U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb23Mg4Cu7 by Materials Project
Abstract
Yb23Cu7Mg4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Yb atoms to form corner-sharing MgYb12 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.72 Å) Mg–Yb bond lengths. In the second Mg site, Mg is bonded to two equivalent Mg and ten Yb atoms to form MgYb10Mg2 cuboctahedra that share corners with four MgYb12 cuboctahedra and faces with two equivalent MgYb10Mg2 cuboctahedra. Both Mg–Mg bond lengths are 3.13 Å. There are a spread of Mg–Yb bond distances ranging from 3.48–3.64 Å. There are five inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to one Mg and four equivalent Cu atoms. There are two shorter (2.98 Å) and two longer (2.99 Å) Yb–Cu bond lengths. In the second Yb site, Yb is bonded in a distorted bent 150 degrees geometry to two equivalent Mg, two equivalent Yb, and two Cu atoms. Both Yb–Yb bond lengths are 3.69 Å. There are one shorter (2.93 Å) and one longer (2.94 Å) Yb–Cu bond lengths. In the third Yb site, Yb is bonded in a 4-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-645504
- 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; Yb23Mg4Cu7; Cu-Mg-Yb
- OSTI Identifier:
- 1280550
- DOI:
- https://doi.org/10.17188/1280550
Citation Formats
The Materials Project. Materials Data on Yb23Mg4Cu7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280550.
The Materials Project. Materials Data on Yb23Mg4Cu7 by Materials Project. United States. doi:https://doi.org/10.17188/1280550
The Materials Project. 2020.
"Materials Data on Yb23Mg4Cu7 by Materials Project". United States. doi:https://doi.org/10.17188/1280550. https://www.osti.gov/servlets/purl/1280550. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280550,
title = {Materials Data on Yb23Mg4Cu7 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb23Cu7Mg4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Yb atoms to form corner-sharing MgYb12 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.72 Å) Mg–Yb bond lengths. In the second Mg site, Mg is bonded to two equivalent Mg and ten Yb atoms to form MgYb10Mg2 cuboctahedra that share corners with four MgYb12 cuboctahedra and faces with two equivalent MgYb10Mg2 cuboctahedra. Both Mg–Mg bond lengths are 3.13 Å. There are a spread of Mg–Yb bond distances ranging from 3.48–3.64 Å. There are five inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to one Mg and four equivalent Cu atoms. There are two shorter (2.98 Å) and two longer (2.99 Å) Yb–Cu bond lengths. In the second Yb site, Yb is bonded in a distorted bent 150 degrees geometry to two equivalent Mg, two equivalent Yb, and two Cu atoms. Both Yb–Yb bond lengths are 3.69 Å. There are one shorter (2.93 Å) and one longer (2.94 Å) Yb–Cu bond lengths. In the third Yb site, Yb is bonded in a 4-coordinate geometry to two Mg, two equivalent Yb, and two equivalent Cu atoms. Both Yb–Yb bond lengths are 3.82 Å. Both Yb–Cu bond lengths are 3.50 Å. In the fourth Yb site, Yb is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Cu atoms. All Yb–Cu bond lengths are 2.89 Å. In the fifth Yb site, Yb is bonded in a distorted T-shaped geometry to two equivalent Mg, ten Yb, and one Cu atom. Both Yb–Yb bond lengths are 3.81 Å. The Yb–Cu bond length is 3.62 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to eight Yb and one Cu atom. The Cu–Cu bond length is 2.51 Å. In the second Cu site, Cu is bonded in a 6-coordinate geometry to nine Yb atoms.},
doi = {10.17188/1280550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}