The material structure described by Zr4Co2In5 crystallizes in the monoclinic P2/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), two equivalent In(2), and four equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Co(1), two equivalent In(1), two equivalent In(3), and four equivalent In(2) atoms. Co(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), one Co(1), one In(1), and one In(2) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), one Co(1), one In(2), one In(3), and three equivalent In(1) atoms to form a mixture of distorted face and corner-sharing InZr6In5Co cuboctahedra. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Zr(1), four equivalent Zr(2), one Co(1), one In(1), one In(3), and three equivalent In(2) atoms. In the third In site, In(3) is bonded in a 10-coordinate geometry to four equivalent Zr(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4In5Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.290
_cell_length_b   7.517
_cell_length_c   9.038
_cell_angle_alpha   94.781
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.748
_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  0.500  0.201  0.442  1.0
  Zr  Zr1  1  0.500  0.818  0.159  1.0
  Zr  Zr2  1  0.500  0.799  0.558  1.0
  Zr  Zr3  1  0.500  0.182  0.841  1.0
  In  In4  1  0.000  0.460  0.668  1.0
  In  In5  1  0.000  0.842  0.857  1.0
  In  In6  1  0.000  0.500  1.000  1.0
  In  In7  1  0.000  0.158  0.143  1.0
  In  In8  1  0.000  0.540  0.332  1.0
  Co  Co9  1  0.000  0.922  0.366  1.0
  Co  Co10  1  0.000  0.078  0.634  1.0
[/CIF]
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The material structure described by Zr4Co2In5 crystallizes in the monoclinic P2/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), two equivalent In(2), and four equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Co(1), two equivalent In(1), two equivalent In(3), and four equivalent In(2) atoms. Co(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), one Co(1), one In(1), and one In(2) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), one Co(1), one In(2), one In(3), and three equivalent In(1) atoms to form a mixture of distorted face and corner-sharing InZr6In5Co cuboctahedra. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Zr(1), four equivalent Zr(2), one Co(1), one In(1), one In(3), and three equivalent In(2) atoms. In the third In site, In(3) is bonded in a 10-coordinate geometry to four equivalent Zr(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4In5Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.290
_cell_length_b   7.517
_cell_length_c   9.038
_cell_angle_alpha   94.781
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.748
_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  0.500  0.201  0.442  1.0
  Zr  Zr1  1  0.500  0.818  0.159  1.0
  Zr  Zr2  1  0.500  0.799  0.558  1.0
  Zr  Zr3  1  0.500  0.182  0.841  1.0
  In  In4  1  0.000  0.460  0.668  1.0
  In  In5  1  0.000  0.842  0.857  1.0
  In  In6  1  0.000  0.500  1.000  1.0
  In  In7  1  0.000  0.158  0.143  1.0
  In  In8  1  0.000  0.540  0.332  1.0
  Co  Co9  1  0.000  0.922  0.366  1.0
  Co  Co10  1  0.000  0.078  0.634  1.0
[/CIF]
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