The structure described by ZrFe5CoGa6 is beta Uranium-derived structured and crystallizes in the orthorhombic Imm2 space group. Zr(1) is bonded in a 20-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), one Co(1), four equivalent Ga(2), and eight equivalent Ga(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Zr(1), two equivalent Fe(3), four equivalent Fe(2), one Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Zr(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Zr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted FeZr2Ga6Fe4 cuboctahedra that share corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with six equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Zr(1), two equivalent Fe(2), two equivalent Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted FeZr2Ga6Fe2Co2 cuboctahedra that share corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with six equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Fe(3)Zr2Ga6Fe4 cuboctahedra, faces with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. Co(1) is bonded in a 14-coordinate geometry to one Zr(1), one Fe(1), two equivalent Fe(4), four equivalent Fe(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), one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Co(1), two equivalent Ga(1), and two equivalent Ga(2) atoms to form distorted GaZr2Ga4Fe5Co cuboctahedra that share corners with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with ten equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with two equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra, faces with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, faces with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with six equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Zr(1), one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Co(1), and four equivalent Ga(1) atoms to form distorted GaZr2Ga4Fe5Co cuboctahedra that share corners with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra, edges with three equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Ga(2)Zr2Ga4Fe5Co cuboctahedra, faces with three equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with three equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrGa6Fe5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.043
_cell_length_b   6.523
_cell_length_c   6.523
_cell_angle_alpha   100.516
_cell_angle_beta   112.740
_cell_angle_gamma   67.260
_symmetry_Int_Tables_number   1
_cell_volume   182.346
_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  0.998  0.002  0.998  1.0
  Ga  Ga1  1  0.501  0.005  0.504  1.0
  Ga  Ga2  1  0.998  0.005  0.504  1.0
  Ga  Ga3  1  0.501  0.496  0.995  1.0
  Ga  Ga4  1  0.998  0.496  0.995  1.0
  Ga  Ga5  1  0.500  0.795  0.796  1.0
  Ga  Ga6  1  0.500  0.204  0.205  1.0
  Fe  Fe7  1  0.361  0.639  0.361  1.0
  Fe  Fe8  1  0.000  0.363  0.363  1.0
  Fe  Fe9  1  0.000  0.637  0.637  1.0
  Fe  Fe10  1  0.726  0.774  0.226  1.0
  Fe  Fe11  1  0.282  0.218  0.782  1.0
  Co  Co12  1  0.633  0.367  0.633  1.0
[/CIF]
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The structure described by ZrFe5CoGa6 is beta Uranium-derived structured and crystallizes in the orthorhombic Imm2 space group. Zr(1) is bonded in a 20-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), one Co(1), four equivalent Ga(2), and eight equivalent Ga(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Zr(1), two equivalent Fe(3), four equivalent Fe(2), one Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Zr(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Zr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted FeZr2Ga6Fe4 cuboctahedra that share corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with six equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Zr(1), two equivalent Fe(2), two equivalent Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted FeZr2Ga6Fe2Co2 cuboctahedra that share corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with six equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Fe(3)Zr2Ga6Fe4 cuboctahedra, faces with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. Co(1) is bonded in a 14-coordinate geometry to one Zr(1), one Fe(1), two equivalent Fe(4), four equivalent Fe(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), one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Co(1), two equivalent Ga(1), and two equivalent Ga(2) atoms to form distorted GaZr2Ga4Fe5Co cuboctahedra that share corners with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with ten equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with two equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra, faces with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, faces with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with six equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Zr(1), one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Co(1), and four equivalent Ga(1) atoms to form distorted GaZr2Ga4Fe5Co cuboctahedra that share corners with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra, edges with three equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Ga(2)Zr2Ga4Fe5Co cuboctahedra, faces with three equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with three equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrGa6Fe5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.043
_cell_length_b   6.523
_cell_length_c   6.523
_cell_angle_alpha   100.516
_cell_angle_beta   112.740
_cell_angle_gamma   67.260
_symmetry_Int_Tables_number   1
_cell_volume   182.346
_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  0.998  0.002  0.998  1.0
  Ga  Ga1  1  0.501  0.005  0.504  1.0
  Ga  Ga2  1  0.998  0.005  0.504  1.0
  Ga  Ga3  1  0.501  0.496  0.995  1.0
  Ga  Ga4  1  0.998  0.496  0.995  1.0
  Ga  Ga5  1  0.500  0.795  0.796  1.0
  Ga  Ga6  1  0.500  0.204  0.205  1.0
  Fe  Fe7  1  0.361  0.639  0.361  1.0
  Fe  Fe8  1  0.000  0.363  0.363  1.0
  Fe  Fe9  1  0.000  0.637  0.637  1.0
  Fe  Fe10  1  0.726  0.774  0.226  1.0
  Fe  Fe11  1  0.282  0.218  0.782  1.0
  Co  Co12  1  0.633  0.367  0.633  1.0
[/CIF]
.