The material described by GdCu6 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded in a 19-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), three equivalent Cu(4), four equivalent Cu(1), and six equivalent Cu(5) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 14-coordinate geometry to four equivalent Gd(1), one Cu(4), two equivalent Cu(2), three equivalent Cu(3), and four equivalent Cu(5) atoms. In the second Cu site, Cu(2) is bonded to three equivalent Gd(1), one Cu(4), two equivalent Cu(1), two equivalent Cu(3), and four equivalent Cu(5) atoms to form a mixture of distorted corner, edge, and face-sharing CuGd3Cu9 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to three equivalent Gd(1), one Cu(4), two equivalent Cu(2), two equivalent Cu(5), and three equivalent Cu(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 12-coordinate geometry to three equivalent Gd(1), one Cu(1), one Cu(2), one Cu(3), two equivalent Cu(4), and four equivalent Cu(5) atoms. In the fifth Cu site, Cu(5) is bonded to three equivalent Gd(1), one Cu(3), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(5) atoms to form a mixture of corner, edge, and face-sharing CuGd3Cu9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdCu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.058
_cell_length_b   8.027
_cell_length_c   9.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   405.269
_cell_formula_units_Z   4
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  0.750  0.241  0.065  1.0
  Gd  Gd1  1  0.750  0.741  0.435  1.0
  Gd  Gd2  1  0.250  0.759  0.935  1.0
  Gd  Gd3  1  0.250  0.259  0.565  1.0
  Cu  Cu4  1  0.750  0.352  0.355  1.0
  Cu  Cu5  1  0.750  0.852  0.145  1.0
  Cu  Cu6  1  0.250  0.648  0.645  1.0
  Cu  Cu7  1  0.250  0.148  0.855  1.0
  Cu  Cu8  1  0.750  0.186  0.759  1.0
  Cu  Cu9  1  0.750  0.686  0.741  1.0
  Cu  Cu10  1  0.250  0.814  0.241  1.0
  Cu  Cu11  1  0.250  0.314  0.259  1.0
  Cu  Cu12  1  0.750  0.438  0.594  1.0
  Cu  Cu13  1  0.750  0.938  0.906  1.0
  Cu  Cu14  1  0.250  0.562  0.406  1.0
  Cu  Cu15  1  0.250  0.062  0.094  1.0
  Cu  Cu16  1  0.750  0.104  0.519  1.0
  Cu  Cu17  1  0.750  0.604  0.981  1.0
  Cu  Cu18  1  0.250  0.896  0.481  1.0
  Cu  Cu19  1  0.250  0.396  0.019  1.0
  Cu  Cu20  1  0.007  0.438  0.809  1.0
  Cu  Cu21  1  0.493  0.938  0.691  1.0
  Cu  Cu22  1  0.507  0.562  0.191  1.0
  Cu  Cu23  1  0.993  0.062  0.309  1.0
  Cu  Cu24  1  0.993  0.562  0.191  1.0
  Cu  Cu25  1  0.507  0.062  0.309  1.0
  Cu  Cu26  1  0.493  0.438  0.809  1.0
  Cu  Cu27  1  0.007  0.938  0.691  1.0
[/CIF]
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The material described by GdCu6 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pnma space group. Gd(1) is bonded in a 19-coordinate geometry to three equivalent Cu(2), three equivalent Cu(3), three equivalent Cu(4), four equivalent Cu(1), and six equivalent Cu(5) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 14-coordinate geometry to four equivalent Gd(1), one Cu(4), two equivalent Cu(2), three equivalent Cu(3), and four equivalent Cu(5) atoms. In the second Cu site, Cu(2) is bonded to three equivalent Gd(1), one Cu(4), two equivalent Cu(1), two equivalent Cu(3), and four equivalent Cu(5) atoms to form a mixture of distorted corner, edge, and face-sharing CuGd3Cu9 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to three equivalent Gd(1), one Cu(4), two equivalent Cu(2), two equivalent Cu(5), and three equivalent Cu(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 12-coordinate geometry to three equivalent Gd(1), one Cu(1), one Cu(2), one Cu(3), two equivalent Cu(4), and four equivalent Cu(5) atoms. In the fifth Cu site, Cu(5) is bonded to three equivalent Gd(1), one Cu(3), two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(4), and two equivalent Cu(5) atoms to form a mixture of corner, edge, and face-sharing CuGd3Cu9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GdCu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.058
_cell_length_b   8.027
_cell_length_c   9.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   405.269
_cell_formula_units_Z   4
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  0.750  0.241  0.065  1.0
  Gd  Gd1  1  0.750  0.741  0.435  1.0
  Gd  Gd2  1  0.250  0.759  0.935  1.0
  Gd  Gd3  1  0.250  0.259  0.565  1.0
  Cu  Cu4  1  0.750  0.352  0.355  1.0
  Cu  Cu5  1  0.750  0.852  0.145  1.0
  Cu  Cu6  1  0.250  0.648  0.645  1.0
  Cu  Cu7  1  0.250  0.148  0.855  1.0
  Cu  Cu8  1  0.750  0.186  0.759  1.0
  Cu  Cu9  1  0.750  0.686  0.741  1.0
  Cu  Cu10  1  0.250  0.814  0.241  1.0
  Cu  Cu11  1  0.250  0.314  0.259  1.0
  Cu  Cu12  1  0.750  0.438  0.594  1.0
  Cu  Cu13  1  0.750  0.938  0.906  1.0
  Cu  Cu14  1  0.250  0.562  0.406  1.0
  Cu  Cu15  1  0.250  0.062  0.094  1.0
  Cu  Cu16  1  0.750  0.104  0.519  1.0
  Cu  Cu17  1  0.750  0.604  0.981  1.0
  Cu  Cu18  1  0.250  0.896  0.481  1.0
  Cu  Cu19  1  0.250  0.396  0.019  1.0
  Cu  Cu20  1  0.007  0.438  0.809  1.0
  Cu  Cu21  1  0.493  0.938  0.691  1.0
  Cu  Cu22  1  0.507  0.562  0.191  1.0
  Cu  Cu23  1  0.993  0.062  0.309  1.0
  Cu  Cu24  1  0.993  0.562  0.191  1.0
  Cu  Cu25  1  0.507  0.062  0.309  1.0
  Cu  Cu26  1  0.493  0.438  0.809  1.0
  Cu  Cu27  1  0.007  0.938  0.691  1.0
[/CIF]
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