Materials Data on Li2(FeO2)3 by Materials Project
Li2(FeO2)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. There are two shorter (2.03 Å) and two longer (2.10 Å) Li–O bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are two shorter (2.03 Å) and four longer (2.08 Å) Fe–O bond lengths. In the second Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.97–2.12 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the second O site, O is bonded to two equivalent Li and three Fe atoms to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1726937
- Report Number(s):
- mp-1178060
- Country of Publication:
- United States
- Language:
- English
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