U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce3HfSb5 by Materials Project
Abstract
Ce3HfSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine Sb+2.60- atoms. There are a spread of Ce–Sb bond distances ranging from 3.21–3.34 Å. Hf4+ is bonded to six equivalent Sb+2.60- atoms to form face-sharing HfSb6 octahedra. All Hf–Sb bond lengths are 2.97 Å. There are two inequivalent Sb+2.60- sites. In the first Sb+2.60- site, Sb+2.60- is bonded to five equivalent Ce3+ and two equivalent Hf4+ atoms to form a mixture of distorted corner, edge, and face-sharing SbCe5Hf2 pentagonal bipyramids. In the second Sb+2.60- site, Sb+2.60- is bonded in a 8-coordinate geometry to six equivalent Ce3+ and two equivalent Sb+2.60- atoms. Both Sb–Sb bond lengths are 3.16 Å.
- Publication Date:
- Other Number(s):
- mp-1213881
- 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; Ce-Hf-Sb; Ce3HfSb5; crystal structure
- OSTI Identifier:
- 1680859
- DOI:
- https://doi.org/10.17188/1680859
Citation Formats
Materials Data on Ce3HfSb5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680859.
Materials Data on Ce3HfSb5 by Materials Project. United States. doi:https://doi.org/10.17188/1680859
2020.
"Materials Data on Ce3HfSb5 by Materials Project". United States. doi:https://doi.org/10.17188/1680859. https://www.osti.gov/servlets/purl/1680859. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680859,
title = {Materials Data on Ce3HfSb5 by Materials Project},
abstractNote = {Ce3HfSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine Sb+2.60- atoms. There are a spread of Ce–Sb bond distances ranging from 3.21–3.34 Å. Hf4+ is bonded to six equivalent Sb+2.60- atoms to form face-sharing HfSb6 octahedra. All Hf–Sb bond lengths are 2.97 Å. There are two inequivalent Sb+2.60- sites. In the first Sb+2.60- site, Sb+2.60- is bonded to five equivalent Ce3+ and two equivalent Hf4+ atoms to form a mixture of distorted corner, edge, and face-sharing SbCe5Hf2 pentagonal bipyramids. In the second Sb+2.60- site, Sb+2.60- is bonded in a 8-coordinate geometry to six equivalent Ce3+ and two equivalent Sb+2.60- atoms. Both Sb–Sb bond lengths are 3.16 Å.},
doi = {10.17188/1680859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}