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

Title: Materials Data on HoCrB4 by Materials Project

Abstract

HoCrB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ho–B bond distances ranging from 2.60–2.73 Å. Cr3+ is bonded in a 11-coordinate geometry to one Cr3+ and ten B+1.50- atoms. The Cr–Cr bond length is 2.33 Å. There are a spread of Cr–B bond distances ranging from 2.24–2.31 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Cr3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.83 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ho3+, four equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.71 Å) and one longer (1.74 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, twomore » equivalent Cr3+, and three B+1.50- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1191543
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; HoCrB4; B-Cr-Ho
OSTI Identifier:
1732048
DOI:
https://doi.org/10.17188/1732048

Citation Formats

The Materials Project. Materials Data on HoCrB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732048.
The Materials Project. Materials Data on HoCrB4 by Materials Project. United States. doi:https://doi.org/10.17188/1732048
The Materials Project. 2020. "Materials Data on HoCrB4 by Materials Project". United States. doi:https://doi.org/10.17188/1732048. https://www.osti.gov/servlets/purl/1732048. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732048,
title = {Materials Data on HoCrB4 by Materials Project},
author = {The Materials Project},
abstractNote = {HoCrB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ho–B bond distances ranging from 2.60–2.73 Å. Cr3+ is bonded in a 11-coordinate geometry to one Cr3+ and ten B+1.50- atoms. The Cr–Cr bond length is 2.33 Å. There are a spread of Cr–B bond distances ranging from 2.24–2.31 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Cr3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.83 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ho3+, four equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.71 Å) and one longer (1.74 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ho3+, two equivalent Cr3+, and three B+1.50- atoms.},
doi = {10.17188/1732048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}