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Title: Materials Data on CaSb2 by Materials Project

Abstract

CaSb2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten Sb1- atoms. There are a spread of Ca–Sb bond distances ranging from 3.27–3.78 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Sb1- atoms. There are two shorter (3.00 Å) and two longer (3.41 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 4-coordinate geometry to six equivalent Ca2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 3.01 Å.

Authors:
Publication Date:
Other Number(s):
mp-7493
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; CaSb2; Ca-Sb
OSTI Identifier:
1288494
DOI:
https://doi.org/10.17188/1288494

Citation Formats

The Materials Project. Materials Data on CaSb2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288494.
The Materials Project. Materials Data on CaSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1288494
The Materials Project. 2020. "Materials Data on CaSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1288494. https://www.osti.gov/servlets/purl/1288494. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1288494,
title = {Materials Data on CaSb2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaSb2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten Sb1- atoms. There are a spread of Ca–Sb bond distances ranging from 3.27–3.78 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Sb1- atoms. There are two shorter (3.00 Å) and two longer (3.41 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 4-coordinate geometry to six equivalent Ca2+ and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 3.01 Å.},
doi = {10.17188/1288494},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}