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Title: Materials Data on PrSi2Ru by Materials Project

Abstract

PrRuSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.03–3.31 Å. Ru5+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.38–2.45 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Pr3+, four equivalent Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.57 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six equivalent Pr3+, one Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.53 Å.

Publication Date:
Other Number(s):
mp-31083
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; PrSi2Ru; Pr-Ru-Si
OSTI Identifier:
1205410
DOI:
10.17188/1205410

Citation Formats

The Materials Project. Materials Data on PrSi2Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205410.
The Materials Project. Materials Data on PrSi2Ru by Materials Project. United States. doi:10.17188/1205410.
The Materials Project. 2020. "Materials Data on PrSi2Ru by Materials Project". United States. doi:10.17188/1205410. https://www.osti.gov/servlets/purl/1205410. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205410,
title = {Materials Data on PrSi2Ru by Materials Project},
author = {The Materials Project},
abstractNote = {PrRuSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.03–3.31 Å. Ru5+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.38–2.45 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Pr3+, four equivalent Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.57 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six equivalent Pr3+, one Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.53 Å.},
doi = {10.17188/1205410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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