U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ni21(GeB3)2 by Materials Project
Abstract
Ni21(B3Ge)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. The Ni–Ni bond length is 2.49 Å. Both Ni–B bond lengths are 2.07 Å. In the second Ni site, Ni is bonded to three equivalent B and one Ge atom to form a mixture of distorted corner and edge-sharing NiGeB3 tetrahedra. All Ni–B bond lengths are 2.09 Å. The Ni–Ge bond length is 2.38 Å. In the third Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms. Ge is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209988
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ni21(GeB3)2; B-Ge-Ni
- OSTI Identifier:
- 1680106
- DOI:
- https://doi.org/10.17188/1680106
Citation Formats
The Materials Project. Materials Data on Ni21(GeB3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680106.
The Materials Project. Materials Data on Ni21(GeB3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680106
The Materials Project. 2020.
"Materials Data on Ni21(GeB3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680106. https://www.osti.gov/servlets/purl/1680106. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680106,
title = {Materials Data on Ni21(GeB3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni21(B3Ge)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. The Ni–Ni bond length is 2.49 Å. Both Ni–B bond lengths are 2.07 Å. In the second Ni site, Ni is bonded to three equivalent B and one Ge atom to form a mixture of distorted corner and edge-sharing NiGeB3 tetrahedra. All Ni–B bond lengths are 2.09 Å. The Ni–Ge bond length is 2.38 Å. In the third Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms. Ge is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms.},
doi = {10.17188/1680106},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}