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Title: Materials Data on PrBiO4 by Materials Project

Abstract

PrBiO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.56 Å. Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.07–2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing OPr2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr3+ and one Bi5+ atom.

Publication Date:
Other Number(s):
mp-770111
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; PrBiO4; Bi-O-Pr
OSTI Identifier:
1299503
DOI:
10.17188/1299503

Citation Formats

The Materials Project. Materials Data on PrBiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299503.
The Materials Project. Materials Data on PrBiO4 by Materials Project. United States. doi:10.17188/1299503.
The Materials Project. 2020. "Materials Data on PrBiO4 by Materials Project". United States. doi:10.17188/1299503. https://www.osti.gov/servlets/purl/1299503. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1299503,
title = {Materials Data on PrBiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {PrBiO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Pr3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.56 Å. Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.07–2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing OPr2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr3+ and one Bi5+ atom.},
doi = {10.17188/1299503},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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