The material structure described by Ca3(PtCd2)4 crystallizes in the cubic Fm-3m space group. Ca(1) is bonded in a distorted single-bond geometry to one Pt(3), four equivalent Pt(1), four equivalent Cd(1), and four equivalent Cd(2) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Ca(1), four equivalent Cd(1), and four equivalent Cd(2) atoms to form distorted PtCa4Cd8 cuboctahedra that share corners with four equivalent Pt(1)Ca4Cd8 cuboctahedra, edges with two equivalent Pt(3)Ca6 octahedra, and faces with eight equivalent Pt(1)Ca4Cd8 cuboctahedra. In the second Pt site, Pt(2) is bonded in a body-centered cubic geometry to eight equivalent Cd(1) atoms. In the third Pt site, Pt(3) is bonded to six equivalent Ca(1) atoms to form edge-sharing PtCa6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(2) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Pt(1) atoms. In the second Cd site, Cd(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), one Pt(2), and three equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_Ca3(Cd2Pt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.714
_cell_length_b   9.714
_cell_length_c   9.714
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   648.105
_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  0.789  0.789  0.211  1.0
  Ca  Ca1  1  0.211  0.789  0.211  1.0
  Ca  Ca2  1  0.789  0.211  0.211  1.0
  Ca  Ca3  1  0.211  0.211  0.789  1.0
  Ca  Ca4  1  0.789  0.211  0.789  1.0
  Ca  Ca5  1  0.211  0.789  0.789  1.0
  Cd  Cd6  1  0.620  0.620  0.141  1.0
  Cd  Cd7  1  0.620  0.141  0.620  1.0
  Cd  Cd8  1  0.141  0.620  0.620  1.0
  Cd  Cd9  1  0.620  0.620  0.620  1.0
  Cd  Cd10  1  0.380  0.380  0.859  1.0
  Cd  Cd11  1  0.380  0.859  0.380  1.0
  Cd  Cd12  1  0.859  0.380  0.380  1.0
  Cd  Cd13  1  0.380  0.380  0.380  1.0
  Cd  Cd14  1  0.835  0.835  0.494  1.0
  Cd  Cd15  1  0.835  0.494  0.835  1.0
  Cd  Cd16  1  0.494  0.835  0.835  1.0
  Cd  Cd17  1  0.835  0.835  0.835  1.0
  Cd  Cd18  1  0.165  0.165  0.506  1.0
  Cd  Cd19  1  0.165  0.506  0.165  1.0
  Cd  Cd20  1  0.506  0.165  0.165  1.0
  Cd  Cd21  1  0.165  0.165  0.165  1.0
  Pt  Pt22  1  0.000  0.000  0.500  1.0
  Pt  Pt23  1  0.500  0.000  0.500  1.0
  Pt  Pt24  1  0.000  0.500  0.500  1.0
  Pt  Pt25  1  0.500  0.500  0.000  1.0
  Pt  Pt26  1  0.000  0.500  0.000  1.0
  Pt  Pt27  1  0.500  0.000  0.000  1.0
  Pt  Pt28  1  0.500  0.500  0.500  1.0
  Pt  Pt29  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Ca3(PtCd2)4 crystallizes in the cubic Fm-3m space group. Ca(1) is bonded in a distorted single-bond geometry to one Pt(3), four equivalent Pt(1), four equivalent Cd(1), and four equivalent Cd(2) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Ca(1), four equivalent Cd(1), and four equivalent Cd(2) atoms to form distorted PtCa4Cd8 cuboctahedra that share corners with four equivalent Pt(1)Ca4Cd8 cuboctahedra, edges with two equivalent Pt(3)Ca6 octahedra, and faces with eight equivalent Pt(1)Ca4Cd8 cuboctahedra. In the second Pt site, Pt(2) is bonded in a body-centered cubic geometry to eight equivalent Cd(1) atoms. In the third Pt site, Pt(3) is bonded to six equivalent Ca(1) atoms to form edge-sharing PtCa6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(2) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Pt(1) atoms. In the second Cd site, Cd(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), one Pt(2), and three equivalent Pt(1) atoms. is represented by the CIF card [CIF]
data_Ca3(Cd2Pt)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.714
_cell_length_b   9.714
_cell_length_c   9.714
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   648.105
_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  0.789  0.789  0.211  1.0
  Ca  Ca1  1  0.211  0.789  0.211  1.0
  Ca  Ca2  1  0.789  0.211  0.211  1.0
  Ca  Ca3  1  0.211  0.211  0.789  1.0
  Ca  Ca4  1  0.789  0.211  0.789  1.0
  Ca  Ca5  1  0.211  0.789  0.789  1.0
  Cd  Cd6  1  0.620  0.620  0.141  1.0
  Cd  Cd7  1  0.620  0.141  0.620  1.0
  Cd  Cd8  1  0.141  0.620  0.620  1.0
  Cd  Cd9  1  0.620  0.620  0.620  1.0
  Cd  Cd10  1  0.380  0.380  0.859  1.0
  Cd  Cd11  1  0.380  0.859  0.380  1.0
  Cd  Cd12  1  0.859  0.380  0.380  1.0
  Cd  Cd13  1  0.380  0.380  0.380  1.0
  Cd  Cd14  1  0.835  0.835  0.494  1.0
  Cd  Cd15  1  0.835  0.494  0.835  1.0
  Cd  Cd16  1  0.494  0.835  0.835  1.0
  Cd  Cd17  1  0.835  0.835  0.835  1.0
  Cd  Cd18  1  0.165  0.165  0.506  1.0
  Cd  Cd19  1  0.165  0.506  0.165  1.0
  Cd  Cd20  1  0.506  0.165  0.165  1.0
  Cd  Cd21  1  0.165  0.165  0.165  1.0
  Pt  Pt22  1  0.000  0.000  0.500  1.0
  Pt  Pt23  1  0.500  0.000  0.500  1.0
  Pt  Pt24  1  0.000  0.500  0.500  1.0
  Pt  Pt25  1  0.500  0.500  0.000  1.0
  Pt  Pt26  1  0.000  0.500  0.000  1.0
  Pt  Pt27  1  0.500  0.000  0.000  1.0
  Pt  Pt28  1  0.500  0.500  0.500  1.0
  Pt  Pt29  1  0.000  0.000  0.000  1.0
[/CIF]
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