The material structure described by Y2CuIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Cu(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms to form distorted YIn10Cu2 cuboctahedra that share edges with four equivalent Y(1)In10Cu2 cuboctahedra, edges with eight equivalent Y(2)In8Cu4 cuboctahedra, faces with four equivalent Y(1)In10Cu2 cuboctahedra, and faces with four equivalent Y(2)In8Cu4 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form distorted YIn8Cu4 cuboctahedra that share edges with four equivalent Y(2)In8Cu4 cuboctahedra, edges with eight equivalent Y(1)In10Cu2 cuboctahedra, faces with four equivalent Y(1)In10Cu2 cuboctahedra, and faces with four equivalent Y(2)In8Cu4 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one Cu(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Y2In3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.602
_cell_length_b   4.773
_cell_length_c   8.303
_cell_angle_alpha   90.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.750
_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
  Y  Y0  1  0.000  1.000  0.009  1.0
  Y  Y1  1  0.000  0.500  0.496  1.0
  In  In2  1  0.500  0.500  0.838  1.0
  In  In3  1  0.500  0.500  0.184  1.0
  In  In4  1  0.500  0.000  0.645  1.0
  Cu  Cu5  1  0.500  1.000  0.328  1.0
[/CIF]
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The material structure described by Y2CuIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Cu(1), two equivalent In(3), four equivalent In(1), and four equivalent In(2) atoms to form distorted YIn10Cu2 cuboctahedra that share edges with four equivalent Y(1)In10Cu2 cuboctahedra, edges with eight equivalent Y(2)In8Cu4 cuboctahedra, faces with four equivalent Y(1)In10Cu2 cuboctahedra, and faces with four equivalent Y(2)In8Cu4 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form distorted YIn8Cu4 cuboctahedra that share edges with four equivalent Y(2)In8Cu4 cuboctahedra, edges with eight equivalent Y(1)In10Cu2 cuboctahedra, faces with four equivalent Y(1)In10Cu2 cuboctahedra, and faces with four equivalent Y(2)In8Cu4 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one In(3), and two equivalent In(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), one In(2), and two equivalent In(3) atoms. In the second In site, In(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(1), two equivalent Cu(1), and one In(1) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(2), one Cu(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_Y2In3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.602
_cell_length_b   4.773
_cell_length_c   8.303
_cell_angle_alpha   90.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.750
_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
  Y  Y0  1  0.000  1.000  0.009  1.0
  Y  Y1  1  0.000  0.500  0.496  1.0
  In  In2  1  0.500  0.500  0.838  1.0
  In  In3  1  0.500  0.500  0.184  1.0
  In  In4  1  0.500  0.000  0.645  1.0
  Cu  Cu5  1  0.500  1.000  0.328  1.0
[/CIF]
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