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Title: Materials Data on Pr2ReC2 by Materials Project

Abstract

Pr2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted square co-planar geometry to four C atoms. There are a spread of Pr–C bond distances ranging from 2.67–2.97 Å. In the second Pr site, Pr is bonded to five C atoms to form a mixture of distorted corner and edge-sharing PrC5 square pyramids. There are a spread of Pr–C bond distances ranging from 2.61–2.73 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.92–2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Pr and one Re atom to form a mixture of distorted corner and edge-sharing CPr5Re octahedra. The corner-sharing octahedra tilt angles range from 7–44°. In the second C site, C is bonded to four Pr and two equivalent Re atoms to form a mixture of corner and edge-sharing CPr4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–44°.

Publication Date:
Other Number(s):
mp-22561
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; Pr2ReC2; C-Pr-Re
OSTI Identifier:
1198788
DOI:
10.17188/1198788

Citation Formats

The Materials Project. Materials Data on Pr2ReC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198788.
The Materials Project. Materials Data on Pr2ReC2 by Materials Project. United States. doi:10.17188/1198788.
The Materials Project. 2020. "Materials Data on Pr2ReC2 by Materials Project". United States. doi:10.17188/1198788. https://www.osti.gov/servlets/purl/1198788. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1198788,
title = {Materials Data on Pr2ReC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted square co-planar geometry to four C atoms. There are a spread of Pr–C bond distances ranging from 2.67–2.97 Å. In the second Pr site, Pr is bonded to five C atoms to form a mixture of distorted corner and edge-sharing PrC5 square pyramids. There are a spread of Pr–C bond distances ranging from 2.61–2.73 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.92–2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Pr and one Re atom to form a mixture of distorted corner and edge-sharing CPr5Re octahedra. The corner-sharing octahedra tilt angles range from 7–44°. In the second C site, C is bonded to four Pr and two equivalent Re atoms to form a mixture of corner and edge-sharing CPr4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–44°.},
doi = {10.17188/1198788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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