The structure described by Ce2AuP3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Au(1), three equivalent P(1), and three equivalent P(3) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to two equivalent Au(1), one P(1), two equivalent P(3), and four equivalent P(2) atoms. Au(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Ce(2), three equivalent Ce(1), and two equivalent Au(1) atoms to form distorted PCe4Au2 octahedra that share corners with five equivalent P(3)Ce5P octahedra, edges with three equivalent P(3)Ce5P octahedra, and edges with four equivalent P(1)Ce4Au2 octahedra. The corner-sharing octahedral tilt angles range from 19-64°. In the second P site, P(2) is bonded in a 7-coordinate geometry to four equivalent Ce(2), two equivalent Au(1), and one P(3) atom. In the third P site, P(3) is bonded to two equivalent Ce(2), three equivalent Ce(1), and one P(2) atom to form distorted PCe5P octahedra that share corners with five equivalent P(1)Ce4Au2 octahedra, edges with three equivalent P(1)Ce4Au2 octahedra, and edges with four equivalent P(3)Ce5P octahedra. The corner-sharing octahedral tilt angles range from 19-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2P3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.198
_cell_length_b   7.739
_cell_length_c   16.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.930
_cell_formula_units_Z   4
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  0.250  0.237  0.475  1.0
  Ce  Ce1  1  0.750  0.899  0.795  1.0
  Ce  Ce2  1  0.750  0.263  0.975  1.0
  Ce  Ce3  1  0.750  0.399  0.705  1.0
  Ce  Ce4  1  0.250  0.601  0.295  1.0
  Ce  Ce5  1  0.250  0.101  0.205  1.0
  Ce  Ce6  1  0.750  0.763  0.525  1.0
  Ce  Ce7  1  0.250  0.737  0.025  1.0
  P  P8  1  0.250  0.384  0.088  1.0
  P  P9  1  0.250  0.702  0.701  1.0
  P  P10  1  0.750  0.116  0.588  1.0
  P  P11  1  0.750  0.298  0.299  1.0
  P  P12  1  0.750  0.798  0.201  1.0
  P  P13  1  0.250  0.884  0.412  1.0
  P  P14  1  0.250  0.531  0.594  1.0
  P  P15  1  0.750  0.616  0.912  1.0
  P  P16  1  0.750  0.969  0.094  1.0
  P  P17  1  0.250  0.202  0.799  1.0
  P  P18  1  0.750  0.469  0.406  1.0
  P  P19  1  0.250  0.031  0.906  1.0
  Au  Au20  1  0.250  0.009  0.650  1.0
  Au  Au21  1  0.750  0.991  0.350  1.0
  Au  Au22  1  0.250  0.509  0.850  1.0
  Au  Au23  1  0.750  0.491  0.150  1.0
[/CIF]
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The structure described by Ce2AuP3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to three equivalent Au(1), three equivalent P(1), and three equivalent P(3) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to two equivalent Au(1), one P(1), two equivalent P(3), and four equivalent P(2) atoms. Au(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Ce(2), three equivalent Ce(1), and two equivalent Au(1) atoms to form distorted PCe4Au2 octahedra that share corners with five equivalent P(3)Ce5P octahedra, edges with three equivalent P(3)Ce5P octahedra, and edges with four equivalent P(1)Ce4Au2 octahedra. The corner-sharing octahedral tilt angles range from 19-64°. In the second P site, P(2) is bonded in a 7-coordinate geometry to four equivalent Ce(2), two equivalent Au(1), and one P(3) atom. In the third P site, P(3) is bonded to two equivalent Ce(2), three equivalent Ce(1), and one P(2) atom to form distorted PCe5P octahedra that share corners with five equivalent P(1)Ce4Au2 octahedra, edges with three equivalent P(1)Ce4Au2 octahedra, and edges with four equivalent P(3)Ce5P octahedra. The corner-sharing octahedral tilt angles range from 19-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2P3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.198
_cell_length_b   7.739
_cell_length_c   16.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.930
_cell_formula_units_Z   4
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  0.250  0.237  0.475  1.0
  Ce  Ce1  1  0.750  0.899  0.795  1.0
  Ce  Ce2  1  0.750  0.263  0.975  1.0
  Ce  Ce3  1  0.750  0.399  0.705  1.0
  Ce  Ce4  1  0.250  0.601  0.295  1.0
  Ce  Ce5  1  0.250  0.101  0.205  1.0
  Ce  Ce6  1  0.750  0.763  0.525  1.0
  Ce  Ce7  1  0.250  0.737  0.025  1.0
  P  P8  1  0.250  0.384  0.088  1.0
  P  P9  1  0.250  0.702  0.701  1.0
  P  P10  1  0.750  0.116  0.588  1.0
  P  P11  1  0.750  0.298  0.299  1.0
  P  P12  1  0.750  0.798  0.201  1.0
  P  P13  1  0.250  0.884  0.412  1.0
  P  P14  1  0.250  0.531  0.594  1.0
  P  P15  1  0.750  0.616  0.912  1.0
  P  P16  1  0.750  0.969  0.094  1.0
  P  P17  1  0.250  0.202  0.799  1.0
  P  P18  1  0.750  0.469  0.406  1.0
  P  P19  1  0.250  0.031  0.906  1.0
  Au  Au20  1  0.250  0.009  0.650  1.0
  Au  Au21  1  0.750  0.991  0.350  1.0
  Au  Au22  1  0.250  0.509  0.850  1.0
  Au  Au23  1  0.750  0.491  0.150  1.0
[/CIF]
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