The crystal structure described by Ce3PBr3 crystallizes in the triclinic P1 space group. There are twelve inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one P(1), one P(4), one Br(12), one Br(7), one Br(8), and one Br(9) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Ce site, Ce(2) is bonded to one P(2), one P(3), one Br(10), one Br(11), one Br(7), and one Br(8) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Ce site, Ce(3) is bonded to one P(2), one P(3), one Br(12), one Br(4), one Br(5), and one Br(9) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Ce site, Ce(4) is bonded to one P(1), one P(3), one Br(1), one Br(11), one Br(12), and one Br(2) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Ce site, Ce(5) is bonded to one P(2), one P(4), one Br(11), one Br(12), one Br(3), and one Br(6) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the sixth Ce site, Ce(6) is bonded to one P(1), one P(4), one Br(10), one Br(11), one Br(4), and one Br(5) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the seventh Ce site, Ce(7) is bonded to one P(1), one P(3), one Br(10), one Br(3), one Br(6), and one Br(9) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the eighth Ce site, Ce(8) is bonded to one P(2), one P(4), one Br(1), one Br(10), one Br(2), and one Br(9) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the ninth Ce site, Ce(9) is bonded to one P(1), one P(2), one Br(2), one Br(4), one Br(6), and one Br(7) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the tenth Ce site, Ce(10) is bonded to one P(3), one P(4), one Br(1), one Br(3), one Br(4), and one Br(7) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the eleventh Ce site, Ce(11) is bonded to one P(1), one P(2), one Br(1), one Br(3), one Br(5), and one Br(8) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the twelfth Ce site, Ce(12) is bonded to one P(3), one P(4), one Br(2), one Br(5), one Br(6), and one Br(8) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Ce(1), one Ce(11), one Ce(4), one Ce(6), one Ce(7), and one Ce(9) atom to form edge-sharing PCe6 octahedra. In the second P site, P(2) is bonded to one Ce(11), one Ce(2), one Ce(3), one Ce(5), one Ce(8), and one Ce(9) atom to form edge-sharing PCe6 octahedra. In the third P site, P(3) is bonded to one Ce(10), one Ce(12), one Ce(2), one Ce(3), one Ce(4), and one Ce(7) atom to form edge-sharing PCe6 octahedra. In the fourth P site, P(4) is bonded to one Ce(1), one Ce(10), one Ce(12), one Ce(5), one Ce(6), and one Ce(8) atom to form edge-sharing PCe6 octahedra. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a rectangular see-saw-like geometry to one Ce(10), one Ce(11), one Ce(4), and one Ce(8) atom. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Ce(12), one Ce(4), one Ce(8), and one Ce(9) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Ce(10), one Ce(11), one Ce(5), and one Ce(7) atom. In the fourth Br site, Br(4) is bonded in a rectangular see-saw-like geometry to one Ce(10), one Ce(3), one Ce(6), and one Ce(9) atom. In the fifth Br site, Br(5) is bonded in a rectangular see-saw-like geometry to one Ce(11), one Ce(12), one Ce(3), and one Ce(6) atom. In the sixth Br site, Br(6) is bonded in a rectangular see-saw-like geometry to one Ce(12), one Ce(5), one Ce(7), and one Ce(9) atom. In the seventh Br site, Br(7) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(10), one Ce(2), and one Ce(9) atom. In the eighth Br site, Br(8) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(11), one Ce(12), and one Ce(2) atom. In the ninth Br site, Br(9) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), one Ce(7), and one Ce(8) atom. In the tenth Br site, Br(10) is bonded in a rectangular see-saw-like geometry to one Ce(2), one Ce(6), one Ce(7), and one Ce(8) atom. In the eleventh Br site, Br(11) is bonded in a rectangular see-saw-like geometry to one Ce(2), one Ce(4), one Ce(5), and one Ce(6) atom. In the twelfth Br site, Br(12) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), one Ce(4), and one Ce(5) atom. is represented by the CIF card [CIF]
