The crystal structure described by Zr(CoGa)6 crystallizes in the orthorhombic Immm space group. Zr(1) is bonded in a 20-coordinate geometry to two equivalent Co(1), two equivalent Co(2), four equivalent Co(3), four equivalent Ga(2), and eight equivalent Ga(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Zr(1), one Co(1), two equivalent Co(3), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Zr(1), one Co(2), two equivalent Co(3), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Co(1), two equivalent Co(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Zr(1), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), two equivalent Ga(1), and two equivalent Ga(2) atoms to form a mixture of distorted face, corner, and edge-sharing GaZr2Ga4Co6 cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Zr(1), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), and four equivalent Ga(1) atoms to form a mixture of distorted face, corner, and edge-sharing GaZr2Ga4Co6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr(GaCo)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   6.387
_cell_length_c   6.387
_cell_angle_alpha   102.778
_cell_angle_beta   113.488
_cell_angle_gamma   66.512
_symmetry_Int_Tables_number   1
_cell_volume   174.176
_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  0.000  1.0
  Ga  Ga1  1  0.500  0.000  0.500  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.000  1.0
  Ga  Ga4  1  0.000  0.500  0.000  1.0
  Ga  Ga5  1  0.500  0.790  0.790  1.0
  Ga  Ga6  1  0.500  0.210  0.210  1.0
  Co  Co7  1  0.644  0.356  0.644  1.0
  Co  Co8  1  0.356  0.644  0.356  1.0
  Co  Co9  1  0.000  0.347  0.347  1.0
  Co  Co10  1  0.000  0.653  0.653  1.0
  Co  Co11  1  0.719  0.781  0.219  1.0
  Co  Co12  1  0.281  0.219  0.781  1.0
[/CIF]
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The crystal structure described by Zr(CoGa)6 crystallizes in the orthorhombic Immm space group. Zr(1) is bonded in a 20-coordinate geometry to two equivalent Co(1), two equivalent Co(2), four equivalent Co(3), four equivalent Ga(2), and eight equivalent Ga(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Zr(1), one Co(1), two equivalent Co(3), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Zr(1), one Co(2), two equivalent Co(3), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Co(1), two equivalent Co(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Zr(1), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), two equivalent Ga(1), and two equivalent Ga(2) atoms to form a mixture of distorted face, corner, and edge-sharing GaZr2Ga4Co6 cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Zr(1), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), and four equivalent Ga(1) atoms to form a mixture of distorted face, corner, and edge-sharing GaZr2Ga4Co6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr(GaCo)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.091
_cell_length_b   6.387
_cell_length_c   6.387
_cell_angle_alpha   102.778
_cell_angle_beta   113.488
_cell_angle_gamma   66.512
_symmetry_Int_Tables_number   1
_cell_volume   174.176
_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  0.000  1.0
  Ga  Ga1  1  0.500  0.000  0.500  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.000  1.0
  Ga  Ga4  1  0.000  0.500  0.000  1.0
  Ga  Ga5  1  0.500  0.790  0.790  1.0
  Ga  Ga6  1  0.500  0.210  0.210  1.0
  Co  Co7  1  0.644  0.356  0.644  1.0
  Co  Co8  1  0.356  0.644  0.356  1.0
  Co  Co9  1  0.000  0.347  0.347  1.0
  Co  Co10  1  0.000  0.653  0.653  1.0
  Co  Co11  1  0.719  0.781  0.219  1.0
  Co  Co12  1  0.281  0.219  0.781  1.0
[/CIF]
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