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Title: Materials Data on LiCaSi2 by Materials Project

Abstract

LiCaSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Li–Si bond distances ranging from 2.64–2.72 Å. Ca is bonded in a 6-coordinate geometry to nine Si atoms. There are a spread of Ca–Si bond distances ranging from 3.08–3.32 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Ca, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Ca, and two equivalent Si atoms.

Publication Date:
Other Number(s):
mp-13916
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; LiCaSi2; Ca-Li-Si
OSTI Identifier:
1189809
DOI:
10.17188/1189809

Citation Formats

The Materials Project. Materials Data on LiCaSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189809.
The Materials Project. Materials Data on LiCaSi2 by Materials Project. United States. doi:10.17188/1189809.
The Materials Project. 2020. "Materials Data on LiCaSi2 by Materials Project". United States. doi:10.17188/1189809. https://www.osti.gov/servlets/purl/1189809. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189809,
title = {Materials Data on LiCaSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCaSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Li–Si bond distances ranging from 2.64–2.72 Å. Ca is bonded in a 6-coordinate geometry to nine Si atoms. There are a spread of Ca–Si bond distances ranging from 3.08–3.32 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Ca, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Ca, and two equivalent Si atoms.},
doi = {10.17188/1189809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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