Materials Data on Li2Fe2(CO3)3 by Materials Project
Abstract
Li2Fe2(CO3)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li1+ is bonded in a 2-coordinate geometry to nine O2- atoms. There are a spread of Li–O bond distances ranging from 2.02–2.64 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Fe–O bond distances ranging from 2.12–2.73 Å. In the second Fe2+ site, Fe2+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There are four shorter (2.14 Å) and two longer (2.16 Å) Fe–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Fe2+, and one C4+ atom. In the secondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-761992
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Li2Fe2(CO3)3; C-Fe-Li-O
- OSTI Identifier:
- 1292387
- DOI:
- https://doi.org/10.17188/1292387
Citation Formats
The Materials Project. Materials Data on Li2Fe2(CO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1292387.
The Materials Project. Materials Data on Li2Fe2(CO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1292387
The Materials Project. 2020.
"Materials Data on Li2Fe2(CO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1292387. https://www.osti.gov/servlets/purl/1292387. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1292387,
title = {Materials Data on Li2Fe2(CO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Fe2(CO3)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li1+ is bonded in a 2-coordinate geometry to nine O2- atoms. There are a spread of Li–O bond distances ranging from 2.02–2.64 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Fe–O bond distances ranging from 2.12–2.73 Å. In the second Fe2+ site, Fe2+ is bonded in a distorted pentagonal pyramidal geometry to six O2- atoms. There are four shorter (2.14 Å) and two longer (2.16 Å) Fe–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Fe2+, and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two Fe2+, and one C4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Fe2+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, two equivalent Fe2+, and one C4+ atom.},
doi = {10.17188/1292387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}