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Title: Materials Data on PmSe2 by Materials Project

Abstract

PmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.13 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Pm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.93 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Pm3+ atoms to form a mixture of distorted edge and corner-sharing SePm5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1232216
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; PmSe2; Pm-Se
OSTI Identifier:
1651987
DOI:
https://doi.org/10.17188/1651987

Citation Formats

The Materials Project. Materials Data on PmSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651987.
The Materials Project. Materials Data on PmSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1651987
The Materials Project. 2020. "Materials Data on PmSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1651987. https://www.osti.gov/servlets/purl/1651987. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651987,
title = {Materials Data on PmSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {PmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.13 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Pm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.93 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Pm3+ atoms to form a mixture of distorted edge and corner-sharing SePm5 trigonal bipyramids.},
doi = {10.17188/1651987},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}