The material structure described by CeSiP3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one P(2), two equivalent P(1), two equivalent P(4), two equivalent P(5), and two equivalent P(6) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to one P(3), two equivalent P(1), two equivalent P(4), two equivalent P(5), and two equivalent P(6) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one P(1), one P(3), and two equivalent P(2) atoms to form corner-sharing SiP4 tetrahedra. In the second Si site, Si(2) is bonded to one P(2), one P(6), and two equivalent P(3) atoms to form corner-sharing SiP4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing PCe4Si trigonal bipyramids. In the second P site, P(2) is bonded in a distorted rectangular see-saw-like geometry to one Ce(1), one Si(2), and two equivalent Si(1) atoms. In the third P site, P(3) is bonded in a distorted rectangular see-saw-like geometry to one Ce(2), one Si(1), and two equivalent Si(2) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent P(5) atoms. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent P(4) atoms. In the sixth P site, P(6) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Si(2) atom to form a mixture of distorted corner and edge-sharing PCe4Si trigonal bipyramids. is represented by the CIF file [CIF]
data_CeSiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.858
_cell_length_c   24.574
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   816.471
_cell_formula_units_Z   8
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
  Ce  Ce0  1  0.753  0.525  0.095  1.0
  Ce  Ce1  1  0.753  0.025  0.405  1.0
  Ce  Ce2  1  0.253  0.975  0.595  1.0
  Ce  Ce3  1  0.254  0.022  0.087  1.0
  Ce  Ce4  1  0.754  0.478  0.587  1.0
  Ce  Ce5  1  0.253  0.475  0.905  1.0
  Ce  Ce6  1  0.254  0.522  0.413  1.0
  Ce  Ce7  1  0.754  0.978  0.913  1.0
  Si  Si8  1  0.340  0.557  0.705  1.0
  Si  Si9  1  0.840  0.943  0.205  1.0
  Si  Si10  1  0.835  0.384  0.792  1.0
  Si  Si11  1  0.835  0.884  0.708  1.0
  Si  Si12  1  0.340  0.057  0.795  1.0
  Si  Si13  1  0.335  0.616  0.208  1.0
  Si  Si14  1  0.335  0.116  0.292  1.0
  Si  Si15  1  0.840  0.443  0.295  1.0
  P  P16  1  0.749  0.530  0.379  1.0
  P  P17  1  0.726  0.583  0.215  1.0
  P  P18  1  0.249  0.970  0.879  1.0
  P  P19  1  0.230  0.981  0.210  1.0
  P  P20  1  0.730  0.519  0.710  1.0
  P  P21  1  0.556  0.808  0.499  1.0
  P  P22  1  0.249  0.470  0.621  1.0
  P  P23  1  0.749  0.030  0.121  1.0
  P  P24  1  0.969  0.312  0.003  1.0
  P  P25  1  0.469  0.188  0.503  1.0
  P  P26  1  0.749  0.986  0.625  1.0
  P  P27  1  0.230  0.481  0.290  1.0
  P  P28  1  0.056  0.692  0.999  1.0
  P  P29  1  0.726  0.083  0.285  1.0
  P  P30  1  0.249  0.514  0.125  1.0
  P  P31  1  0.749  0.486  0.875  1.0
  P  P32  1  0.226  0.417  0.785  1.0
  P  P33  1  0.226  0.917  0.715  1.0
  P  P34  1  0.056  0.192  0.501  1.0
  P  P35  1  0.249  0.014  0.375  1.0
  P  P36  1  0.556  0.308  0.001  1.0
  P  P37  1  0.969  0.812  0.497  1.0
  P  P38  1  0.730  0.019  0.790  1.0
  P  P39  1  0.469  0.688  0.997  1.0
[/CIF]
.
The material structure described by CeSiP3 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one P(2), two equivalent P(1), two equivalent P(4), two equivalent P(5), and two equivalent P(6) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to one P(3), two equivalent P(1), two equivalent P(4), two equivalent P(5), and two equivalent P(6) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one P(1), one P(3), and two equivalent P(2) atoms to form corner-sharing SiP4 tetrahedra. In the second Si site, Si(2) is bonded to one P(2), one P(6), and two equivalent P(3) atoms to form corner-sharing SiP4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing PCe4Si trigonal bipyramids. In the second P site, P(2) is bonded in a distorted rectangular see-saw-like geometry to one Ce(1), one Si(2), and two equivalent Si(1) atoms. In the third P site, P(3) is bonded in a distorted rectangular see-saw-like geometry to one Ce(2), one Si(1), and two equivalent Si(2) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent P(5) atoms. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and two equivalent P(4) atoms. In the sixth P site, P(6) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Si(2) atom to form a mixture of distorted corner and edge-sharing PCe4Si trigonal bipyramids. is represented by the CIF file [CIF]
data_CeSiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.858
_cell_length_c   24.574
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   816.471
_cell_formula_units_Z   8
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
  Ce  Ce0  1  0.753  0.525  0.095  1.0
  Ce  Ce1  1  0.753  0.025  0.405  1.0
  Ce  Ce2  1  0.253  0.975  0.595  1.0
  Ce  Ce3  1  0.254  0.022  0.087  1.0
  Ce  Ce4  1  0.754  0.478  0.587  1.0
  Ce  Ce5  1  0.253  0.475  0.905  1.0
  Ce  Ce6  1  0.254  0.522  0.413  1.0
  Ce  Ce7  1  0.754  0.978  0.913  1.0
  Si  Si8  1  0.340  0.557  0.705  1.0
  Si  Si9  1  0.840  0.943  0.205  1.0
  Si  Si10  1  0.835  0.384  0.792  1.0
  Si  Si11  1  0.835  0.884  0.708  1.0
  Si  Si12  1  0.340  0.057  0.795  1.0
  Si  Si13  1  0.335  0.616  0.208  1.0
  Si  Si14  1  0.335  0.116  0.292  1.0
  Si  Si15  1  0.840  0.443  0.295  1.0
  P  P16  1  0.749  0.530  0.379  1.0
  P  P17  1  0.726  0.583  0.215  1.0
  P  P18  1  0.249  0.970  0.879  1.0
  P  P19  1  0.230  0.981  0.210  1.0
  P  P20  1  0.730  0.519  0.710  1.0
  P  P21  1  0.556  0.808  0.499  1.0
  P  P22  1  0.249  0.470  0.621  1.0
  P  P23  1  0.749  0.030  0.121  1.0
  P  P24  1  0.969  0.312  0.003  1.0
  P  P25  1  0.469  0.188  0.503  1.0
  P  P26  1  0.749  0.986  0.625  1.0
  P  P27  1  0.230  0.481  0.290  1.0
  P  P28  1  0.056  0.692  0.999  1.0
  P  P29  1  0.726  0.083  0.285  1.0
  P  P30  1  0.249  0.514  0.125  1.0
  P  P31  1  0.749  0.486  0.875  1.0
  P  P32  1  0.226  0.417  0.785  1.0
  P  P33  1  0.226  0.917  0.715  1.0
  P  P34  1  0.056  0.192  0.501  1.0
  P  P35  1  0.249  0.014  0.375  1.0
  P  P36  1  0.556  0.308  0.001  1.0
  P  P37  1  0.969  0.812  0.497  1.0
  P  P38  1  0.730  0.019  0.790  1.0
  P  P39  1  0.469  0.688  0.997  1.0
[/CIF]
.