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Title: Materials Data on Th2Sc(B2C)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1701001· OSTI ID:1701001

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1701001
Report Number(s):
mp-1208224
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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