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Title: Materials Data on PrBi2ClO4 by Materials Project

Abstract

PrBi2O4Cl is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.49 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.27 Å. All Bi–Cl bond lengths are 3.44 Å. O2- is bonded to two equivalent Pr3+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OPr2Bi2 tetrahedra. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-553082
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; PrBi2ClO4; Bi-Cl-O-Pr
OSTI Identifier:
1267602
DOI:
10.17188/1267602

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PrBi2ClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267602.
Persson, Kristin, & Project, Materials. Materials Data on PrBi2ClO4 by Materials Project. United States. doi:10.17188/1267602.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PrBi2ClO4 by Materials Project". United States. doi:10.17188/1267602. https://www.osti.gov/servlets/purl/1267602. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267602,
title = {Materials Data on PrBi2ClO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PrBi2O4Cl is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.49 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.27 Å. All Bi–Cl bond lengths are 3.44 Å. O2- is bonded to two equivalent Pr3+ and two equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OPr2Bi2 tetrahedra. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.},
doi = {10.17188/1267602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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