The material described by Tb2CuIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(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 TbIn10Cu2 cuboctahedra that share edges with four equivalent Tb(1)In10Cu2 cuboctahedra, edges with eight equivalent Tb(2)In8Cu4 cuboctahedra, faces with four equivalent Tb(1)In10Cu2 cuboctahedra, and faces with four equivalent Tb(2)In8Cu4 cuboctahedra. In the second Tb site, Tb(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 TbIn8Cu4 cuboctahedra that share edges with four equivalent Tb(2)In8Cu4 cuboctahedra, edges with eight equivalent Tb(1)In10Cu2 cuboctahedra, faces with four equivalent Tb(1)In10Cu2 cuboctahedra, and faces with four equivalent Tb(2)In8Cu4 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), four equivalent Tb(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 Tb(2), four equivalent Tb(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 Tb(2), four equivalent Tb(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 Tb(1), four equivalent Tb(2), one Cu(1), and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2In3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.611
_cell_length_b   4.785
_cell_length_c   8.329
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.921
_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
  Tb  Tb0  1  0.000  1.000  0.008  1.0
  Tb  Tb1  1  0.000  0.500  0.496  1.0
  In  In2  1  0.500  0.500  0.837  1.0
  In  In3  1  0.500  0.500  0.183  1.0
  In  In4  1  0.500  1.000  0.647  1.0
  Cu  Cu5  1  0.500  1.000  0.330  1.0
[/CIF]
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The material described by Tb2CuIn3 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(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 TbIn10Cu2 cuboctahedra that share edges with four equivalent Tb(1)In10Cu2 cuboctahedra, edges with eight equivalent Tb(2)In8Cu4 cuboctahedra, faces with four equivalent Tb(1)In10Cu2 cuboctahedra, and faces with four equivalent Tb(2)In8Cu4 cuboctahedra. In the second Tb site, Tb(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 TbIn8Cu4 cuboctahedra that share edges with four equivalent Tb(2)In8Cu4 cuboctahedra, edges with eight equivalent Tb(1)In10Cu2 cuboctahedra, faces with four equivalent Tb(1)In10Cu2 cuboctahedra, and faces with four equivalent Tb(2)In8Cu4 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), four equivalent Tb(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 Tb(2), four equivalent Tb(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 Tb(2), four equivalent Tb(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 Tb(1), four equivalent Tb(2), one Cu(1), and two equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2In3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.611
_cell_length_b   4.785
_cell_length_c   8.329
_cell_angle_alpha   89.995
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.921
_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
  Tb  Tb0  1  0.000  1.000  0.008  1.0
  Tb  Tb1  1  0.000  0.500  0.496  1.0
  In  In2  1  0.500  0.500  0.837  1.0
  In  In3  1  0.500  0.500  0.183  1.0
  In  In4  1  0.500  1.000  0.647  1.0
  Cu  Cu5  1  0.500  1.000  0.330  1.0
[/CIF]
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