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Title: Materials Data on Th2NiB10 by Materials Project

Abstract

Th2NiB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to twenty B+1.20- atoms. There are a spread of Th–B bond distances ranging from 2.91–3.00 Å. Ni4+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are a spread of Ni–B bond distances ranging from 2.12–2.17 Å. There are four inequivalent B+1.20- sites. In the first B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+, one Ni4+, and four B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.68–1.79 Å. In the second B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+ and five B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.66–1.77 Å. In the third B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Th4+, one Ni4+, and four B+1.20- atoms. There is one shorter (1.67 Å) and one longer (1.77 Å) B–B bond length. In the fourth B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+, one Ni4+, and four B+1.20- atoms.

Publication Date:
Other Number(s):
mp-20109
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; Th2NiB10; B-Ni-Th
OSTI Identifier:
1195256
DOI:
https://doi.org/10.17188/1195256

Citation Formats

The Materials Project. Materials Data on Th2NiB10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195256.
The Materials Project. Materials Data on Th2NiB10 by Materials Project. United States. doi:https://doi.org/10.17188/1195256
The Materials Project. 2020. "Materials Data on Th2NiB10 by Materials Project". United States. doi:https://doi.org/10.17188/1195256. https://www.osti.gov/servlets/purl/1195256. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1195256,
title = {Materials Data on Th2NiB10 by Materials Project},
author = {The Materials Project},
abstractNote = {Th2NiB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to twenty B+1.20- atoms. There are a spread of Th–B bond distances ranging from 2.91–3.00 Å. Ni4+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are a spread of Ni–B bond distances ranging from 2.12–2.17 Å. There are four inequivalent B+1.20- sites. In the first B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+, one Ni4+, and four B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.68–1.79 Å. In the second B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+ and five B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.66–1.77 Å. In the third B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Th4+, one Ni4+, and four B+1.20- atoms. There is one shorter (1.67 Å) and one longer (1.77 Å) B–B bond length. In the fourth B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+, one Ni4+, and four B+1.20- atoms.},
doi = {10.17188/1195256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}