Materials Data on AgPdF6 by Materials Project
PdAgF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pd4+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with six AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There are a spread of Pd–F bond distances ranging from 1.93–1.98 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There are a spread of Ag–F bond distances ranging from 2.13–2.43 Å. In the second Ag2+ site, Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of Ag–F bond distances ranging from 2.15–2.45 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd4+ and one Ag2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Pd4+ and one Ag2+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ atom. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd4+ and one Ag2+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd4+ and one Ag2+ 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:
- 1205512
- Report Number(s):
- mp-31215
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on CsScAgF6 by Materials Project
Materials Data on LiAg2F5 by Materials Project