The material structure described by Ca4(PdP)5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Pd(3), one Pd(4), three equivalent Pd(1), two equivalent P(4), two equivalent P(5), and three equivalent P(1) atoms to form a mixture of edge and face-sharing CaP7Pd5 cuboctahedra. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to two equivalent Pd(2), two equivalent Pd(3), two equivalent Pd(4), two equivalent Pd(5), one P(4), one P(5), two equivalent P(2), and two equivalent P(3) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to six equivalent Ca(1), one P(5), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Ca(2), four equivalent Pd(5), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted face and corner-sharing PdCa4P4Pd4 cuboctahedra. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one P(3), and two equivalent P(4) atoms. In the fourth Pd site, Pd(4) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one P(2), and two equivalent P(5) atoms. In the fifth Pd site, Pd(5) is bonded to four equivalent Ca(2), four equivalent Pd(2), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted face and corner-sharing PdCa4P4Pd4 cuboctahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to six equivalent Ca(1), two equivalent Pd(1), and one P(4) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Ca(2), one Pd(4), two equivalent Pd(2), and two equivalent Pd(5) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Ca(2), one Pd(3), two equivalent Pd(2), and two equivalent Pd(5) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), two equivalent Pd(3), and one P(1) atom. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one Pd(1), and two equivalent Pd(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca4(PPd)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.730
_cell_length_b   15.730
_cell_length_c   8.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   164.895
_symmetry_Int_Tables_number   1
_cell_volume   532.847
_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  0.806  0.194  0.495  1.0
  Ca  Ca1  1  0.194  0.806  0.505  1.0
  Ca  Ca2  1  0.194  0.806  0.995  1.0
  Ca  Ca3  1  0.806  0.194  0.005  1.0
  Ca  Ca4  1  0.580  0.420  0.999  1.0
  Ca  Ca5  1  0.420  0.580  0.499  1.0
  Ca  Ca6  1  0.420  0.580  0.001  1.0
  Ca  Ca7  1  0.580  0.420  0.501  1.0
  P  P8  1  0.271  0.729  0.750  1.0
  P  P9  1  0.044  0.956  0.750  1.0
  P  P10  1  0.046  0.954  0.250  1.0
  P  P11  1  0.956  0.044  0.250  1.0
  P  P12  1  0.954  0.046  0.750  1.0
  P  P13  1  0.658  0.342  0.250  1.0
  P  P14  1  0.342  0.658  0.750  1.0
  P  P15  1  0.343  0.657  0.250  1.0
  P  P16  1  0.729  0.271  0.250  1.0
  P  P17  1  0.657  0.343  0.750  1.0
  Pd  Pd18  1  0.734  0.266  0.750  1.0
  Pd  Pd19  1  0.266  0.734  0.250  1.0
  Pd  Pd20  1  0.000  0.000  0.500  1.0
  Pd  Pd21  1  0.879  0.121  0.750  1.0
  Pd  Pd22  1  0.121  0.879  0.250  1.0
  Pd  Pd23  1  0.120  0.880  0.750  1.0
  Pd  Pd24  1  0.880  0.120  0.250  1.0
  Pd  Pd25  1  0.500  0.500  0.750  1.0
  Pd  Pd26  1  0.500  0.500  0.250  1.0
  Pd  Pd27  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by Ca4(PdP)5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Pd(3), one Pd(4), three equivalent Pd(1), two equivalent P(4), two equivalent P(5), and three equivalent P(1) atoms to form a mixture of edge and face-sharing CaP7Pd5 cuboctahedra. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to two equivalent Pd(2), two equivalent Pd(3), two equivalent Pd(4), two equivalent Pd(5), one P(4), one P(5), two equivalent P(2), and two equivalent P(3) atoms. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to six equivalent Ca(1), one P(5), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded to four equivalent Ca(2), four equivalent Pd(5), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted face and corner-sharing PdCa4P4Pd4 cuboctahedra. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one P(3), and two equivalent P(4) atoms. In the fourth Pd site, Pd(4) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one P(2), and two equivalent P(5) atoms. In the fifth Pd site, Pd(5) is bonded to four equivalent Ca(2), four equivalent Pd(2), two equivalent P(2), and two equivalent P(3) atoms to form a mixture of distorted face and corner-sharing PdCa4P4Pd4 cuboctahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to six equivalent Ca(1), two equivalent Pd(1), and one P(4) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Ca(2), one Pd(4), two equivalent Pd(2), and two equivalent Pd(5) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Ca(2), one Pd(3), two equivalent Pd(2), and two equivalent Pd(5) atoms. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), two equivalent Pd(3), and one P(1) atom. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one Pd(1), and two equivalent Pd(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca4(PPd)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.730
_cell_length_b   15.730
_cell_length_c   8.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   164.895
_symmetry_Int_Tables_number   1
_cell_volume   532.847
_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  0.806  0.194  0.495  1.0
  Ca  Ca1  1  0.194  0.806  0.505  1.0
  Ca  Ca2  1  0.194  0.806  0.995  1.0
  Ca  Ca3  1  0.806  0.194  0.005  1.0
  Ca  Ca4  1  0.580  0.420  0.999  1.0
  Ca  Ca5  1  0.420  0.580  0.499  1.0
  Ca  Ca6  1  0.420  0.580  0.001  1.0
  Ca  Ca7  1  0.580  0.420  0.501  1.0
  P  P8  1  0.271  0.729  0.750  1.0
  P  P9  1  0.044  0.956  0.750  1.0
  P  P10  1  0.046  0.954  0.250  1.0
  P  P11  1  0.956  0.044  0.250  1.0
  P  P12  1  0.954  0.046  0.750  1.0
  P  P13  1  0.658  0.342  0.250  1.0
  P  P14  1  0.342  0.658  0.750  1.0
  P  P15  1  0.343  0.657  0.250  1.0
  P  P16  1  0.729  0.271  0.250  1.0
  P  P17  1  0.657  0.343  0.750  1.0
  Pd  Pd18  1  0.734  0.266  0.750  1.0
  Pd  Pd19  1  0.266  0.734  0.250  1.0
  Pd  Pd20  1  0.000  0.000  0.500  1.0
  Pd  Pd21  1  0.879  0.121  0.750  1.0
  Pd  Pd22  1  0.121  0.879  0.250  1.0
  Pd  Pd23  1  0.120  0.880  0.750  1.0
  Pd  Pd24  1  0.880  0.120  0.250  1.0
  Pd  Pd25  1  0.500  0.500  0.750  1.0
  Pd  Pd26  1  0.500  0.500  0.250  1.0
  Pd  Pd27  1  0.000  0.000  0.000  1.0
[/CIF]
.