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Title: Materials Data on HoGa2Ni3 by Materials Project

Abstract

HoNi3Ga2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to nine Ni and nine Ga atoms. There are a spread of Ho–Ni bond distances ranging from 3.03–3.10 Å. There are a spread of Ho–Ga bond distances ranging from 3.21–3.26 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to twelve Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.81–3.30 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to three Ho, four Ni, and four Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.53–2.94 Å. There are a spread of Ni–Ga bond distances ranging from 2.36–2.45 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to three Ho, four Ni, and four Ga atoms. There are two shorter (2.53 Å) and one longer (2.68 Å) Ni–Ni bond lengths. There are a spread of Ni–Ga bond distances ranging from 2.37–2.45 Å. In the third Ni site, Ni is bonded in a 11-coordinate geometry tomore » three Ho, four Ni, and four Ga atoms. There are two shorter (2.53 Å) and one longer (2.95 Å) Ni–Ni bond lengths. There are a spread of Ni–Ga bond distances ranging from 2.36–2.45 Å. In the fourth Ni site, Ni is bonded to four Ho, four equivalent Ni, and four Ga atoms to form a mixture of distorted corner and face-sharing NiHo4Ga4Ni4 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.64 Å) Ni–Ga bond lengths. In the fifth Ni site, Ni is bonded to four Ho, four Ni, and four Ga atoms to form a mixture of distorted corner and face-sharing NiHo4Ga4Ni4 cuboctahedra. There are a spread of Ni–Ga bond distances ranging from 2.48–2.63 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ho and six Ni atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ho and six Ni atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho and six Ni atoms. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho and six Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224460
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; HoGa2Ni3; Ga-Ho-Ni
OSTI Identifier:
1687848
DOI:
https://doi.org/10.17188/1687848

Citation Formats

The Materials Project. Materials Data on HoGa2Ni3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687848.
The Materials Project. Materials Data on HoGa2Ni3 by Materials Project. United States. doi:https://doi.org/10.17188/1687848
The Materials Project. 2019. "Materials Data on HoGa2Ni3 by Materials Project". United States. doi:https://doi.org/10.17188/1687848. https://www.osti.gov/servlets/purl/1687848. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1687848,
title = {Materials Data on HoGa2Ni3 by Materials Project},
author = {The Materials Project},
abstractNote = {HoNi3Ga2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to nine Ni and nine Ga atoms. There are a spread of Ho–Ni bond distances ranging from 3.03–3.10 Å. There are a spread of Ho–Ga bond distances ranging from 3.21–3.26 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to twelve Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.81–3.30 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to three Ho, four Ni, and four Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.53–2.94 Å. There are a spread of Ni–Ga bond distances ranging from 2.36–2.45 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to three Ho, four Ni, and four Ga atoms. There are two shorter (2.53 Å) and one longer (2.68 Å) Ni–Ni bond lengths. There are a spread of Ni–Ga bond distances ranging from 2.37–2.45 Å. In the third Ni site, Ni is bonded in a 11-coordinate geometry to three Ho, four Ni, and four Ga atoms. There are two shorter (2.53 Å) and one longer (2.95 Å) Ni–Ni bond lengths. There are a spread of Ni–Ga bond distances ranging from 2.36–2.45 Å. In the fourth Ni site, Ni is bonded to four Ho, four equivalent Ni, and four Ga atoms to form a mixture of distorted corner and face-sharing NiHo4Ga4Ni4 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.64 Å) Ni–Ga bond lengths. In the fifth Ni site, Ni is bonded to four Ho, four Ni, and four Ga atoms to form a mixture of distorted corner and face-sharing NiHo4Ga4Ni4 cuboctahedra. There are a spread of Ni–Ga bond distances ranging from 2.48–2.63 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ho and six Ni atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ho and six Ni atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho and six Ni atoms. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho and six Ni atoms.},
doi = {10.17188/1687848},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}