, edges with four equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, edges with four equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, edges with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with two equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with two equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with two equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, faces with two equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, and faces with six equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. In the second Ga site, Ga(2) is bonded to four equivalent Zr(1), four equivalent Zn(2), and four equivalent Ga(1) atoms to form distorted GaZr4Zn4Ga4 cuboctahedra that share corners with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, corners with eight equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Zr(1)Zn6Ga6 cuboctahedra, edges with eight equivalent Zn(3)Zr4Zn4Ga4 cuboctahedra, edges with eight equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra, faces with two equivalent Zn(1)Zr4Zn4Ga4 cuboctahedra, faces with four equivalent Zr(1)Zn6Ga6 cuboctahedra, faces with four equivalent Zn(2)Zr4Ga8 cuboctahedra, faces with four equivalent Ga(2)Zr4Zn4Ga4 cuboctahedra, and faces with four equivalent Ga(1)Zr4Zn6Ga2 cuboctahedra. is represented by the CIF file [CIF]
data_Zr2(ZnGa)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   4.033
_cell_length_c   8.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.542
_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
  Zr  Zr0  1  0.000  0.000  0.754  1.0
  Zr  Zr1  1  0.000  0.000  0.246  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.500  0.741  1.0
  Ga  Ga6  1  0.500  0.500  0.259  1.0
  Ga  Ga7  1  0.500  0.000  0.000  1.0
[/CIF]
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