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Title: Materials Data on Er2Mo2C3 by Materials Project

Abstract

Er2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.42–2.52 Å. Mo3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Mo–C bond distances ranging from 2.06–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Er3+ and three equivalent Mo3+ atoms to form CEr3Mo3 octahedra that share corners with three equivalent CEr4Mo2 octahedra and edges with nine CEr3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 10–28°. In the second C4- site, C4- is bonded to four equivalent Er3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CEr4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 10–28°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3776
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; Er2Mo2C3; C-Er-Mo
OSTI Identifier:
1207413
DOI:
10.17188/1207413

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Er2Mo2C3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207413.
Persson, Kristin, & Project, Materials. Materials Data on Er2Mo2C3 by Materials Project. United States. doi:10.17188/1207413.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Er2Mo2C3 by Materials Project". United States. doi:10.17188/1207413. https://www.osti.gov/servlets/purl/1207413. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207413,
title = {Materials Data on Er2Mo2C3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Er2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er3+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.42–2.52 Å. Mo3+ is bonded in a distorted see-saw-like geometry to four C4- atoms. There are a spread of Mo–C bond distances ranging from 2.06–2.17 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Er3+ and three equivalent Mo3+ atoms to form CEr3Mo3 octahedra that share corners with three equivalent CEr4Mo2 octahedra and edges with nine CEr3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 10–28°. In the second C4- site, C4- is bonded to four equivalent Er3+ and two equivalent Mo3+ atoms to form a mixture of edge and corner-sharing CEr4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 10–28°.},
doi = {10.17188/1207413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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