The material structure described by Sr2(PdP)3 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 14-coordinate geometry to two equivalent Pd(4), two equivalent Pd(7), four equivalent Pd(3), two equivalent P(6), and four equivalent P(2) atoms. In the second Sr site, Sr(2) is bonded in a 14-coordinate geometry to two equivalent Pd(2); two equivalent Pd(3); two equivalent Pd(5); four equivalent P(3,4); and four equivalent P(6) atoms. In the third Sr site, Sr(3) is bonded in a 14-coordinate geometry to two equivalent Pd(1); two equivalent Pd(2); two equivalent Pd(5); four equivalent P(3,4); and four equivalent P(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 14-coordinate geometry to two equivalent Pd(6), two equivalent Pd(8), four equivalent Pd(1), two equivalent P(5), and four equivalent P(1) atoms. There are eight inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Sr(3), four equivalent Sr(4), one P(1), and two equivalent P(5) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to two equivalent Sr(2); two equivalent Sr(3); and four equivalent P(3,4) atoms. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), one P(2), and two equivalent P(6) atoms. In the fourth Pd site, Pd(4) is bonded to four equivalent Sr(1), four equivalent Pd(7), and four equivalent P(2) atoms to form a mixture of distorted face and corner-sharing PdSr4P4Pd4 cuboctahedra. In the fifth Pd site, Pd(5) is bonded in a 8-coordinate geometry to two equivalent Sr(2); two equivalent Sr(3); and four equivalent P(3,4) atoms. In the sixth Pd site, Pd(6) is bonded to four equivalent Sr(4) and four equivalent P(1) atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. In the seventh Pd site, Pd(7) is bonded to four equivalent Sr(1), four equivalent Pd(4), and four equivalent P(2) atoms to form a mixture of distorted face and corner-sharing PdSr4P4Pd4 cuboctahedra. In the eighth Pd site, Pd(8) is bonded to four equivalent Sr(4) and four equivalent P(1) atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Sr(4), one Pd(1), two equivalent Pd(6), and two equivalent Pd(8) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Pd(3), two equivalent Pd(4), and two equivalent Pd(7) atoms. In the third P site, P(3,4) is bonded in a 9-coordinate geometry to four equivalent Sr(3), two equivalent Pd(2), two equivalent Pd(5), and one P(5) atom. In the fourth P site, P(5) is bonded in a 9-coordinate geometry to two equivalent Sr(4); four equivalent Sr(3); two equivalent Pd(1); and one P(3,4) atom. In the fifth P site, P(6) is bonded in a 9-coordinate geometry to two equivalent Sr(1); four equivalent Sr(2); two equivalent Pd(3); and one P(3,4) atom. is represented by the CIF card [CIF]
data_Sr2(PPd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.198
_cell_length_b   4.249
_cell_length_c   17.429
_cell_angle_alpha   82.999
_cell_angle_beta   83.082
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.297
_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
  P  P0  1  0.040  0.040  0.920  1.0
  P  P1  1  0.960  0.960  0.080  1.0
  P  P2  1  0.289  0.789  0.423  1.0
  P  P3  1  0.711  0.211  0.577  1.0
  P  P4  1  0.646  0.146  0.708  1.0
  P  P5  1  0.354  0.854  0.292  1.0
  Pd  Pd6  1  0.110  0.110  0.780  1.0
  Pd  Pd7  1  0.890  0.890  0.220  1.0
  Pd  Pd8  1  0.249  0.249  0.501  1.0
  Pd  Pd9  1  0.751  0.751  0.499  1.0
  Pd  Pd10  1  0.500  0.000  0.000  1.0
  Pd  Pd11  1  0.000  0.500  1.000  1.0
  Sr  Sr12  1  0.573  0.573  0.855  1.0
  Sr  Sr13  1  0.823  0.323  0.355  1.0
  Sr  Sr14  1  0.177  0.677  0.645  1.0
  Sr  Sr15  1  0.427  0.427  0.145  1.0
[/CIF]
