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Title: Materials Data on UB2C by Materials Project

Abstract

UB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All U–C bond lengths are 2.44 Å. In the second U4+ site, U4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing UC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.60 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded to four U4+ and two equivalent B atoms to form a mixture of distorted edge and corner-sharing CU4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–78°.

Publication Date:
Other Number(s):
mp-11332
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; UB2C; B-C-U
OSTI Identifier:
1187744
DOI:
https://doi.org/10.17188/1187744

Citation Formats

The Materials Project. Materials Data on UB2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187744.
The Materials Project. Materials Data on UB2C by Materials Project. United States. doi:https://doi.org/10.17188/1187744
The Materials Project. 2020. "Materials Data on UB2C by Materials Project". United States. doi:https://doi.org/10.17188/1187744. https://www.osti.gov/servlets/purl/1187744. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187744,
title = {Materials Data on UB2C by Materials Project},
author = {The Materials Project},
abstractNote = {UB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All U–C bond lengths are 2.44 Å. In the second U4+ site, U4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing UC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.60 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded to four U4+ and two equivalent B atoms to form a mixture of distorted edge and corner-sharing CU4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–78°.},
doi = {10.17188/1187744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}