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Title: Materials Data on Th(BRu)4 by Materials Project

Abstract

Th(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent B3- atoms to form distorted ThB12 cuboctahedra that share corners with twelve equivalent RuB5 trigonal bipyramids, edges with twelve equivalent ThB12 cuboctahedra, edges with four equivalent RuB5 trigonal bipyramids, and faces with twelve equivalent RuB5 trigonal bipyramids. There are a spread of Th–B bond distances ranging from 3.02–3.22 Å. Ru2+ is bonded to five equivalent B3- atoms to form distorted RuB5 trigonal bipyramids that share corners with three equivalent ThB12 cuboctahedra, corners with eight equivalent RuB5 trigonal bipyramids, an edgeedge with one ThB12 cuboctahedra, edges with six equivalent RuB5 trigonal bipyramids, and faces with three equivalent ThB12 cuboctahedra. There are a spread of Ru–B bond distances ranging from 2.16–2.31 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Th4+, five equivalent Ru2+, and one B3- atom. The B–B bond length is 1.81 Å.

Publication Date:
Other Number(s):
mp-1203781
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; Th(BRu)4; B-Ru-Th
OSTI Identifier:
1677287
DOI:
https://doi.org/10.17188/1677287

Citation Formats

The Materials Project. Materials Data on Th(BRu)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677287.
The Materials Project. Materials Data on Th(BRu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1677287
The Materials Project. 2020. "Materials Data on Th(BRu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1677287. https://www.osti.gov/servlets/purl/1677287. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677287,
title = {Materials Data on Th(BRu)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Th(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent B3- atoms to form distorted ThB12 cuboctahedra that share corners with twelve equivalent RuB5 trigonal bipyramids, edges with twelve equivalent ThB12 cuboctahedra, edges with four equivalent RuB5 trigonal bipyramids, and faces with twelve equivalent RuB5 trigonal bipyramids. There are a spread of Th–B bond distances ranging from 3.02–3.22 Å. Ru2+ is bonded to five equivalent B3- atoms to form distorted RuB5 trigonal bipyramids that share corners with three equivalent ThB12 cuboctahedra, corners with eight equivalent RuB5 trigonal bipyramids, an edgeedge with one ThB12 cuboctahedra, edges with six equivalent RuB5 trigonal bipyramids, and faces with three equivalent ThB12 cuboctahedra. There are a spread of Ru–B bond distances ranging from 2.16–2.31 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Th4+, five equivalent Ru2+, and one B3- atom. The B–B bond length is 1.81 Å.},
doi = {10.17188/1677287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}