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Title: Materials Data on Pm2Se3 by Materials Project

Abstract

Pm2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pm3+ sites. In the first Pm3+ site, Pm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.52 Å. In the second Pm3+ site, Pm3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PmSe7 pentagonal bipyramids. There are a spread of Pm–Se bond distances ranging from 2.96–3.03 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 square pyramids. In the second Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pm3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1232181
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; Pm2Se3; Pm-Se
OSTI Identifier:
1733039
DOI:
https://doi.org/10.17188/1733039

Citation Formats

The Materials Project. Materials Data on Pm2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733039.
The Materials Project. Materials Data on Pm2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1733039
The Materials Project. 2020. "Materials Data on Pm2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1733039. https://www.osti.gov/servlets/purl/1733039. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1733039,
title = {Materials Data on Pm2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pm2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pm3+ sites. In the first Pm3+ site, Pm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.52 Å. In the second Pm3+ site, Pm3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PmSe7 pentagonal bipyramids. There are a spread of Pm–Se bond distances ranging from 2.96–3.03 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 square pyramids. In the second Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pm3+ atoms.},
doi = {10.17188/1733039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}