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Title: Materials Data on Yb2(Ni2B)5 by Materials Project

Abstract

Yb2(Ni2B)5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 2-coordinate geometry to two equivalent B3- atoms. There are one shorter (2.69 Å) and one longer (2.74 Å) Yb–B bond lengths. In the second Yb2+ site, Yb2+ is bonded in a 3-coordinate geometry to three B3- atoms. There are a spread of Yb–B bond distances ranging from 2.71–2.83 Å. There are ten inequivalent Ni+1.10+ sites. In the first Ni+1.10+ site, Ni+1.10+ is bonded in a trigonal non-coplanar geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 1.95–2.04 Å. In the second Ni+1.10+ site, Ni+1.10+ is bonded in a 3-coordinate geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.01–2.11 Å. In the third Ni+1.10+ site, Ni+1.10+ is bonded in a 2-coordinate geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.04–2.09 Å. In the fourth Ni+1.10+ site, Ni+1.10+ is bonded in a distorted trigonal non-coplanar geometry to three B3- atoms. There are two shorter (2.02 Å) and one longer (2.05 Å) Ni–B bond lengths.more » In the fifth Ni+1.10+ site, Ni+1.10+ is bonded in a distorted trigonal non-coplanar geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 1.91–2.17 Å. In the sixth Ni+1.10+ site, Ni+1.10+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.12 Å. In the seventh Ni+1.10+ site, Ni+1.10+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.04–2.08 Å. In the eighth Ni+1.10+ site, Ni+1.10+ is bonded in a distorted trigonal non-coplanar geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.00–2.08 Å. In the ninth Ni+1.10+ site, Ni+1.10+ is bonded in a 2-coordinate geometry to three B3- atoms. There are two shorter (2.03 Å) and one longer (2.12 Å) Ni–B bond lengths. In the tenth Ni+1.10+ site, Ni+1.10+ is bonded in a bent 150 degrees geometry to two B3- atoms. There are one shorter (2.00 Å) and one longer (2.19 Å) Ni–B bond lengths. There are five inequivalent B3- sites. In the first B3- site, B3- is bonded in a 7-coordinate geometry to six Ni+1.10+ and one B3- atom. The B–B bond length is 1.71 Å. In the second B3- site, B3- is bonded in a 8-coordinate geometry to one Yb2+, six Ni+1.10+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Yb2+, six Ni+1.10+, and one B3- atom. The B–B bond length is 1.89 Å. In the fourth B3- site, B3- is bonded in a 7-coordinate geometry to seven Ni+1.10+ atoms. In the fifth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Yb2+, six Ni+1.10+, and one B3- atom.« less

Publication Date:
Other Number(s):
mp-1204889
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; Yb2(Ni2B)5; B-Ni-Yb
OSTI Identifier:
1727105
DOI:
https://doi.org/10.17188/1727105

Citation Formats

The Materials Project. Materials Data on Yb2(Ni2B)5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727105.
The Materials Project. Materials Data on Yb2(Ni2B)5 by Materials Project. United States. doi:https://doi.org/10.17188/1727105
The Materials Project. 2020. "Materials Data on Yb2(Ni2B)5 by Materials Project". United States. doi:https://doi.org/10.17188/1727105. https://www.osti.gov/servlets/purl/1727105. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727105,
title = {Materials Data on Yb2(Ni2B)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2(Ni2B)5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 2-coordinate geometry to two equivalent B3- atoms. There are one shorter (2.69 Å) and one longer (2.74 Å) Yb–B bond lengths. In the second Yb2+ site, Yb2+ is bonded in a 3-coordinate geometry to three B3- atoms. There are a spread of Yb–B bond distances ranging from 2.71–2.83 Å. There are ten inequivalent Ni+1.10+ sites. In the first Ni+1.10+ site, Ni+1.10+ is bonded in a trigonal non-coplanar geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 1.95–2.04 Å. In the second Ni+1.10+ site, Ni+1.10+ is bonded in a 3-coordinate geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.01–2.11 Å. In the third Ni+1.10+ site, Ni+1.10+ is bonded in a 2-coordinate geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.04–2.09 Å. In the fourth Ni+1.10+ site, Ni+1.10+ is bonded in a distorted trigonal non-coplanar geometry to three B3- atoms. There are two shorter (2.02 Å) and one longer (2.05 Å) Ni–B bond lengths. In the fifth Ni+1.10+ site, Ni+1.10+ is bonded in a distorted trigonal non-coplanar geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 1.91–2.17 Å. In the sixth Ni+1.10+ site, Ni+1.10+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.12 Å. In the seventh Ni+1.10+ site, Ni+1.10+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ni–B bond distances ranging from 2.04–2.08 Å. In the eighth Ni+1.10+ site, Ni+1.10+ is bonded in a distorted trigonal non-coplanar geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.00–2.08 Å. In the ninth Ni+1.10+ site, Ni+1.10+ is bonded in a 2-coordinate geometry to three B3- atoms. There are two shorter (2.03 Å) and one longer (2.12 Å) Ni–B bond lengths. In the tenth Ni+1.10+ site, Ni+1.10+ is bonded in a bent 150 degrees geometry to two B3- atoms. There are one shorter (2.00 Å) and one longer (2.19 Å) Ni–B bond lengths. There are five inequivalent B3- sites. In the first B3- site, B3- is bonded in a 7-coordinate geometry to six Ni+1.10+ and one B3- atom. The B–B bond length is 1.71 Å. In the second B3- site, B3- is bonded in a 8-coordinate geometry to one Yb2+, six Ni+1.10+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Yb2+, six Ni+1.10+, and one B3- atom. The B–B bond length is 1.89 Å. In the fourth B3- site, B3- is bonded in a 7-coordinate geometry to seven Ni+1.10+ atoms. In the fifth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Yb2+, six Ni+1.10+, and one B3- atom.},
doi = {10.17188/1727105},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}