Materials Data on P3N5 by Materials Project
P3N5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to five N3- atoms to form PN5 square pyramids that share corners with four equivalent PN5 square pyramids, corners with two equivalent PN4 tetrahedra, and edges with two equivalent PN5 square pyramids. There is one shorter (1.72 Å) and four longer (1.75 Å) P–N bond length. In the second P5+ site, P5+ is bonded to four N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN5 square pyramids and corners with two equivalent PN4 tetrahedra. There is two shorter (1.58 Å) and two longer (1.68 Å) P–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three P5+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1194746
- Report Number(s):
- mp-1954
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on TiPN3 by Materials Project
Materials Data on NaPH3C2N3O4 by Materials Project