U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb3Ni11Ge4 by Materials Project
Abstract
Tb3Ni11Ge4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to ten Ni and five Ge atoms. There are a spread of Tb–Ni bond distances ranging from 2.91–3.02 Å. There are one shorter (2.82 Å) and four longer (3.10 Å) Tb–Ge bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, six Ni, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.82 Å. There are two shorter (2.60 Å) and one longer (2.64 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Tb, eight Ni, and two equivalent Ge atoms. There are two shorter (2.52 Å) and two longer (2.55 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.35 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, six Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to threemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208582
- 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; Tb3Ni11Ge4; Ge-Ni-Tb
- OSTI Identifier:
- 1674565
- DOI:
- https://doi.org/10.17188/1674565
Citation Formats
The Materials Project. Materials Data on Tb3Ni11Ge4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674565.
The Materials Project. Materials Data on Tb3Ni11Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1674565
The Materials Project. 2019.
"Materials Data on Tb3Ni11Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1674565. https://www.osti.gov/servlets/purl/1674565. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1674565,
title = {Materials Data on Tb3Ni11Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3Ni11Ge4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to ten Ni and five Ge atoms. There are a spread of Tb–Ni bond distances ranging from 2.91–3.02 Å. There are one shorter (2.82 Å) and four longer (3.10 Å) Tb–Ge bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, six Ni, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.82 Å. There are two shorter (2.60 Å) and one longer (2.64 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Tb, eight Ni, and two equivalent Ge atoms. There are two shorter (2.52 Å) and two longer (2.55 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.35 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, six Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.41 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Tb and eight Ni atoms to form a mixture of distorted corner and face-sharing GeTb4Ni8 cuboctahedra.},
doi = {10.17188/1674565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}