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Title: Materials Data on Er2(Ni2B)5 by Materials Project

Abstract

Er2(Ni2B)5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to fourteen Ni and five B atoms. There are a spread of Er–Ni bond distances ranging from 2.78–3.16 Å. There are a spread of Er–B bond distances ranging from 2.70–3.03 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to fifteen Ni and three B atoms. There are a spread of Er–Ni bond distances ranging from 2.76–3.33 Å. There are a spread of Er–B bond distances ranging from 2.73–2.85 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Er and three B atoms. There are a spread of Ni–B bond distances ranging from 1.97–2.07 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to three Er and three B atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.13 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to two Er and three B atoms. There are a spread of Ni–B bond distancesmore » ranging from 2.04–2.11 Å. In the fourth Ni site, Ni is bonded in a 3-coordinate geometry to three Er and three B atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.05 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Er and three B atoms. There are a spread of Ni–B bond distances ranging from 1.92–2.20 Å. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to two Er and four B atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.12 Å. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to three Er and four B atoms. There are a spread of Ni–B bond distances ranging from 2.04–2.09 Å. In the eighth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Er and three B atoms. There are a spread of Ni–B bond distances ranging from 2.01–2.09 Å. In the ninth Ni site, Ni is bonded in a 2-coordinate geometry to four Er and three B atoms. There are two shorter (2.04 Å) and one longer (2.13 Å) Ni–B bond lengths. In the tenth Ni site, Ni is bonded in a 2-coordinate geometry to three equivalent Er and two B atoms. There are one shorter (2.02 Å) and one longer (2.20 Å) Ni–B bond lengths. There are five inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two equivalent Er, six Ni, and one B atom. The B–B bond length is 1.71 Å. In the second B site, B is bonded in a 8-coordinate geometry to one Er, six Ni, and one B atom. In the third B site, B is bonded in a 9-coordinate geometry to two equivalent Er, six Ni, and one B atom. The B–B bond length is 1.90 Å. In the fourth B site, B is bonded in a 7-coordinate geometry to one Er and seven Ni atoms. In the fifth B site, B is bonded in a 9-coordinate geometry to two equivalent Er, six Ni, and one B atom.« less

Publication Date:
Other Number(s):
mp-1197355
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; Er2(Ni2B)5; B-Er-Ni
OSTI Identifier:
1725160
DOI:
https://doi.org/10.17188/1725160

Citation Formats

The Materials Project. Materials Data on Er2(Ni2B)5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1725160.
The Materials Project. Materials Data on Er2(Ni2B)5 by Materials Project. United States. doi:https://doi.org/10.17188/1725160
The Materials Project. 2019. "Materials Data on Er2(Ni2B)5 by Materials Project". United States. doi:https://doi.org/10.17188/1725160. https://www.osti.gov/servlets/purl/1725160. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1725160,
title = {Materials Data on Er2(Ni2B)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2(Ni2B)5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to fourteen Ni and five B atoms. There are a spread of Er–Ni bond distances ranging from 2.78–3.16 Å. There are a spread of Er–B bond distances ranging from 2.70–3.03 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to fifteen Ni and three B atoms. There are a spread of Er–Ni bond distances ranging from 2.76–3.33 Å. There are a spread of Er–B bond distances ranging from 2.73–2.85 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Er and three B atoms. There are a spread of Ni–B bond distances ranging from 1.97–2.07 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to three Er and three B atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.13 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to two Er and three B atoms. There are a spread of Ni–B bond distances ranging from 2.04–2.11 Å. In the fourth Ni site, Ni is bonded in a 3-coordinate geometry to three Er and three B atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.05 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Er and three B atoms. There are a spread of Ni–B bond distances ranging from 1.92–2.20 Å. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to two Er and four B atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.12 Å. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to three Er and four B atoms. There are a spread of Ni–B bond distances ranging from 2.04–2.09 Å. In the eighth Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Er and three B atoms. There are a spread of Ni–B bond distances ranging from 2.01–2.09 Å. In the ninth Ni site, Ni is bonded in a 2-coordinate geometry to four Er and three B atoms. There are two shorter (2.04 Å) and one longer (2.13 Å) Ni–B bond lengths. In the tenth Ni site, Ni is bonded in a 2-coordinate geometry to three equivalent Er and two B atoms. There are one shorter (2.02 Å) and one longer (2.20 Å) Ni–B bond lengths. There are five inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two equivalent Er, six Ni, and one B atom. The B–B bond length is 1.71 Å. In the second B site, B is bonded in a 8-coordinate geometry to one Er, six Ni, and one B atom. In the third B site, B is bonded in a 9-coordinate geometry to two equivalent Er, six Ni, and one B atom. The B–B bond length is 1.90 Å. In the fourth B site, B is bonded in a 7-coordinate geometry to one Er and seven Ni atoms. In the fifth B site, B is bonded in a 9-coordinate geometry to two equivalent Er, six Ni, and one B atom.},
doi = {10.17188/1725160},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}