Materials Data on LiP(HO)2 by Materials Project
LiP(HO)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LiP(HO)2 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent PH2O2 tetrahedra and edges with two equivalent LiO4 tetrahedra. All Li–O bond lengths are 1.98 Å. P5+ is bonded to two equivalent H1- and two O2- atoms to form distorted PH2O2 tetrahedra that share corners with four equivalent LiO4 tetrahedra. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.52 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one P5+ 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:
- 1280139
- Report Number(s):
- mp-642650
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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