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Title: Materials Data on Dy2ReC2 by Materials Project

Abstract

Dy2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to five C atoms to form a mixture of corner and edge-sharing DyC5 square pyramids. There are one shorter (2.50 Å) and four longer (2.57 Å) Dy–C bond lengths. In the second Dy site, Dy is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Dy–C bond distances ranging from 2.53–2.67 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 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Dy and two equivalent Re atoms to form a mixture of corner and edge-sharing CDy4Re2 octahedra. The corner-sharing octahedra tilt angles range from 11–39°. In the second C site, C is bonded to five Dy and one Re atom to form a mixture of corner and edge-sharing CDy5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°.

Publication Date:
Other Number(s):
mp-1188135
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; Dy2ReC2; C-Dy-Re
OSTI Identifier:
1744051
DOI:
https://doi.org/10.17188/1744051

Citation Formats

The Materials Project. Materials Data on Dy2ReC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744051.
The Materials Project. Materials Data on Dy2ReC2 by Materials Project. United States. doi:https://doi.org/10.17188/1744051
The Materials Project. 2020. "Materials Data on Dy2ReC2 by Materials Project". United States. doi:https://doi.org/10.17188/1744051. https://www.osti.gov/servlets/purl/1744051. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744051,
title = {Materials Data on Dy2ReC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to five C atoms to form a mixture of corner and edge-sharing DyC5 square pyramids. There are one shorter (2.50 Å) and four longer (2.57 Å) Dy–C bond lengths. In the second Dy site, Dy is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Dy–C bond distances ranging from 2.53–2.67 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 1.93–2.04 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Dy and two equivalent Re atoms to form a mixture of corner and edge-sharing CDy4Re2 octahedra. The corner-sharing octahedra tilt angles range from 11–39°. In the second C site, C is bonded to five Dy and one Re atom to form a mixture of corner and edge-sharing CDy5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°.},
doi = {10.17188/1744051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}