DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CeThB8 by Materials Project

Abstract

ThCeB8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Th–B bond distances ranging from 2.77–3.07 Å. Ce is bonded in a 12-coordinate geometry to eighteen B atoms. There are a spread of Ce–B bond distances ranging from 2.75–3.09 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. There are a spread of B–B bond distances ranging from 1.65–1.79 Å. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. There are a spread of B–B bond distances ranging from 1.74–1.84 Å. In the third B site, B is bonded in a 9-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. The B–B bond length is 1.74 Å. In the fourth B site, B is bonded in a distorted trigonal planar geometry to four equivalent Th, two equivalent Ce, and three B atoms. The B–B bond length is 1.82 Å. In the fifth Bmore » site, B is bonded in a distorted trigonal planar geometry to two equivalent Th, four equivalent Ce, and three B atoms. The B–B bond length is 1.81 Å.« less

Publication Date:
Other Number(s):
mp-1226547
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; CeThB8; B-Ce-Th
OSTI Identifier:
1759528
DOI:
https://doi.org/10.17188/1759528

Citation Formats

The Materials Project. Materials Data on CeThB8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759528.
The Materials Project. Materials Data on CeThB8 by Materials Project. United States. doi:https://doi.org/10.17188/1759528
The Materials Project. 2020. "Materials Data on CeThB8 by Materials Project". United States. doi:https://doi.org/10.17188/1759528. https://www.osti.gov/servlets/purl/1759528. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759528,
title = {Materials Data on CeThB8 by Materials Project},
author = {The Materials Project},
abstractNote = {ThCeB8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Th–B bond distances ranging from 2.77–3.07 Å. Ce is bonded in a 12-coordinate geometry to eighteen B atoms. There are a spread of Ce–B bond distances ranging from 2.75–3.09 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. There are a spread of B–B bond distances ranging from 1.65–1.79 Å. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. There are a spread of B–B bond distances ranging from 1.74–1.84 Å. In the third B site, B is bonded in a 9-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. The B–B bond length is 1.74 Å. In the fourth B site, B is bonded in a distorted trigonal planar geometry to four equivalent Th, two equivalent Ce, and three B atoms. The B–B bond length is 1.82 Å. In the fifth B site, B is bonded in a distorted trigonal planar geometry to two equivalent Th, four equivalent Ce, and three B atoms. The B–B bond length is 1.81 Å.},
doi = {10.17188/1759528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}