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Title: Materials Data on Pr2ZnBi4 by Materials Project

Abstract

Pr2ZnBi4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to two equivalent Zn and eight Bi atoms. Both Pr–Zn bond lengths are 3.34 Å. There are four shorter (3.36 Å) and four longer (3.50 Å) Pr–Bi bond lengths. Zn is bonded in a distorted body-centered cubic geometry to four equivalent Pr and four equivalent Bi atoms. All Zn–Bi bond lengths are 2.82 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.26 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. In the third Bi site, Bi is bonded in a 6-coordinate geometry to four equivalent Pr and two equivalent Zn atoms.

Publication Date:
Other Number(s):
mp-1219845
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; Pr2ZnBi4; Bi-Pr-Zn
OSTI Identifier:
1747224
DOI:
https://doi.org/10.17188/1747224

Citation Formats

The Materials Project. Materials Data on Pr2ZnBi4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747224.
The Materials Project. Materials Data on Pr2ZnBi4 by Materials Project. United States. doi:https://doi.org/10.17188/1747224
The Materials Project. 2020. "Materials Data on Pr2ZnBi4 by Materials Project". United States. doi:https://doi.org/10.17188/1747224. https://www.osti.gov/servlets/purl/1747224. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1747224,
title = {Materials Data on Pr2ZnBi4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2ZnBi4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to two equivalent Zn and eight Bi atoms. Both Pr–Zn bond lengths are 3.34 Å. There are four shorter (3.36 Å) and four longer (3.50 Å) Pr–Bi bond lengths. Zn is bonded in a distorted body-centered cubic geometry to four equivalent Pr and four equivalent Bi atoms. All Zn–Bi bond lengths are 2.82 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.26 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. In the third Bi site, Bi is bonded in a 6-coordinate geometry to four equivalent Pr and two equivalent Zn atoms.},
doi = {10.17188/1747224},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}