The material described by Ca5Cu2Cd crystallizes in the monoclinic C2/m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Cu(2), two equivalent Cu(1), and two equivalent Cd(1) atoms to form a mixture of distorted edge, corner, and face-sharing CaCd2Cu3 trigonal bipyramids. In the second Ca site, Ca(2) is bonded to one Cu(2), two equivalent Cu(1), and two equivalent Cd(1) atoms to form a mixture of distorted edge, corner, and face-sharing CaCd2Cu3 trigonal bipyramids. In the third Ca site, Ca(3) is bonded to one Cu(1), two equivalent Cu(2), and two equivalent Cd(1) atoms to form a mixture of distorted edge, corner, and face-sharing CaCd2Cu3 trigonal bipyramids. In the fourth Ca site, Ca(4) is bonded in a 4-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cd(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(4), and one Cu(1) atom. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(4), four equivalent Ca(3), and one Cu(2) atom. Cd(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(4), and four equivalent Ca(3) atoms. is represented by the CIF card [CIF]
data_Ca5CdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.905
_cell_length_b   7.905
_cell_length_c   9.236
_cell_angle_alpha   115.295
_cell_angle_beta   115.295
_cell_angle_gamma   89.979
_symmetry_Int_Tables_number   1
_cell_volume   459.966
_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
  Ca  Ca0  1  0.029  0.529  0.721  1.0
  Ca  Ca1  1  0.691  0.191  0.721  1.0
  Ca  Ca2  1  0.191  0.029  0.721  1.0
  Ca  Ca3  1  0.529  0.691  0.721  1.0
  Ca  Ca4  1  0.971  0.471  0.279  1.0
  Ca  Ca5  1  0.309  0.809  0.279  1.0
  Ca  Ca6  1  0.809  0.971  0.279  1.0
  Ca  Ca7  1  0.471  0.309  0.279  1.0
  Ca  Ca8  1  0.500  0.500  0.000  1.0
  Ca  Ca9  1  0.000  0.000  0.000  1.0
  Cd  Cd10  1  0.250  0.250  0.500  1.0
  Cd  Cd11  1  0.750  0.750  0.500  1.0
  Cu  Cu12  1  0.889  0.611  0.000  1.0
  Cu  Cu13  1  0.111  0.389  0.000  1.0
  Cu  Cu14  1  0.611  0.111  1.000  1.0
  Cu  Cu15  1  0.389  0.889  0.000  1.0
[/CIF]
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The material described by Ca5Cu2Cd crystallizes in the monoclinic C2/m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Cu(2), two equivalent Cu(1), and two equivalent Cd(1) atoms to form a mixture of distorted edge, corner, and face-sharing CaCd2Cu3 trigonal bipyramids. In the second Ca site, Ca(2) is bonded to one Cu(2), two equivalent Cu(1), and two equivalent Cd(1) atoms to form a mixture of distorted edge, corner, and face-sharing CaCd2Cu3 trigonal bipyramids. In the third Ca site, Ca(3) is bonded to one Cu(1), two equivalent Cu(2), and two equivalent Cd(1) atoms to form a mixture of distorted edge, corner, and face-sharing CaCd2Cu3 trigonal bipyramids. In the fourth Ca site, Ca(4) is bonded in a 4-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cd(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(4), and one Cu(1) atom. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(4), four equivalent Ca(3), and one Cu(2) atom. Cd(1) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(4), and four equivalent Ca(3) atoms. is represented by the CIF card [CIF]
data_Ca5CdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.905
_cell_length_b   7.905
_cell_length_c   9.236
_cell_angle_alpha   115.295
_cell_angle_beta   115.295
_cell_angle_gamma   89.979
_symmetry_Int_Tables_number   1
_cell_volume   459.966
_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
  Ca  Ca0  1  0.029  0.529  0.721  1.0
  Ca  Ca1  1  0.691  0.191  0.721  1.0
  Ca  Ca2  1  0.191  0.029  0.721  1.0
  Ca  Ca3  1  0.529  0.691  0.721  1.0
  Ca  Ca4  1  0.971  0.471  0.279  1.0
  Ca  Ca5  1  0.309  0.809  0.279  1.0
  Ca  Ca6  1  0.809  0.971  0.279  1.0
  Ca  Ca7  1  0.471  0.309  0.279  1.0
  Ca  Ca8  1  0.500  0.500  0.000  1.0
  Ca  Ca9  1  0.000  0.000  0.000  1.0
  Cd  Cd10  1  0.250  0.250  0.500  1.0
  Cd  Cd11  1  0.750  0.750  0.500  1.0
  Cu  Cu12  1  0.889  0.611  0.000  1.0
  Cu  Cu13  1  0.111  0.389  0.000  1.0
  Cu  Cu14  1  0.611  0.111  1.000  1.0
  Cu  Cu15  1  0.389  0.889  0.000  1.0
[/CIF]
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