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Title: Materials Data on Ho2(Ni2B)5 by Materials Project

Abstract

Ho2(Ni2B)5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to fifteen Ni and three B atoms. There are a spread of Ho–Ni bond distances ranging from 2.75–3.33 Å. There are a spread of Ho–B bond distances ranging from 2.72–2.85 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to fourteen Ni and five B atoms. There are a spread of Ho–Ni bond distances ranging from 2.78–3.16 Å. There are a spread of Ho–B bond distances ranging from 2.71–3.05 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to three Ho and four B atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.10 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to two Ho and three B atoms. There are two shorter (2.06 Å) and one longer (2.10 Å) Ni–B bond lengths. In the third Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Ho and three B atoms. There are a spread of Ni–Bmore » bond distances ranging from 1.92–2.19 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three Ho and three B atoms. There are two shorter (2.03 Å) and one longer (2.06 Å) Ni–B bond lengths. In the fifth Ni site, Ni is bonded in a 2-coordinate geometry to three Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.13 Å. In the sixth Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ho and two B atoms. There are one shorter (2.02 Å) and one longer (2.22 Å) Ni–B bond lengths. In the seventh Ni site, Ni is bonded in a 2-coordinate geometry to four Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.13 Å. In the eighth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 1.97–2.06 Å. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.09 Å. In the tenth Ni site, Ni is bonded in a 4-coordinate geometry to two Ho and four B atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.13 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to two equivalent Ho, six Ni, and one B atom. The B–B bond length is 1.91 Å. In the second B site, B is bonded in a 7-coordinate geometry to two equivalent Ho, six Ni, and one B atom. The B–B bond length is 1.72 Å. In the third B site, B is bonded in a 7-coordinate geometry to one Ho and seven Ni atoms. In the fourth B site, B is bonded in a 9-coordinate geometry to two equivalent Ho, six Ni, and one B atom. In the fifth B site, B is bonded in a 8-coordinate geometry to one Ho, six Ni, and one B atom.« less

Publication Date:
Other Number(s):
mp-568440
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; Ho2(Ni2B)5; B-Ho-Ni
OSTI Identifier:
1274440
DOI:
10.17188/1274440

Citation Formats

The Materials Project. Materials Data on Ho2(Ni2B)5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274440.
The Materials Project. Materials Data on Ho2(Ni2B)5 by Materials Project. United States. doi:10.17188/1274440.
The Materials Project. 2020. "Materials Data on Ho2(Ni2B)5 by Materials Project". United States. doi:10.17188/1274440. https://www.osti.gov/servlets/purl/1274440. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274440,
title = {Materials Data on Ho2(Ni2B)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2(Ni2B)5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to fifteen Ni and three B atoms. There are a spread of Ho–Ni bond distances ranging from 2.75–3.33 Å. There are a spread of Ho–B bond distances ranging from 2.72–2.85 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to fourteen Ni and five B atoms. There are a spread of Ho–Ni bond distances ranging from 2.78–3.16 Å. There are a spread of Ho–B bond distances ranging from 2.71–3.05 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to three Ho and four B atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.10 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to two Ho and three B atoms. There are two shorter (2.06 Å) and one longer (2.10 Å) Ni–B bond lengths. In the third Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 1.92–2.19 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three Ho and three B atoms. There are two shorter (2.03 Å) and one longer (2.06 Å) Ni–B bond lengths. In the fifth Ni site, Ni is bonded in a 2-coordinate geometry to three Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.13 Å. In the sixth Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ho and two B atoms. There are one shorter (2.02 Å) and one longer (2.22 Å) Ni–B bond lengths. In the seventh Ni site, Ni is bonded in a 2-coordinate geometry to four Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.13 Å. In the eighth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 1.97–2.06 Å. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Ho and three B atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.09 Å. In the tenth Ni site, Ni is bonded in a 4-coordinate geometry to two Ho and four B atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.13 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to two equivalent Ho, six Ni, and one B atom. The B–B bond length is 1.91 Å. In the second B site, B is bonded in a 7-coordinate geometry to two equivalent Ho, six Ni, and one B atom. The B–B bond length is 1.72 Å. In the third B site, B is bonded in a 7-coordinate geometry to one Ho and seven Ni atoms. In the fourth B site, B is bonded in a 9-coordinate geometry to two equivalent Ho, six Ni, and one B atom. In the fifth B site, B is bonded in a 8-coordinate geometry to one Ho, six Ni, and one B atom.},
doi = {10.17188/1274440},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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