U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr11Sb18 by Materials Project
Abstract
Zr11Sb18 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are six inequivalent Zr+3.82+ sites. In the first Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.93–3.08 Å. In the second Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.85–3.27 Å. In the third Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are four shorter (2.96 Å) and four longer (3.04 Å) Zr–Sb bond lengths. In the fourth Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.83–3.42 Å. In the fifth Zr+3.82+ site, Zr+3.82+ is bonded in a 6-coordinate geometry to six Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.85–3.24 Å. In the sixth Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.87–3.18 Å. There are five inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33-more »
- Publication Date:
- Other Number(s):
- mp-542044
- 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; Sb-Zr; Zr11Sb18; crystal structure
- OSTI Identifier:
- 1266372
- DOI:
- https://doi.org/10.17188/1266372
Citation Formats
Materials Data on Zr11Sb18 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1266372.
Materials Data on Zr11Sb18 by Materials Project. United States. doi:https://doi.org/10.17188/1266372
2014.
"Materials Data on Zr11Sb18 by Materials Project". United States. doi:https://doi.org/10.17188/1266372. https://www.osti.gov/servlets/purl/1266372. Pub date:Tue Feb 25 23:00:00 EST 2014
@article{osti_1266372,
title = {Materials Data on Zr11Sb18 by Materials Project},
abstractNote = {Zr11Sb18 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are six inequivalent Zr+3.82+ sites. In the first Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.93–3.08 Å. In the second Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.85–3.27 Å. In the third Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are four shorter (2.96 Å) and four longer (3.04 Å) Zr–Sb bond lengths. In the fourth Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.83–3.42 Å. In the fifth Zr+3.82+ site, Zr+3.82+ is bonded in a 6-coordinate geometry to six Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.85–3.24 Å. In the sixth Zr+3.82+ site, Zr+3.82+ is bonded in a 8-coordinate geometry to eight Sb+2.33- atoms. There are a spread of Zr–Sb bond distances ranging from 2.87–3.18 Å. There are five inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 4-coordinate geometry to four Zr+3.82+ atoms. In the second Sb+2.33- site, Sb+2.33- is bonded in a 5-coordinate geometry to five Zr+3.82+ atoms. In the third Sb+2.33- site, Sb+2.33- is bonded in a 4-coordinate geometry to four Zr+3.82+ atoms. In the fourth Sb+2.33- site, Sb+2.33- is bonded in a 5-coordinate geometry to five Zr+3.82+ atoms. In the fifth Sb+2.33- site, Sb+2.33- is bonded in a 5-coordinate geometry to five Zr+3.82+ atoms.},
doi = {10.17188/1266372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}