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Title: Materials Data on Yb2(NiB2)3 by Materials Project

Abstract

Yb2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Yb3+ is bonded in a distorted q4 geometry to twelve B2- atoms. There are a spread of Yb–B bond distances ranging from 2.73–2.75 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.13 Å) and four longer (2.16 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.25 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Ni2+, and three B2- atoms. There is two shorter (1.71 Å) and one longer (1.74 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Yb3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.72 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-14344
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(NiB2)3; B-Ni-Yb
OSTI Identifier:
1190623
DOI:
10.17188/1190623

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb2(NiB2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190623.
Persson, Kristin, & Project, Materials. Materials Data on Yb2(NiB2)3 by Materials Project. United States. doi:10.17188/1190623.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Yb2(NiB2)3 by Materials Project". United States. doi:10.17188/1190623. https://www.osti.gov/servlets/purl/1190623. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1190623,
title = {Materials Data on Yb2(NiB2)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Yb3+ is bonded in a distorted q4 geometry to twelve B2- atoms. There are a spread of Yb–B bond distances ranging from 2.73–2.75 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 6-coordinate geometry to six B2- atoms. There are two shorter (2.13 Å) and four longer (2.16 Å) Ni–B bond lengths. In the second Ni2+ site, Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent B2- atoms. All Ni–B bond lengths are 2.25 Å. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Ni2+, and three B2- atoms. There is two shorter (1.71 Å) and one longer (1.74 Å) B–B bond length. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Yb3+, three Ni2+, and two B2- atoms. The B–B bond length is 1.72 Å.},
doi = {10.17188/1190623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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