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Title: Materials Data on Ce2Ni5B4 by Materials Project

Abstract

Ce2Ni5B4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 1-coordinate geometry to five B3- atoms. There are three shorter (2.85 Å) and two longer (2.91 Å) Ce–B bond lengths. There are two inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.19 Å. In the second Ni+1.20+ site, Ni+1.20+ is bonded in a linear geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.03 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 6-coordinate geometry to two equivalent Ce3+, five Ni+1.20+, and one B3- atom. The B–B bond length is 1.67 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ce3+, four equivalent Ni+1.20+, and two B3- atoms. The B–B bond length is 1.78 Å.

Authors:
Publication Date:
Other Number(s):
mp-1095458
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; Ce2Ni5B4; B-Ce-Ni
OSTI Identifier:
1683737
DOI:
https://doi.org/10.17188/1683737

Citation Formats

The Materials Project. Materials Data on Ce2Ni5B4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683737.
The Materials Project. Materials Data on Ce2Ni5B4 by Materials Project. United States. doi:https://doi.org/10.17188/1683737
The Materials Project. 2020. "Materials Data on Ce2Ni5B4 by Materials Project". United States. doi:https://doi.org/10.17188/1683737. https://www.osti.gov/servlets/purl/1683737. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683737,
title = {Materials Data on Ce2Ni5B4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Ni5B4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 1-coordinate geometry to five B3- atoms. There are three shorter (2.85 Å) and two longer (2.91 Å) Ce–B bond lengths. There are two inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.19 Å. In the second Ni+1.20+ site, Ni+1.20+ is bonded in a linear geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.03 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 6-coordinate geometry to two equivalent Ce3+, five Ni+1.20+, and one B3- atom. The B–B bond length is 1.67 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ce3+, four equivalent Ni+1.20+, and two B3- atoms. The B–B bond length is 1.78 Å.},
doi = {10.17188/1683737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}