U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbMg2Cu9 by Materials Project
Abstract
TbCu9Mg2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Mg–Cu bond distances ranging from 2.89–2.94 Å. Tb is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.89 Å) and twelve longer (3.23 Å) Tb–Cu bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Mg and six equivalent Cu atoms to form CuMg6Cu6 cuboctahedra that share corners with twelve equivalent CuTb2Mg3Cu7 cuboctahedra, edges with six equivalent CuMg6Cu6 cuboctahedra, and faces with eighteen equivalent CuTb2Mg3Cu7 cuboctahedra. All Cu–Cu bond lengths are 2.47 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. There are six shorter (2.51 Å) and three longer (2.89 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. All Cu–Cu bond lengths are 2.50 Å. In the fourth Cu site, Cu is bonded to three equivalent Mg, two equivalent Tb, and seven Cu atoms to form CuTb2Mg3Cu7more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-542933
- 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; TbMg2Cu9; Cu-Mg-Tb
- OSTI Identifier:
- 1266795
- DOI:
- https://doi.org/10.17188/1266795
Citation Formats
The Materials Project. Materials Data on TbMg2Cu9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266795.
The Materials Project. Materials Data on TbMg2Cu9 by Materials Project. United States. doi:https://doi.org/10.17188/1266795
The Materials Project. 2020.
"Materials Data on TbMg2Cu9 by Materials Project". United States. doi:https://doi.org/10.17188/1266795. https://www.osti.gov/servlets/purl/1266795. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266795,
title = {Materials Data on TbMg2Cu9 by Materials Project},
author = {The Materials Project},
abstractNote = {TbCu9Mg2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Mg–Cu bond distances ranging from 2.89–2.94 Å. Tb is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.89 Å) and twelve longer (3.23 Å) Tb–Cu bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six equivalent Mg and six equivalent Cu atoms to form CuMg6Cu6 cuboctahedra that share corners with twelve equivalent CuTb2Mg3Cu7 cuboctahedra, edges with six equivalent CuMg6Cu6 cuboctahedra, and faces with eighteen equivalent CuTb2Mg3Cu7 cuboctahedra. All Cu–Cu bond lengths are 2.47 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. There are six shorter (2.51 Å) and three longer (2.89 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. All Cu–Cu bond lengths are 2.50 Å. In the fourth Cu site, Cu is bonded to three equivalent Mg, two equivalent Tb, and seven Cu atoms to form CuTb2Mg3Cu7 cuboctahedra that share corners with seventeen CuTb2Mg3Cu7 cuboctahedra, edges with eight equivalent CuTb2Mg3Cu7 cuboctahedra, and faces with fourteen CuMg6Cu6 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.52 Å) Cu–Cu bond lengths.},
doi = {10.17188/1266795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}