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Title: Materials Data on HoNi4B by Materials Project

Abstract

HoNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Ho–Ni bond lengths are 2.86 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Ho–Ni bond lengths are 2.87 Å. All Ho–B bond lengths are 2.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Ho, two equivalent Ni, and two equivalent B atoms. Both Ni–Ni bond lengths are 2.48 Å. Both Ni–B bond lengths are 2.03 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and nine Ni atoms. All Ni–Ni bond lengths are 2.86 Å. B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-10398
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; HoNi4B; B-Ho-Ni
OSTI Identifier:
1187089
DOI:
10.17188/1187089

Citation Formats

The Materials Project. Materials Data on HoNi4B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187089.
The Materials Project. Materials Data on HoNi4B by Materials Project. United States. doi:10.17188/1187089.
The Materials Project. 2020. "Materials Data on HoNi4B by Materials Project". United States. doi:10.17188/1187089. https://www.osti.gov/servlets/purl/1187089. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1187089,
title = {Materials Data on HoNi4B by Materials Project},
author = {The Materials Project},
abstractNote = {HoNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Ho–Ni bond lengths are 2.86 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Ho–Ni bond lengths are 2.87 Å. All Ho–B bond lengths are 2.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Ho, two equivalent Ni, and two equivalent B atoms. Both Ni–Ni bond lengths are 2.48 Å. Both Ni–B bond lengths are 2.03 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and nine Ni atoms. All Ni–Ni bond lengths are 2.86 Å. B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.},
doi = {10.17188/1187089},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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