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.
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. The Ce(1)-P(2) bond length is 2.95 Å. There is one shorter (2.97 Å) and one longer (3.02 Å) Ce(1)-P(1) bond length. There is one shorter (2.87 Å) and one longer (3.08 Å) Ce(1)-P(4) bond length. There is one shorter (2.87 Å) and one longer (3.05 Å) Ce(1)-P(5) bond length. There is one shorter (2.91 Å) and one longer (2.95 Å) Ce(1)-P(6) bond length. 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. The Ce(2)-P(3) bond length is 3.04 Å. There is one shorter (2.93 Å) and one longer (2.99 Å) Ce(2)-P(1) bond length. There is one shorter (3.10 Å) and one longer (3.19 Å) Ce(2)-P(4) bond length. There is one shorter (3.12 Å) and one longer (3.18 Å) Ce(2)-P(5) bond length. There is one shorter (3.04 Å) and one longer (3.12 Å) Ce(2)-P(6) bond length. 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. The Si(1)-P(1) bond length is 2.19 Å. The Si(1)-P(3) bond length is 2.23 Å. There is one shorter (2.22 Å) and one longer (2.23 Å) Si(1)-P(2) bond length. 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. The Si(2)-P(2) bond length is 2.23 Å. The Si(2)-P(6) bond length is 2.18 Å. There is one shorter (2.22 Å) and one longer (2.25 Å) Si(2)-P(3) bond length. 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. There is one shorter (2.28 Å) and one longer (2.35 Å) P(4)-P(5) bond length. 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.