U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er13Zn58 by Materials Project
Abstract
Er13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 2.86–3.47 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.03–3.28 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 2.95–3.22 Å. In the fourth Er site, Er is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.00–3.20 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.51–2.63 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Er and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–2.97 Å. In the third Znmore »
- Publication Date:
- Other Number(s):
- mp-1203997
- 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-Zn; Er13Zn58; crystal structure
- OSTI Identifier:
- 1700712
- DOI:
- https://doi.org/10.17188/1700712
Citation Formats
Materials Data on Er13Zn58 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700712.
Materials Data on Er13Zn58 by Materials Project. United States. doi:https://doi.org/10.17188/1700712
2019.
"Materials Data on Er13Zn58 by Materials Project". United States. doi:https://doi.org/10.17188/1700712. https://www.osti.gov/servlets/purl/1700712. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1700712,
title = {Materials Data on Er13Zn58 by Materials Project},
abstractNote = {Er13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 2.86–3.47 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.03–3.28 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 2.95–3.22 Å. In the fourth Er site, Er is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.00–3.20 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.51–2.63 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Er and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.55–2.97 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four Er and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.67 Å. In the fourth Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form face-sharing ZnEr2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–2.71 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Er and six Zn atoms. There are five shorter (2.58 Å) and one longer (2.72 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Er and six Zn atoms. There are two shorter (2.56 Å) and two longer (2.86 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 2-coordinate geometry to three Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–3.01 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Er and five Zn atoms. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Er and seven Zn atoms. There are one shorter (2.60 Å) and two longer (2.79 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Er and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Er and nine Zn atoms to form face-sharing ZnEr3Zn9 cuboctahedra.},
doi = {10.17188/1700712},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}