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The material structure described by Sr2(PdP)3 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 14-coordinate geometry to two equivalent Pd(4), two equivalent Pd(7), four equivalent Pd(3), two equivalent P(6), and four equivalent P(2) atoms. In the second Sr site, Sr(2) is bonded in a 14-coordinate geometry to two equivalent Pd(2); two equivalent Pd(3); two equivalent Pd(5); four equivalent P(3,4); and four equivalent P(6) atoms. In the third Sr site, Sr(3) is bonded in a 14-coordinate geometry to two equivalent Pd(1); two equivalent Pd(2); two equivalent Pd(5); four equivalent P(3,4); and four equivalent P(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 14-coordinate geometry to two equivalent Pd(6), two equivalent Pd(8), four equivalent Pd(1), two equivalent P(5), and four equivalent P(1) atoms. There are eight inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Sr(3), four equivalent Sr(4), one P(1), and two equivalent P(5) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to two equivalent Sr(2); two equivalent Sr(3); and four equivalent P(3,4) atoms. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Sr(2), four equivalent Sr(1), one P(2), and two equivalent P(6) atoms. In the fourth Pd site, Pd(4) is bonded to four equivalent Sr(1), four equivalent Pd(7), and four equivalent P(2) atoms to form a mixture of distorted face and corner-sharing PdSr4P4Pd4 cuboctahedra. In the fifth Pd site, Pd(5) is bonded in a 8-coordinate geometry to two equivalent Sr(2); two equivalent Sr(3); and four equivalent P(3,4) atoms. In the sixth Pd site, Pd(6) is bonded to four equivalent Sr(4) and four equivalent P(1) atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. In the seventh Pd site, Pd(7) is bonded to four equivalent Sr(1), four equivalent Pd(4), and four equivalent P(2) atoms to form a mixture of distorted face and corner-sharing PdSr4P4Pd4 cuboctahedra. In the eighth Pd site, Pd(8) is bonded to four equivalent Sr(4) and four equivalent P(1) atoms to form a mixture of distorted edge and face-sharing PdSr4P4 cuboctahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Sr(4), one Pd(1), two equivalent Pd(6), and two equivalent Pd(8) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Pd(3), two equivalent Pd(4), and two equivalent Pd(7) atoms. In the third P site, P(3,4) is bonded in a 9-coordinate geometry to four equivalent Sr(3), two equivalent Pd(2), two equivalent Pd(5), and one P(5) atom. In the fourth P site, P(5) is bonded in a 9-coordinate geometry to two equivalent Sr(4); four equivalent Sr(3); two equivalent Pd(1); and one P(3,4) atom. In the fifth P site, P(6) is bonded in a 9-coordinate geometry to two equivalent Sr(1); four equivalent Sr(2); two equivalent Pd(3); and one P(3,4) atom. is represented by the CIF card [CIF]
data_Sr2(PPd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.198
_cell_length_b   4.249
_cell_length_c   17.429
_cell_angle_alpha   82.999
_cell_angle_beta   83.082
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.297
_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
  P  P0  1  0.040  0.040  0.920  1.0
  P  P1  1  0.960  0.960  0.080  1.0
  P  P2  1  0.289  0.789  0.423  1.0
  P  P3  1  0.711  0.211  0.577  1.0
  P  P4  1  0.646  0.146  0.708  1.0
  P  P5  1  0.354  0.854  0.292  1.0
  Pd  Pd6  1  0.110  0.110  0.780  1.0
  Pd  Pd7  1  0.890  0.890  0.220  1.0
  Pd  Pd8  1  0.249  0.249  0.501  1.0
  Pd  Pd9  1  0.751  0.751  0.499  1.0
  Pd  Pd10  1  0.500  0.000  0.000  1.0
  Pd  Pd11  1  0.000  0.500  1.000  1.0
  Sr  Sr12  1  0.573  0.573  0.855  1.0
  Sr  Sr13  1  0.823  0.323  0.355  1.0
  Sr  Sr14  1  0.177  0.677  0.645  1.0
  Sr  Sr15  1  0.427  0.427  0.145  1.0
[/CIF]
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