Materials Data on Li2FeWO6 by Materials Project
Li2WFeO6 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Li2WFeO6 sheet oriented in the (-1, 1, 0) direction. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 2-coordinate geometry to three O atoms. There are two shorter (1.81 Å) and one longer (2.30 Å) Li–O bond lengths. In the second Li site, Li is bonded in a 2-coordinate geometry to three O atoms. There are a spread of Li–O bond distances ranging from 1.53–2.31 Å. W is bonded in a distorted bent 150 degrees geometry to two O atoms. There is one shorter (1.12 Å) and one longer (1.29 Å) W–O bond length. Fe is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.66–2.11 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two Li atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li, one W, and one Fe atom. In the third O site, O is bonded in a 1-coordinate geometry to one Li and one Fe atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Fe atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one W and one Fe atom. In the sixth O site, O is bonded in a distorted water-like geometry to two Li 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:
- 1304548
- Report Number(s):
- mp-776913
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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