Materials Data on Li2Si4O7 by Materials Project
Li2Si4O7 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.99–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.76–1.85 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Li and two Si atoms. In the second O site, O is bonded in a water-like geometry to two equivalent Si atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Li and two Si atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Li and two Si 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:
- 1316739
- Report Number(s):
- mp-985637
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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