U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2Au5F21 by Materials Project
Abstract
Sm2Au5F21 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.26–2.56 Å. There are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. In the second Au3+ site, Au3+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.96–1.98 Å. In the third Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sm3+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to one Sm3+ and one Au3+ atom. In themore »
- Publication Date:
- Other Number(s):
- mp-8778
- 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; Au-F-Sm; Sm2Au5F21; crystal structure
- OSTI Identifier:
- 1312707
- DOI:
- https://doi.org/10.17188/1312707
Citation Formats
Materials Data on Sm2Au5F21 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312707.
Materials Data on Sm2Au5F21 by Materials Project. United States. doi:https://doi.org/10.17188/1312707
2020.
"Materials Data on Sm2Au5F21 by Materials Project". United States. doi:https://doi.org/10.17188/1312707. https://www.osti.gov/servlets/purl/1312707. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1312707,
title = {Materials Data on Sm2Au5F21 by Materials Project},
abstractNote = {Sm2Au5F21 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.26–2.56 Å. There are three inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. In the second Au3+ site, Au3+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.96–1.98 Å. In the third Au3+ site, Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sm3+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to one Sm3+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the ninth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Au3+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom.},
doi = {10.17188/1312707},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}