DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PrSe2 by Materials Project

Abstract

PrSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.07–3.17 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Se2- atoms. All Se–Se bond lengths are 2.96 Å.

Authors:
Publication Date:
Other Number(s):
mp-1018940
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PrSe2; Pr-Se
OSTI Identifier:
1350426
DOI:
https://doi.org/10.17188/1350426

Citation Formats

The Materials Project. Materials Data on PrSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350426.
The Materials Project. Materials Data on PrSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1350426
The Materials Project. 2020. "Materials Data on PrSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1350426. https://www.osti.gov/servlets/purl/1350426. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1350426,
title = {Materials Data on PrSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.07–3.17 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Se2- atoms. All Se–Se bond lengths are 2.96 Å.},
doi = {10.17188/1350426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}