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Title: Materials Data on ZrBi2 by Materials Project

Abstract

Bi2Zr crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.11–3.22 Å. In the second Zr site, Zr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.06–3.18 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to three Zr and three Bi atoms. There are one shorter (3.13 Å) and two longer (3.24 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three Zr atoms. In the third Bi site, Bi is bonded in a 4-coordinate geometry to four Zr and two equivalent Bi atoms. In the fourth Bi site, Bi is bonded in a 6-coordinate geometry to six Zr atoms.

Publication Date:
Other Number(s):
mp-29642
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; ZrBi2; Bi-Zr
OSTI Identifier:
1204129
DOI:
https://doi.org/10.17188/1204129

Citation Formats

The Materials Project. Materials Data on ZrBi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204129.
The Materials Project. Materials Data on ZrBi2 by Materials Project. United States. doi:https://doi.org/10.17188/1204129
The Materials Project. 2020. "Materials Data on ZrBi2 by Materials Project". United States. doi:https://doi.org/10.17188/1204129. https://www.osti.gov/servlets/purl/1204129. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204129,
title = {Materials Data on ZrBi2 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2Zr crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.11–3.22 Å. In the second Zr site, Zr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.06–3.18 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to three Zr and three Bi atoms. There are one shorter (3.13 Å) and two longer (3.24 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three Zr atoms. In the third Bi site, Bi is bonded in a 4-coordinate geometry to four Zr and two equivalent Bi atoms. In the fourth Bi site, Bi is bonded in a 6-coordinate geometry to six Zr atoms.},
doi = {10.17188/1204129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}