DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiCa2Si3 by Materials Project

Abstract

LiCa2Si3 crystallizes in the orthorhombic Pnnm 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 2.69–2.79 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Ca–Si bond distances ranging from 2.95–3.12 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to nine Si atoms. There are a spread of Ca–Si bond distances ranging from 3.14–3.35 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six Ca, and two Si atoms. There are one shorter (2.42 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Si atoms. There are one shorter (2.34 Å) and one longer (2.36 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Si atoms.

Publication Date:
Other Number(s):
mp-20150
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; LiCa2Si3; Ca-Li-Si
OSTI Identifier:
1195293
DOI:
https://doi.org/10.17188/1195293

Citation Formats

The Materials Project. Materials Data on LiCa2Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195293.
The Materials Project. Materials Data on LiCa2Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1195293
The Materials Project. 2020. "Materials Data on LiCa2Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1195293. https://www.osti.gov/servlets/purl/1195293. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1195293,
title = {Materials Data on LiCa2Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCa2Si3 crystallizes in the orthorhombic Pnnm 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 2.69–2.79 Å. There are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Ca–Si bond distances ranging from 2.95–3.12 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to nine Si atoms. There are a spread of Ca–Si bond distances ranging from 3.14–3.35 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Li, six Ca, and two Si atoms. There are one shorter (2.42 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Si atoms. There are one shorter (2.34 Å) and one longer (2.36 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Li, five Ca, and two Si atoms.},
doi = {10.17188/1195293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}