The structure described by Ce3PI3 is Corundum-derived structured and crystallizes in the monoclinic C2 space group. There are seven inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one P(1), one P(3), one I(3), one I(4), one I(6), and one I(7) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Ce site, Ce(2) is bonded to two equivalent P(2), two equivalent I(6), and two equivalent I(7) atoms to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Ce site, Ce(3) is bonded to two equivalent P(2), two equivalent I(3), and two equivalent I(4) atoms to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Ce site, Ce(4) is bonded to one P(1), one P(2), one I(1), one I(2), one I(4), and one I(7) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fifth Ce site, Ce(5) is bonded to one P(2), one P(3), one I(2), one I(4), one I(5), and one I(7) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth Ce site, Ce(6) is bonded to one P(1), one P(2), one I(2), one I(3), one I(5), and one I(6) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the seventh Ce site, Ce(7) is bonded to one P(2), one P(3), one I(1), one I(2), one I(3), and one I(6) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are three inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ce(1), two equivalent Ce(4), and two equivalent Ce(6) atoms to form edge-sharing PCe6 octahedra. In the second P site, P(2) is bonded to one Ce(2), one Ce(3), one Ce(4), one Ce(5), one Ce(6), and one Ce(7) atom to form edge-sharing PCe6 octahedra. In the third P site, P(3) is bonded to two equivalent Ce(1), two equivalent Ce(5), and two equivalent Ce(7) atoms to form edge-sharing PCe6 octahedra. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ce(4) and two equivalent Ce(7) atoms. In the second I site, I(2) is bonded in a rectangular see-saw-like geometry to one Ce(4), one Ce(5), one Ce(6), and one Ce(7) atom. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), one Ce(6), and one Ce(7) atom. In the fourth I site, I(4) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), one Ce(4), and one Ce(5) atom. In the fifth I site, I(5) is bonded in a rectangular see-saw-like geometry to two equivalent Ce(5) and two equivalent Ce(6) atoms. In the sixth I site, I(6) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(2), one Ce(6), and one Ce(7) atom. In the seventh I site, I(7) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(2), one Ce(4), and one Ce(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3PI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.775
_cell_length_b   10.755
_cell_length_c   10.756
_cell_angle_alpha   109.388
_cell_angle_beta   109.444
_cell_angle_gamma   109.438
_symmetry_Int_Tables_number   1
_cell_volume   961.277
_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  0.463  0.481  0.231  1.0
  Ce  Ce1  1  0.750  0.231  0.269  1.0
  Ce  Ce2  1  0.750  0.018  0.482  1.0
  Ce  Ce3  1  0.232  0.463  0.481  1.0
  Ce  Ce4  1  0.268  0.749  0.231  1.0
  Ce  Ce5  1  0.037  0.269  0.019  1.0
  Ce  Ce6  1  0.019  0.037  0.269  1.0
  Ce  Ce7  1  0.481  0.749  0.018  1.0
  Ce  Ce8  1  0.481  0.232  0.463  1.0
  Ce  Ce9  1  0.019  0.482  0.751  1.0
  Ce  Ce10  1  0.269  0.018  0.037  1.0
  Ce  Ce11  1  0.232  0.269  0.750  1.0
  P  P12  1  0.250  0.250  0.250  1.0
  P  P13  1  0.500  1.000  0.250  1.0
  P  P14  1  0.000  0.250  0.501  1.0
  P  P15  1  0.250  0.500  0.000  1.0
  I  I16  1  0.250  0.759  0.741  1.0
  I  I17  1  0.518  0.509  0.759  1.0
  I  I18  1  0.982  0.741  0.991  1.0
  I  I19  1  0.741  0.250  0.759  1.0
  I  I20  1  0.991  0.981  0.740  1.0
  I  I21  1  0.250  0.991  0.510  1.0
  I  I22  1  0.759  0.518  0.509  1.0
  I  I23  1  0.509  0.250  0.991  1.0
  I  I24  1  0.759  0.741  0.250  1.0
  I  I25  1  0.741  0.991  0.982  1.0
  I  I26  1  0.990  0.509  0.250  1.0
  I  I27  1  0.510  0.760  0.519  1.0
[/CIF]
.
