Cr3PC crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to two equivalent C(1) and three equivalent P(1) atoms. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent P(1) atoms. C(1) is bonded to two equivalent Cr(2) and four equivalent Cr(1) atoms to form a mixture of corner and edge-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 36°. P(1) is bonded in a 8-coordinate geometry to two equivalent Cr(2) and six equivalent Cr(1) atoms.
Cr3PC crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to two equivalent C(1) and three equivalent P(1) atoms. Both Cr(1)-C(1) bond lengths are 2.00 Å. There are two shorter (2.40 Å) and one longer (2.48 Å) Cr(1)-P(1) bond length. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent P(1) atoms. Both Cr(2)-C(1) bond lengths are 1.91 Å. Both Cr(2)-P(1) bond lengths are 2.33 Å. C(1) is bonded to two equivalent Cr(2) and four equivalent Cr(1) atoms to form a mixture of corner and edge-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 36°. P(1) is bonded in a 8-coordinate geometry to two equivalent Cr(2) and six equivalent Cr(1) atoms.