Materials Data on PNO by Materials Project
PON1 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two PON1 clusters. there are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a single-bond geometry to one O2- atom. The P–O bond length is 1.74 Å. In the second P5+ site, P5+ is bonded in a single-bond geometry to one N3- atom. The P–N bond length is 2.47 Å. In the third P5+ site, P5+ is bonded in a bent 150 degrees geometry to two N3- atoms. There is one shorter (1.65 Å) and one longer (1.72 Å) P–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one P5+ and one O2- atom. The N–O bond length is 1.36 Å. In the second N3- site, N3- is bonded in a 1-coordinate geometry to one P5+ and two O2- atoms. There is one shorter (1.17 Å) and one longer (1.94 Å) N–O bond length. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one P5+ and one O2- atom. The N–O bond length is 1.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two N3- atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one N3- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N3- atom.
- 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:
- 1282819
- Report Number(s):
- mp-675742
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on PNO by Materials Project
Materials Data on PNO by Materials Project