data_Ce3PBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.325
_cell_length_b   10.333
_cell_length_c   10.354
_cell_angle_alpha   109.495
_cell_angle_beta   109.447
_cell_angle_gamma   109.400
_symmetry_Int_Tables_number   1
_cell_volume   851.075
_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  0.476  0.488  0.238  1.0
  Ce  Ce1  1  0.748  0.237  0.261  1.0
  Ce  Ce2  1  0.750  0.011  0.487  1.0
  Ce  Ce3  1  0.238  0.476  0.489  1.0
  Ce  Ce4  1  0.262  0.749  0.238  1.0
  Ce  Ce5  1  0.023  0.262  0.012  1.0
  Ce  Ce6  1  0.012  0.024  0.262  1.0
  Ce  Ce7  1  0.490  0.752  0.014  1.0
  Ce  Ce8  1  0.488  0.238  0.476  1.0
  Ce  Ce9  1  0.012  0.489  0.750  1.0
  Ce  Ce10  1  0.262  0.012  0.025  1.0
  Ce  Ce11  1  0.238  0.262  0.748  1.0
  P  P12  1  0.250  0.251  0.250  1.0
  P  P13  1  0.500  1.000  0.250  1.0
  P  P14  1  0.999  0.250  0.500  1.0
  P  P15  1  0.250  0.500  0.999  1.0
  Br  Br16  1  0.251  0.758  0.744  1.0
  Br  Br17  1  0.515  0.508  0.758  1.0
  Br  Br18  1  0.985  0.742  0.993  1.0
  Br  Br19  1  0.743  0.250  0.757  1.0
  Br  Br20  1  0.993  0.986  0.743  1.0
  Br  Br21  1  0.250  0.992  0.507  1.0
  Br  Br22  1  0.758  0.515  0.507  1.0
  Br  Br23  1  0.507  0.250  0.992  1.0
  Br  Br24  1  0.758  0.742  0.250  1.0
  Br  Br25  1  0.743  0.993  0.985  1.0
  Br  Br26  1  0.993  0.508  0.251  1.0
  Br  Br27  1  0.507  0.757  0.515  1.0
[/CIF]
.
The crystal structure described by Ce3PBr3 crystallizes in the triclinic P1 space group. There are twelve inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one P(1), one P(4), one Br(12), one Br(7), one Br(8), and one Br(9) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Ce site, Ce(2) is bonded to one P(2), one P(3), one Br(10), one Br(11), one Br(7), and one Br(8) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Ce site, Ce(3) is bonded to one P(2), one P(3), one Br(12), one Br(4), one Br(5), and one Br(9) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Ce site, Ce(4) is bonded to one P(1), one P(3), one Br(1), one Br(11), one Br(12), and one Br(2) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Ce site, Ce(5) is bonded to one P(2), one P(4), one Br(11), one Br(12), one Br(3), and one Br(6) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the sixth Ce site, Ce(6) is bonded to one P(1), one P(4), one Br(10), one Br(11), one Br(4), and one Br(5) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the seventh Ce site, Ce(7) is bonded to one P(1), one P(3), one Br(10), one Br(3), one Br(6), and one Br(9) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the eighth Ce site, Ce(8) is bonded to one P(2), one P(4), one Br(1), one Br(10), one Br(2), and one Br(9) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the ninth Ce site, Ce(9) is bonded to one P(1), one P(2), one Br(2), one Br(4), one Br(6), and one Br(7) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the tenth Ce site, Ce(10) is bonded to one P(3), one P(4), one Br(1), one Br(3), one Br(4), and one Br(7) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the eleventh Ce site, Ce(11) is bonded to one P(1), one P(2), one Br(1), one Br(3), one Br(5), and one Br(8) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the twelfth Ce site, Ce(12) is bonded