Materials Data on V3NiP2 by Materials Project
V3NiP2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are nine inequivalent V sites. In the first V site, V is bonded to four P atoms to form a mixture of distorted edge and corner-sharing VP4 tetrahedra. There are a spread of V–P bond distances ranging from 2.33–2.37 Å. In the second V site, V is bonded to four P atoms to form a mixture of distorted edge and corner-sharing VP4 tetrahedra. There are a spread of V–P bond distances ranging from 2.33–2.39 Å. In the third V site, V is bonded in a 4-coordinate geometry to four P atoms. There are a spread of V–P bond distances ranging from 2.35–2.42 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to two equivalent Ni and five P atoms. Both V–Ni bond lengths are 2.69 Å. There are a spread of V–P bond distances ranging from 2.52–2.55 Å. In the fifth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.49 Å) and one longer (2.51 Å) V–P bond lengths. In the sixth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.46–2.50 Å. In the seventh V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.50–2.60 Å. In the eighth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.38 Å) and four longer (2.50 Å) V–P bond lengths. In the ninth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.47–2.53 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent V and four P atoms. There are a spread of Ni–P bond distances ranging from 2.22–2.31 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.24–2.27 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.26–2.29 Å. There are six inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to seven V and two Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to eight V and one Ni atom. In the third P site, P is bonded in a 9-coordinate geometry to seven V and two Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to eight V and one Ni atom. In the fifth P site, P is bonded in a 9-coordinate geometry to seven V and two equivalent Ni atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to five V and four Ni atoms.