The material described by Cd3(CuP5)2 crystallizes in the trigonal R3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one P(4) and three equivalent P(3) atoms to form CuP4 tetrahedra that share corners with six equivalent P(2)Cd2P2 tetrahedra and corners with six equivalent P(1)CdCuP2 tetrahedra. In the second Cu site, Cu(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent P(1) atoms. Cd(1) is bonded in a 3-coordinate geometry to one P(1) and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Cu(2), one Cd(1), and two equivalent P(3) atoms to form PCdCuP2 tetrahedra that share corners with two equivalent Cu(1)P4 tetrahedra, corners with four equivalent P(2)Cd2P2 tetrahedra, and corners with four equivalent P(1)CdCuP2 tetrahedra. In the second P site, P(2) is bonded to two equivalent Cd(1), one P(3), and one P(4) atom to form PCd2P2 tetrahedra that share corners with two equivalent Cu(1)P4 tetrahedra, corners with four equivalent P(2)Cd2P2 tetrahedra, and corners with four equivalent P(1)CdCuP2 tetrahedra. In the third P site, P(3) is bonded to one Cu(1), one P(2), and two equivalent P(1) atoms to form corner-sharing PCuP3 tetrahedra. In the fourth P site, P(4) is bonded to one Cu(1) and three equivalent P(2) atoms to form corner-sharing PCuP3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3(CuP5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.417
_cell_length_b   7.417
_cell_length_c   7.417
_cell_angle_alpha   60.097
_cell_angle_beta   60.097
_cell_angle_gamma   60.097
_symmetry_Int_Tables_number   1
_cell_volume   289.117
_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
  Cd  Cd0  1  0.405  0.405  0.785  1.0
  Cd  Cd1  1  0.785  0.405  0.405  1.0
  Cd  Cd2  1  0.405  0.785  0.405  1.0
  Cu  Cu3  1  0.001  0.001  0.001  1.0
  Cu  Cu4  1  0.386  0.386  0.386  1.0
  P  P5  1  0.007  0.508  0.508  1.0
  P  P6  1  0.508  0.508  0.007  1.0
  P  P7  1  0.508  0.007  0.508  1.0
  P  P8  1  0.513  0.989  0.989  1.0
  P  P9  1  0.989  0.513  0.989  1.0
  P  P10  1  0.989  0.989  0.513  1.0
  P  P11  1  0.872  0.872  0.386  1.0
  P  P12  1  0.872  0.386  0.872  1.0
  P  P13  1  0.386  0.872  0.872  1.0
  P  P14  1  0.873  0.873  0.873  1.0
[/CIF]
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The material described by Cd3(CuP5)2 crystallizes in the trigonal R3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one P(4) and three equivalent P(3) atoms to form CuP4 tetrahedra that share corners with six equivalent P(2)Cd2P2 tetrahedra and corners with six equivalent P(1)CdCuP2 tetrahedra. In the second Cu site, Cu(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent P(1) atoms. Cd(1) is bonded in a 3-coordinate geometry to one P(1) and two equivalent P(2) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Cu(2), one Cd(1), and two equivalent P(3) atoms to form PCdCuP2 tetrahedra that share corners with two equivalent Cu(1)P4 tetrahedra, corners with four equivalent P(2)Cd2P2 tetrahedra, and corners with four equivalent P(1)CdCuP2 tetrahedra. In the second P site, P(2) is bonded to two equivalent Cd(1), one P(3), and one P(4) atom to form PCd2P2 tetrahedra that share corners with two equivalent Cu(1)P4 tetrahedra, corners with four equivalent P(2)Cd2P2 tetrahedra, and corners with four equivalent P(1)CdCuP2 tetrahedra. In the third P site, P(3) is bonded to one Cu(1), one P(2), and two equivalent P(1) atoms to form corner-sharing PCuP3 tetrahedra. In the fourth P site, P(4) is bonded to one Cu(1) and three equivalent P(2) atoms to form corner-sharing PCuP3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd3(CuP5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.417
_cell_length_b   7.417
_cell_length_c   7.417
_cell_angle_alpha   60.097
_cell_angle_beta   60.097
_cell_angle_gamma   60.097
_symmetry_Int_Tables_number   1
_cell_volume   289.117
_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
  Cd  Cd0  1  0.405  0.405  0.785  1.0
  Cd  Cd1  1  0.785  0.405  0.405  1.0
  Cd  Cd2  1  0.405  0.785  0.405  1.0
  Cu  Cu3  1  0.001  0.001  0.001  1.0
  Cu  Cu4  1  0.386  0.386  0.386  1.0
  P  P5  1  0.007  0.508  0.508  1.0
  P  P6  1  0.508  0.508  0.007  1.0
  P  P7  1  0.508  0.007  0.508  1.0
  P  P8  1  0.513  0.989  0.989  1.0
  P  P9  1  0.989  0.513  0.989  1.0
  P  P10  1  0.989  0.989  0.513  1.0
  P  P11  1  0.872  0.872  0.386  1.0
  P  P12  1  0.872  0.386  0.872  1.0
  P  P13  1  0.386  0.872  0.872  1.0
  P  P14  1  0.873  0.873  0.873  1.0
[/CIF]
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