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Title: Materials Data on LiLa(CO3)2 by Materials Project

Abstract

LiLa(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a trigonal pyramidal geometry to four O2- atoms. There is two shorter (1.91 Å) and two longer (1.98 Å) Li–O bond length. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.52–2.79 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one La3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+, two equivalent La3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one C4+ atom.

Publication Date:
Other Number(s):
mp-1188898
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiLa(CO3)2; C-La-Li-O
OSTI Identifier:
1727023
DOI:
https://doi.org/10.17188/1727023

Citation Formats

The Materials Project. Materials Data on LiLa(CO3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1727023.
The Materials Project. Materials Data on LiLa(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1727023
The Materials Project. 2019. "Materials Data on LiLa(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1727023. https://www.osti.gov/servlets/purl/1727023. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1727023,
title = {Materials Data on LiLa(CO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLa(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a trigonal pyramidal geometry to four O2- atoms. There is two shorter (1.91 Å) and two longer (1.98 Å) Li–O bond length. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.52–2.79 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one La3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+, two equivalent La3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one C4+ atom.},
doi = {10.17188/1727023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}