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Title: Materials Data on PrSe2 by Materials Project

Abstract

PrSe2 crystallizes in the monoclinic P2_1/c 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 3.02–3.27 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one Se2- atom. The Se–Se bond length is 2.54 Å. In the second Se2- site, Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-570205
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; PrSe2; Pr-Se
OSTI Identifier:
1275581
DOI:
https://doi.org/10.17188/1275581

Citation Formats

The Materials Project. Materials Data on PrSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275581.
The Materials Project. Materials Data on PrSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1275581
The Materials Project. 2020. "Materials Data on PrSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1275581. https://www.osti.gov/servlets/purl/1275581. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1275581,
title = {Materials Data on PrSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrSe2 crystallizes in the monoclinic P2_1/c 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 3.02–3.27 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one Se2- atom. The Se–Se bond length is 2.54 Å. In the second Se2- site, Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing SePr5 trigonal bipyramids.},
doi = {10.17188/1275581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}