The material structure described by Gd5CuBi3 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent Cu(1), one Bi(1), two equivalent Bi(3), and two equivalent Bi(4) atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. In the second Gd site, Gd(2) is bonded to two equivalent Cu(1), one Bi(2), two equivalent Bi(3), and two equivalent Bi(4) atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. In the third Gd site, Gd(3) is bonded in a 6-coordinate geometry to one Bi(1), one Bi(2), two equivalent Bi(3), and two equivalent Bi(4) atoms. In the fourth Gd site, Gd(4) is bonded to two equivalent Cu(1), one Bi(2), two equivalent Bi(1), and two equivalent Bi(4) atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. In the fifth Gd site, Gd(5) is bonded to two equivalent Cu(1), one Bi(1), two equivalent Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. Cu(1) is bonded to one Gd(4), one Gd(5), two equivalent Gd(1), and two equivalent Gd(2) atoms to form face-sharing CuGd6 octahedra. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Gd(5), two equivalent Gd(1), two equivalent Gd(4), and four equivalent Gd(3) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Gd(4), two equivalent Gd(2), two equivalent Gd(5), and four equivalent Gd(3) atoms. In the third Bi site, Bi(3) is bonded in a 9-coordinate geometry to one Gd(5), two equivalent Gd(1), two equivalent Gd(2), and four equivalent Gd(3) atoms. In the fourth Bi site, Bi(4) is bonded in a 9-coordinate geometry to one Gd(4), two equivalent Gd(1), two equivalent Gd(2), and four equivalent Gd(3) atoms. is represented by the CIF card [CIF]
data_Gd5CuBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.391
_cell_length_b   9.413
_cell_length_c   6.488
_cell_angle_alpha   89.998
_cell_angle_beta   90.002
_cell_angle_gamma   119.923
_symmetry_Int_Tables_number   1
_cell_volume   497.065
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.249  0.250  0.750  1.0
  Gd  Gd1  1  0.750  0.749  0.250  1.0
  Gd  Gd2  1  0.332  0.668  0.499  1.0
  Gd  Gd3  1  0.256  0.000  0.250  1.0
  Gd  Gd4  1  0.665  0.332  0.499  1.0
  Gd  Gd5  1  0.999  0.750  0.750  1.0
  Gd  Gd6  1  0.665  0.332  0.001  1.0
  Gd  Gd7  1  0.001  0.251  0.250  1.0
  Gd  Gd8  1  0.750  1.000  0.750  1.0
  Gd  Gd9  1  0.332  0.668  0.001  1.0
  Cu  Cu10  1  0.002  1.000  0.001  1.0
  Cu  Cu11  1  0.002  1.000  0.499  1.0
  Bi  Bi12  1  0.388  1.000  0.750  1.0
  Bi  Bi13  1  0.615  0.000  0.250  1.0
  Bi  Bi14  1  0.610  0.611  0.750  1.0
  Bi  Bi15  1  0.999  0.612  0.250  1.0
  Bi  Bi16  1  0.999  0.389  0.750  1.0
  Bi  Bi17  1  0.387  0.388  0.250  1.0
[/CIF]
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The material structure described by Gd5CuBi3 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent Cu(1), one Bi(1), two equivalent Bi(3), and two equivalent Bi(4) atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. In the second Gd site, Gd(2) is bonded to two equivalent Cu(1), one Bi(2), two equivalent Bi(3), and two equivalent Bi(4) atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. In the third Gd site, Gd(3) is bonded in a 6-coordinate geometry to one Bi(1), one Bi(2), two equivalent Bi(3), and two equivalent Bi(4) atoms. In the fourth Gd site, Gd(4) is bonded to two equivalent Cu(1), one Bi(2), two equivalent Bi(1), and two equivalent Bi(4) atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. In the fifth Gd site, Gd(5) is bonded to two equivalent Cu(1), one Bi(1), two equivalent Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted edge, face, and corner-sharing GdCu2Bi5 pentagonal bipyramids. Cu(1) is bonded to one Gd(4), one Gd(5), two equivalent Gd(1), and two equivalent Gd(2) atoms to form face-sharing CuGd6 octahedra. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one Gd(5), two equivalent Gd(1), two equivalent Gd(4), and four equivalent Gd(3) atoms. In the second Bi site, Bi(2) is bonded in a 9-coordinate geometry to one Gd(4), two equivalent Gd(2), two equivalent Gd(5), and four equivalent Gd(3) atoms. In the third Bi site, Bi(3) is bonded in a 9-coordinate geometry to one Gd(5), two equivalent Gd(1), two equivalent Gd(2), and four equivalent Gd(3) atoms. In the fourth Bi site, Bi(4) is bonded in a 9-coordinate geometry to one Gd(4), two equivalent Gd(1), two equivalent Gd(2), and four equivalent Gd(3) atoms. is represented by the CIF card [CIF]
data_Gd5CuBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.391
_cell_length_b   9.413
_cell_length_c   6.488
_cell_angle_alpha   89.998
_cell_angle_beta   90.002
_cell_angle_gamma   119.923
_symmetry_Int_Tables_number   1
_cell_volume   497.065
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.249  0.250  0.750  1.0
  Gd  Gd1  1  0.750  0.749  0.250  1.0
  Gd  Gd2  1  0.332  0.668  0.499  1.0
  Gd  Gd3  1  0.256  0.000  0.250  1.0
  Gd  Gd4  1  0.665  0.332  0.499  1.0
  Gd  Gd5  1  0.999  0.750  0.750  1.0
  Gd  Gd6  1  0.665  0.332  0.001  1.0
  Gd  Gd7  1  0.001  0.251  0.250  1.0
  Gd  Gd8  1  0.750  1.000  0.750  1.0
  Gd  Gd9  1  0.332  0.668  0.001  1.0
  Cu  Cu10  1  0.002  1.000  0.001  1.0
  Cu  Cu11  1  0.002  1.000  0.499  1.0
  Bi  Bi12  1  0.388  1.000  0.750  1.0
  Bi  Bi13  1  0.615  0.000  0.250  1.0
  Bi  Bi14  1  0.610  0.611  0.750  1.0
  Bi  Bi15  1  0.999  0.612  0.250  1.0
  Bi  Bi16  1  0.999  0.389  0.750  1.0
  Bi  Bi17  1  0.387  0.388  0.250  1.0
[/CIF]
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