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Title: Materials Data on Zr3Bi by Materials Project

Abstract

Zr3Bi crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 2.97–3.15 Å. In the second Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Bi atoms. There are one shorter (3.00 Å) and one longer (3.16 Å) Zr–Bi bond lengths. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.01–3.04 Å. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.

Publication Date:
Other Number(s):
mp-1207416
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; Zr3Bi; Bi-Zr
OSTI Identifier:
1662966
DOI:
https://doi.org/10.17188/1662966

Citation Formats

The Materials Project. Materials Data on Zr3Bi by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662966.
The Materials Project. Materials Data on Zr3Bi by Materials Project. United States. doi:https://doi.org/10.17188/1662966
The Materials Project. 2019. "Materials Data on Zr3Bi by Materials Project". United States. doi:https://doi.org/10.17188/1662966. https://www.osti.gov/servlets/purl/1662966. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1662966,
title = {Materials Data on Zr3Bi by Materials Project},
author = {The Materials Project},
abstractNote = {Zr3Bi crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 2.97–3.15 Å. In the second Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Bi atoms. There are one shorter (3.00 Å) and one longer (3.16 Å) Zr–Bi bond lengths. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.01–3.04 Å. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1662966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}