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Title: Materials Data on CaBi2 by Materials Project

Abstract

Bi2Ca1 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Ca–Bi bond distances ranging from 3.38–3.71 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Ca and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.22 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ca and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.34 Å.

Authors:
Publication Date:
Other Number(s):
mp-1077466
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; CaBi2; Bi-Ca
OSTI Identifier:
1746627
DOI:
https://doi.org/10.17188/1746627

Citation Formats

The Materials Project. Materials Data on CaBi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746627.
The Materials Project. Materials Data on CaBi2 by Materials Project. United States. doi:https://doi.org/10.17188/1746627
The Materials Project. 2020. "Materials Data on CaBi2 by Materials Project". United States. doi:https://doi.org/10.17188/1746627. https://www.osti.gov/servlets/purl/1746627. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1746627,
title = {Materials Data on CaBi2 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2Ca1 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Ca–Bi bond distances ranging from 3.38–3.71 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Ca and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.22 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ca and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.34 Å.},
doi = {10.17188/1746627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}