Materials Data on YbAu2F9 by Materials Project
YbAu2F9 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Yb–F bond distances ranging from 2.19–2.42 Å. In the second Yb3+ site, Yb3+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Yb–F bond distances ranging from 2.20–2.40 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 is two shorter (1.94 Å) and two longer (1.95 Å) Au–F bond length. In the second Au3+ site, Au3+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.93–1.96 Å. In the third 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 1.94–1.96 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Yb3+ and one Au3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Yb3+ and one Au3+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one Au3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Yb3+ and one Au3+ atom. In the eighth F1- site, F1- is bonded in a linear geometry to two Yb3+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to one Yb3+ and one Au3+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to one Yb3+ and one Au3+ atom. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Yb3+ and one Au3+ atom. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to one Yb3+ and one Au3+ atom. In the thirteenth F1- site, F1- is bonded in a linear geometry to two equivalent Yb3+ atoms. In the fourteenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Au3+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1272246
- Report Number(s):
- mp-561845
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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