Materials Data on LiSiBiO4 by Materials Project
LiSiBiO4 is Chalcostibite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 trigonal pyramids that share corners with three equivalent BiO5 square pyramids, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Li–O bond distances ranging from 1.99–2.10 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent BiO5 square pyramids, corners with two equivalent SiO4 tetrahedra, and corners with four equivalent LiO4 trigonal pyramids. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. Bi3+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with two equivalent BiO5 square pyramids, corners with two equivalent SiO4 tetrahedra, corners with three equivalent LiO4 trigonal pyramids, edges with two equivalent BiO5 square pyramids, and an edgeedge with one LiO4 trigonal pyramid. There are a spread of Bi–O bond distances ranging from 2.12–2.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Si4+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Si4+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and three equivalent Bi3+ 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:
- 1290636
- Report Number(s):
- mp-756818
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on LiSiBiO4 by Materials Project
Materials Data on LiSiBiO4 by Materials Project