The structure described by Ce3PI3 is Corundum-derived structured and crystallizes in the monoclinic C2 space group. There are seven inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one P(1), one P(3), one I(3), one I(4), one I(6), and one I(7) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Ce site, Ce(2) is bonded to two equivalent P(2), two equivalent I(6), and two equivalent I(7) atoms to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Ce site, Ce(3) is bonded to two equivalent P(2), two equivalent I(3), and two equivalent I(4) atoms to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Ce site, Ce(4) is bonded to one P(1), one P(2), one I(1), one I(2), one I(4), and one I(7) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fifth Ce site, Ce(5) is bonded to one P(2), one P(3), one I(2), one I(4), one I(5), and one I(7) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth Ce site, Ce(6) is bonded to one P(1), one P(2), one I(2), one I(3), one I(5), and one I(6) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the seventh Ce site, Ce(7) is bonded to one P(2), one P(3), one I(1), one I(2), one I(3), and one I(6) atom to form a mixture of corner and edge-sharing CeP2I4 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are three inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ce(1), two equivalent Ce(4), and two equivalent Ce(6) atoms to form edge-sharing PCe6 octahedra. In the second P site, P(2) is bonded to one Ce(2), one Ce(3), one Ce(4), one Ce(5), one Ce(6), and one Ce(7) atom to form edge-sharing PCe6 octahedra. In the third P site, P(3) is bonded to two equivalent Ce(1), two equivalent Ce(5), and two equivalent Ce(7) atoms to form edge-sharing PCe6 octahedra. There are seven inequivalent I sites. In the first I site, I(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ce(4) and two equivalent Ce(7) atoms. In the second I site, I(2) is bonded in a rectangular see-saw-like geometry to one Ce(4), one Ce(5), one Ce(6), and one Ce(7) atom. In the third I site, I(3) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), one Ce(6), and one Ce(7) atom. In the fourth I site, I(4) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(3), one Ce(4), and one Ce(5) atom. In the fifth I site, I(5) is bonded in a rectangular see-saw-like geometry to two equivalent Ce(5) and two equivalent Ce(6) atoms. In the sixth I site, I(6) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(2), one Ce(6), and one Ce(7) atom. In the seventh I site, I(7) is bonded in a rectangular see-saw-like geometry to one Ce(1), one Ce(2), one Ce(4), and one Ce(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3PI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.775
_cell_length_b   10.755
_cell_length_c   10.756
_cell_angle_alpha   109.388
_cell_angle_beta   109.444
_cell_angle_gamma   109.438
_symmetry_Int_Tables_number   1
_cell_volume   961.277
_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  0.463  0.481  0.231  1.0
  Ce  Ce1  1  0.750  0.231  0.269  1.0
  Ce  Ce2  1  0.750  0.018  0.482  1.0
  Ce  Ce3  1  0.232  0.463  0.481  1.0
  Ce  Ce4  1  0.268  0.749  0.231  1.0
  Ce  Ce5  1  0.037  0.269  0.019  1.0
  Ce  Ce6  1  0.019  0.037  0.269  1.0
  Ce  Ce7  1  0.481  0.749  0.018  1.0
  Ce  Ce8  1  0.481  0.232  0.463  1.0
  Ce  Ce9  1  0.019  0.482  0.751  1.0
  Ce  Ce10  1  0.269  0.018  0.037  1.0
  Ce  Ce11  1  0.232  0.269  0.750  1.0
  P  P12  1  0.250  0.250  0.250  1.0
  P  P13  1  0.500  1.000  0.250  1.0
  P  P14  1  0.000  0.250  0.501  1.0
  P  P15  1  0.250  0.500  0.000  1.0
  I  I16  1  0.250  0.759  0.741  1.0
  I  I17  1  0.518  0.509  0.759  1.0
  I  I18  1  0.982  0.741  0.991  1.0
  I  I19  1  0.741  0.250  0.759  1.0
  I  I20  1  0.991  0.981  0.740  1.0
  I  I21  1  0.250  0.991  0.510  1.0
  I  I22  1  0.759  0.518  0.509  1.0
  I  I23  1  0.509  0.250  0.991  1.0
  I  I24  1  0.759  0.741  0.250  1.0
  I  I25  1  0.741  0.991  0.982  1.0
  I  I26  1  0.990  0.509  0.250  1.0
  I  I27  1  0.510  0.760  0.519  1.0
[/CIF]
.