The structure described by Nd2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), two equivalent Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(2) atoms. In the second Cu site, Cu(2) is bonded to four equivalent Nd(1), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted CuNd4Ga8 cuboctahedra that share corners with four equivalent Cu(2)Nd4Ga8 cuboctahedra, faces with four equivalent Cu(2)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Cu(2), one Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Cu(1), two equivalent Cu(3), and one Ga(1) atom. In the third Ga site, Ga(3) is bonded to four equivalent Nd(1), four equivalent Cu(2), and four equivalent Ga(1) atoms to form GaNd4Ga4Cu4 cuboctahedra that share corners with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra, faces with four equivalent Cu(2)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd2Ga5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.185
_cell_length_b   4.185
_cell_length_c   10.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.093
_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
  Nd  Nd0  1  0.500  0.000  0.743  1.0
  Nd  Nd1  1  0.000  0.500  0.257  1.0
  Ga  Ga2  1  0.000  0.500  0.863  1.0
  Ga  Ga3  1  0.500  0.000  0.380  1.0
  Ga  Ga4  1  0.500  0.000  0.137  1.0
  Ga  Ga5  1  0.000  0.500  0.620  1.0
  Ga  Ga6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Nd2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), two equivalent Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(2) atoms. In the second Cu site, Cu(2) is bonded to four equivalent Nd(1), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted CuNd4Ga8 cuboctahedra that share corners with four equivalent Cu(2)Nd4Ga8 cuboctahedra, faces with four equivalent Cu(2)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Cu(2), one Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Cu(1), two equivalent Cu(3), and one Ga(1) atom. In the third Ga site, Ga(3) is bonded to four equivalent Nd(1), four equivalent Cu(2), and four equivalent Ga(1) atoms to form GaNd4Ga4Cu4 cuboctahedra that share corners with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra, faces with four equivalent Cu(2)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd2Ga5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.185
_cell_length_b   4.185
_cell_length_c   10.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.093
_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
  Nd  Nd0  1  0.500  0.000  0.743  1.0
  Nd  Nd1  1  0.000  0.500  0.257  1.0
  Ga  Ga2  1  0.000  0.500  0.863  1.0
  Ga  Ga3  1  0.500  0.000  0.380  1.0
  Ga  Ga4  1  0.500  0.000  0.137  1.0
  Ga  Ga5  1  0.000  0.500  0.620  1.0
  Ga  Ga6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.500  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
[/CIF]
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