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Title: Materials Data on AgSb2F12 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1190827· OSTI ID:1190827

Ag(SbF6)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ag(SbF6)2 sheet oriented in the (0, 0, 1) direction. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent SbF6 octahedra. The corner-sharing octahedra tilt angles range from 32–45°. There are a spread of Ag–F bond distances ranging from 2.16–2.56 Å. Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with three equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 32–45°. There are a spread of Sb–F bond distances ranging from 1.88–2.02 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ 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:
1190827
Report Number(s):
mp-14653
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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