Materials Data on Th2Sc(B2C)3 by Materials Project
Abstract
ScTh2(B2C)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one scandium molecule and one Th2(B2C)3 framework. In the Th2(B2C)3 framework, Th4+ is bonded to six equivalent C+3.67- atoms to form a mixture of distorted corner, edge, and face-sharing ThC6 pentagonal pyramids. All Th–C bond lengths are 2.62 Å. B is bonded in a distorted single-bond geometry to one C+3.67- atom. The B–C bond length is 1.51 Å. C+3.67- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent B atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208224
- 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; Th2Sc(B2C)3; B-C-Sc-Th
- OSTI Identifier:
- 1701001
- DOI:
- https://doi.org/10.17188/1701001
Citation Formats
The Materials Project. Materials Data on Th2Sc(B2C)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1701001.
The Materials Project. Materials Data on Th2Sc(B2C)3 by Materials Project. United States. doi:https://doi.org/10.17188/1701001
The Materials Project. 2020.
"Materials Data on Th2Sc(B2C)3 by Materials Project". United States. doi:https://doi.org/10.17188/1701001. https://www.osti.gov/servlets/purl/1701001. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1701001,
title = {Materials Data on Th2Sc(B2C)3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScTh2(B2C)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one scandium molecule and one Th2(B2C)3 framework. In the Th2(B2C)3 framework, Th4+ is bonded to six equivalent C+3.67- atoms to form a mixture of distorted corner, edge, and face-sharing ThC6 pentagonal pyramids. All Th–C bond lengths are 2.62 Å. B is bonded in a distorted single-bond geometry to one C+3.67- atom. The B–C bond length is 1.51 Å. C+3.67- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent B atoms.},
doi = {10.17188/1701001},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon May 04 00:00:00 EDT 2020},
month = {Mon May 04 00:00:00 EDT 2020}
}
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