to one P(3), one P(4), one Br(2), one Br(5), one Br(6), and one Br(8) atom to form a mixture of edge and corner-sharing CeP2Br4 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Ce(1), one Ce(11), one Ce(4), one Ce(6), one Ce(7), and one Ce(9) atom to form edge-sharing PCe6 octahedra. In the second P site, P(2) is bonded to one Ce(11), one Ce(2), one Ce(3), one Ce(5), one Ce(8), and one Ce(9) atom to form edge-sharing PCe6 octahedra. In the third P site, P(3) is bonded to one Ce(10), one Ce(12), one Ce(2), one Ce(3), one Ce(4), and one Ce(7) atom to form edge-sharing PCe6 octahedra. In the fourth P site, P(4) is bonded to one Ce(1), one Ce(10), one Ce(12), one Ce(5), one Ce(6), and one Ce(8) atom to form edge-sharing PCe6 octahedra. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a rectangular see-saw-like geometry to one Ce(10), one Ce(11), one Ce(4), and one Ce(8) atom. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Ce(12), one Ce(4), one Ce(8), and one Ce(9) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Ce(10), one Ce(11), one Ce(5), and one Ce(7) atom. In the fourth Br site, Br(4) is bonded in a rectangular see-saw-like geometry to one Ce(10), one Ce(3), one Ce(6), and one Ce(9) atom. In the fifth Br site, Br(5) is bonded in a rectangular see-saw-like geometry to one Ce(11), one Ce(12), one Ce(3), and one Ce(6) atom. In the sixth Br site, Br(6) is bonded in a rectangular see-saw-like geometry to one Ce(12), one Ce(5), one Ce(7), and one Ce(9) atom. In the seventh Br site, Br(7) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(10), one Ce(2), and one Ce(9) atom. In the eighth Br site, Br(8) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(11), one Ce(12), and one Ce(2) atom. In the ninth Br site, Br(9) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), one Ce(7), and one Ce(8) atom. In the tenth Br site, Br(10) is bonded in a rectangular see-saw-like geometry to one Ce(2), one Ce(6), one Ce(7), and one Ce(8) atom. In the eleventh Br site, Br(11) is bonded in a rectangular see-saw-like geometry to one Ce(2), one Ce(4), one Ce(5), and one Ce(6) atom. In the twelfth Br site, Br(12) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), one Ce(4), and one Ce(5) atom. is represented by the CIF card [CIF]
data_Ce3PBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.325
_cell_length_b   10.333
_cell_length_c   10.354
_cell_angle_alpha   109.495
_cell_angle_beta   109.447
_cell_angle_gamma   109.400
_symmetry_Int_Tables_number   1
_cell_volume   851.075
_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  0.476  0.488  0.238  1.0
  Ce  Ce1  1  0.748  0.237  0.261  1.0
  Ce  Ce2  1  0.750  0.011  0.487  1.0
  Ce  Ce3  1  0.238  0.476  0.489  1.0
  Ce  Ce4  1  0.262  0.749  0.238  1.0
  Ce  Ce5  1  0.023  0.262  0.012  1.0
  Ce  Ce6  1  0.012  0.024  0.262  1.0
  Ce  Ce7  1  0.490  0.752  0.014  1.0
  Ce  Ce8  1  0.488  0.238  0.476  1.0
  Ce  Ce9  1  0.012  0.489  0.750  1.0
  Ce  Ce10  1  0.262  0.012  0.025  1.0
  Ce  Ce11  1  0.238  0.262  0.748  1.0
  P  P12  1  0.250  0.251  0.250  1.0
  P  P13  1  0.500  1.000  0.250  1.0
  P  P14  1  0.999  0.250  0.500  1.0
  P  P15  1  0.250  0.500  0.999  1.0
  Br  Br16  1  0.251  0.758  0.744  1.0
  Br  Br17  1  0.515  0.508  0.758  1.0
  Br  Br18  1  0.985  0.742  0.993  1.0
  Br  Br19  1  0.743  0.250  0.757  1.0
  Br  Br20  1  0.993  0.986  0.743  1.0
  Br  Br21  1  0.250  0.992  0.507  1.0
  Br  Br22  1  0.758  0.515  0.507  1.0
  Br  Br23  1  0.507  0.250  0.992  1.0
  Br  Br24  1  0.758  0.742  0.250  1.0
  Br  Br25  1  0.743  0.993  0.985  1.0
  Br  Br26  1  0.993  0.508  0.251  1.0
  Br  Br27  1  0.507  0.757  0.515  1.0
[/CIF]
.