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Title: Materials Data on Ni8Ge2B3 by Materials Project

Abstract

Ni8B3Ge2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to one B and four equivalent Ge atoms. The Ni–B bond length is 2.32 Å. All Ni–Ge bond lengths are 2.44 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to four B and two equivalent Ge atoms. There are three shorter (2.09 Å) and one longer (2.39 Å) Ni–B bond lengths. Both Ni–Ge bond lengths are 2.50 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent B and two equivalent Ge atoms. Both Ni–B bond lengths are 2.09 Å. Both Ni–Ge bond lengths are 2.42 Å. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to three equivalent B and three equivalent Ge atoms. There are two shorter (2.16 Å) and one longer (2.22 Å) Ni–B bond lengths. There are one shorter (2.40 Å) and two longer (2.55 Å) Ni–Ge bond lengths. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to three B and one Ge atom. There are one shortermore » (2.05 Å) and two longer (2.07 Å) Ni–B bond lengths. The Ni–Ge bond length is 2.37 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to nine Ni atoms. In the second B site, B is bonded in a 9-coordinate geometry to seven Ni and two equivalent B atoms. Both B–B bond lengths are 1.81 Å. Ge is bonded in a 9-coordinate geometry to nine Ni atoms.« less

Publication Date:
Other Number(s):
mp-22703
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; Ni8Ge2B3; B-Ge-Ni
OSTI Identifier:
1198907
DOI:
10.17188/1198907

Citation Formats

The Materials Project. Materials Data on Ni8Ge2B3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198907.
The Materials Project. Materials Data on Ni8Ge2B3 by Materials Project. United States. doi:10.17188/1198907.
The Materials Project. 2020. "Materials Data on Ni8Ge2B3 by Materials Project". United States. doi:10.17188/1198907. https://www.osti.gov/servlets/purl/1198907. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198907,
title = {Materials Data on Ni8Ge2B3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni8B3Ge2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to one B and four equivalent Ge atoms. The Ni–B bond length is 2.32 Å. All Ni–Ge bond lengths are 2.44 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to four B and two equivalent Ge atoms. There are three shorter (2.09 Å) and one longer (2.39 Å) Ni–B bond lengths. Both Ni–Ge bond lengths are 2.50 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent B and two equivalent Ge atoms. Both Ni–B bond lengths are 2.09 Å. Both Ni–Ge bond lengths are 2.42 Å. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to three equivalent B and three equivalent Ge atoms. There are two shorter (2.16 Å) and one longer (2.22 Å) Ni–B bond lengths. There are one shorter (2.40 Å) and two longer (2.55 Å) Ni–Ge bond lengths. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to three B and one Ge atom. There are one shorter (2.05 Å) and two longer (2.07 Å) Ni–B bond lengths. The Ni–Ge bond length is 2.37 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to nine Ni atoms. In the second B site, B is bonded in a 9-coordinate geometry to seven Ni and two equivalent B atoms. Both B–B bond lengths are 1.81 Å. Ge is bonded in a 9-coordinate geometry to nine Ni atoms.},
doi = {10.17188/1198907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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