Ni3P crystallizes in the tetragonal I-4 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. In the second Ni site, Ni(3) is bonded in a distorted water-like geometry to two equivalent P(1) atoms. In the third Ni site, Ni(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to two equivalent Ni(3), three equivalent Ni(2), and four equivalent Ni(1) atoms.
Ni3P crystallizes in the tetragonal I-4 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. There are a spread of Ni(1)-P(1) bond distances ranging from 2.26-2.33 Å. In the second Ni site, Ni(3) is bonded in a distorted water-like geometry to two equivalent P(1) atoms. There is one shorter (2.19 Å) and one longer (2.24 Å) Ni(3)-P(1) bond length. In the third Ni site, Ni(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. There are a spread of Ni(2)-P(1) bond distances ranging from 2.19-2.30 Å. P(1) is bonded in a 9-coordinate geometry to two equivalent Ni(3), three equivalent Ni(2), and four equivalent Ni(1) atoms.