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Title: Materials Data on PrAs2 by Materials Project

Abstract

PrAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Pr–As bond distances ranging from 3.04–3.25 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Pr3+ and one As+1.50- atom to form a mixture of distorted edge and corner-sharing AsPr5As pentagonal pyramids. The As–As bond length is 2.52 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two As+1.50- atoms. The As–As bond length is 2.55 Å.

Publication Date:
Other Number(s):
mp-1102408
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; PrAs2; As-Pr
OSTI Identifier:
1707128
DOI:
https://doi.org/10.17188/1707128

Citation Formats

The Materials Project. Materials Data on PrAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707128.
The Materials Project. Materials Data on PrAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1707128
The Materials Project. 2020. "Materials Data on PrAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1707128. https://www.osti.gov/servlets/purl/1707128. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1707128,
title = {Materials Data on PrAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Pr–As bond distances ranging from 3.04–3.25 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Pr3+ and one As+1.50- atom to form a mixture of distorted edge and corner-sharing AsPr5As pentagonal pyramids. The As–As bond length is 2.52 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two As+1.50- atoms. The As–As bond length is 2.55 Å.},
doi = {10.17188/1707128},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}