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Title: Materials Data on Li3Ti2(FeO4)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1292854· OSTI ID:1292854

LiTiO2(LiFeO2)2TiO2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one titanium dihydroxide molecule; two LiFeO2 ribbons oriented in the (1, 1, 1) direction; and one LiTiO2 ribbon oriented in the (1, 1, 1) direction. In each LiFeO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.43 Å. Fe+2.50+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.68 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one Fe+2.50+ atom. In the LiTiO2 ribbon, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.70 Å. Ti4+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ti–O bond lengths are 1.36 Å. O2- is bonded in a distorted linear geometry to one Li1+ and one Ti4+ 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:
1292854
Report Number(s):
mp-762702
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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