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Title: Materials Data on Er2OsC2 by Materials Project

Abstract

Er2OsC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.46–2.56 Å. In the second Er3+ site, Er3+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Er–C bond distances ranging from 2.51–2.55 Å. Os2+ is bonded in a distorted trigonal planar geometry to three C4- atoms. There are a spread of Os–C bond distances ranging from 1.94–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four Er3+ and two equivalent Os2+ atoms to form a mixture of corner and edge-sharing CEr4Os2 octahedra. The corner-sharing octahedra tilt angles range from 10–39°. In the second C4- site, C4- is bonded to five Er3+ and one Os2+ atom to form a mixture of corner and edge-sharing CEr5Os octahedra. The corner-sharing octahedra tilt angles range from 3–39°.

Authors:
Publication Date:
Other Number(s):
mp-1213006
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er2OsC2; C-Er-Os
OSTI Identifier:
1734242
DOI:
https://doi.org/10.17188/1734242

Citation Formats

The Materials Project. Materials Data on Er2OsC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734242.
The Materials Project. Materials Data on Er2OsC2 by Materials Project. United States. doi:https://doi.org/10.17188/1734242
The Materials Project. 2020. "Materials Data on Er2OsC2 by Materials Project". United States. doi:https://doi.org/10.17188/1734242. https://www.osti.gov/servlets/purl/1734242. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1734242,
title = {Materials Data on Er2OsC2 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2OsC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five C4- atoms to form a mixture of corner and edge-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.46–2.56 Å. In the second Er3+ site, Er3+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Er–C bond distances ranging from 2.51–2.55 Å. Os2+ is bonded in a distorted trigonal planar geometry to three C4- atoms. There are a spread of Os–C bond distances ranging from 1.94–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four Er3+ and two equivalent Os2+ atoms to form a mixture of corner and edge-sharing CEr4Os2 octahedra. The corner-sharing octahedra tilt angles range from 10–39°. In the second C4- site, C4- is bonded to five Er3+ and one Os2+ atom to form a mixture of corner and edge-sharing CEr5Os octahedra. The corner-sharing octahedra tilt angles range from 3–39°.},
doi = {10.17188/1734242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}