Materials Data on P2O2F3 by Materials Project
P2O2F3 crystallizes in the trigonal P3c1 space group. The structure is zero-dimensional and consists of six tris(difluorophosphanyl) phosphate molecules. there are two inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.48 Å) and three longer (1.58 Å) P–O bond length. In the second P+3.50+ site, P+3.50+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The P–O bond length is 1.67 Å. There is one shorter (1.60 Å) and one longer (1.61 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+3.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ 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:
- 1273137
- Report Number(s):
- mp-565711
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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