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Title: Materials Data on U2Mo2C3 by Materials Project

Abstract

U2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U4+ is bonded in a pentagonal planar geometry to five C4- atoms. There are three shorter (2.43 Å) and two longer (2.46 Å) U–C bond lengths. Mo2+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing MoC4 trigonal pyramids. There are a spread of Mo–C bond distances ranging from 2.11–2.18 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U4+ and two equivalent Mo2+ atoms to form CU4Mo2 octahedra that share corners with twelve equivalent CU3Mo3 octahedra, edges with two equivalent CU4Mo2 octahedra, and faces with two equivalent CU3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 40–59°. In the second C4- site, C4- is bonded to three equivalent U4+ and three equivalent Mo2+ atoms to form CU3Mo3 octahedra that share corners with six equivalent CU4Mo2 octahedra, edges with six equivalent CU3Mo3 octahedra, and a faceface with one CU4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 40–59°.

Authors:
Publication Date:
Other Number(s):
mp-1078036
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; U2Mo2C3; C-Mo-U
OSTI Identifier:
1758527
DOI:
https://doi.org/10.17188/1758527

Citation Formats

The Materials Project. Materials Data on U2Mo2C3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758527.
The Materials Project. Materials Data on U2Mo2C3 by Materials Project. United States. doi:https://doi.org/10.17188/1758527
The Materials Project. 2020. "Materials Data on U2Mo2C3 by Materials Project". United States. doi:https://doi.org/10.17188/1758527. https://www.osti.gov/servlets/purl/1758527. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758527,
title = {Materials Data on U2Mo2C3 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U4+ is bonded in a pentagonal planar geometry to five C4- atoms. There are three shorter (2.43 Å) and two longer (2.46 Å) U–C bond lengths. Mo2+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing MoC4 trigonal pyramids. There are a spread of Mo–C bond distances ranging from 2.11–2.18 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U4+ and two equivalent Mo2+ atoms to form CU4Mo2 octahedra that share corners with twelve equivalent CU3Mo3 octahedra, edges with two equivalent CU4Mo2 octahedra, and faces with two equivalent CU3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 40–59°. In the second C4- site, C4- is bonded to three equivalent U4+ and three equivalent Mo2+ atoms to form CU3Mo3 octahedra that share corners with six equivalent CU4Mo2 octahedra, edges with six equivalent CU3Mo3 octahedra, and a faceface with one CU4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 40–59°.},
doi = {10.17188/1758527},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}