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Title: Materials Data on Ho2Co7B3 by Materials Project

Abstract

Ho2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to two equivalent Ho, twelve equivalent Co, and six equivalent B atoms. Both Ho–Ho bond lengths are 3.06 Å. All Ho–Co bond lengths are 2.91 Å. All Ho–B bond lengths are 2.89 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to one Ho, twelve Co, and six equivalent B atoms. There are six shorter (2.85 Å) and six longer (2.95 Å) Ho–Co bond lengths. All Ho–B bond lengths are 2.89 Å. In the third Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Ho–Co bond lengths are 2.89 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Co atoms. All Co–Co bond lengths are 2.44 Å. In the second Co site, Co is bonded in a distorted square co-planar geometry to four Ho and four B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bondedmore » in a distorted L-shaped geometry to two equivalent Ho, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Co atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-976597
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; Ho2Co7B3; B-Co-Ho
OSTI Identifier:
1315306
DOI:
10.17188/1315306

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ho2Co7B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315306.
Persson, Kristin, & Project, Materials. Materials Data on Ho2Co7B3 by Materials Project. United States. doi:10.17188/1315306.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ho2Co7B3 by Materials Project". United States. doi:10.17188/1315306. https://www.osti.gov/servlets/purl/1315306. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1315306,
title = {Materials Data on Ho2Co7B3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ho2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to two equivalent Ho, twelve equivalent Co, and six equivalent B atoms. Both Ho–Ho bond lengths are 3.06 Å. All Ho–Co bond lengths are 2.91 Å. All Ho–B bond lengths are 2.89 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to one Ho, twelve Co, and six equivalent B atoms. There are six shorter (2.85 Å) and six longer (2.95 Å) Ho–Co bond lengths. All Ho–B bond lengths are 2.89 Å. In the third Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Ho–Co bond lengths are 2.89 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Co atoms. All Co–Co bond lengths are 2.44 Å. In the second Co site, Co is bonded in a distorted square co-planar geometry to four Ho and four B atoms. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Ho, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Co atoms.},
doi = {10.17188/1315306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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