U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er6Zn23Ge by Materials Project
Abstract
Er6Zn23Ge crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted single-bond geometry to twelve Zn and one Ge atom. There are a spread of Er–Zn bond distances ranging from 3.04–3.22 Å. The Er–Ge bond length is 2.75 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form ZnEr4Zn8 cuboctahedra that share corners with four equivalent ZnEr4Zn8 cuboctahedra, edges with two equivalent GeEr6 octahedra, and faces with eight equivalent ZnEr4Zn8 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.77 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are three shorter (2.74 Å) and three longer (2.94 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Er and seven Zn atoms. Ge is bonded to six equivalent Er atoms to form GeEr6 octahedra that sharemore »
- Publication Date:
- Other Number(s):
- mp-1192426
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Er-Ge-Zn; Er6Zn23Ge; crystal structure
- OSTI Identifier:
- 1685397
- DOI:
- https://doi.org/10.17188/1685397
Citation Formats
Materials Data on Er6Zn23Ge by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1685397.
Materials Data on Er6Zn23Ge by Materials Project. United States. doi:https://doi.org/10.17188/1685397
2019.
"Materials Data on Er6Zn23Ge by Materials Project". United States. doi:https://doi.org/10.17188/1685397. https://www.osti.gov/servlets/purl/1685397. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1685397,
title = {Materials Data on Er6Zn23Ge by Materials Project},
abstractNote = {Er6Zn23Ge crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted single-bond geometry to twelve Zn and one Ge atom. There are a spread of Er–Zn bond distances ranging from 3.04–3.22 Å. The Er–Ge bond length is 2.75 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form ZnEr4Zn8 cuboctahedra that share corners with four equivalent ZnEr4Zn8 cuboctahedra, edges with two equivalent GeEr6 octahedra, and faces with eight equivalent ZnEr4Zn8 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.77 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are three shorter (2.74 Å) and three longer (2.94 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Er and seven Zn atoms. Ge is bonded to six equivalent Er atoms to form GeEr6 octahedra that share edges with twelve equivalent ZnEr4Zn8 cuboctahedra.},
doi = {10.17188/1685397},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}