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Title: Materials Data on TiAgF6 by Materials Project

Abstract

TiAgF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one TiAgF6 ribbon oriented in the (1, 1, 1) direction. Ti4+ is bonded in a linear geometry to two equivalent F1- atoms. Both Ti–F bond lengths are 1.09 Å. Ag2+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.12–2.68 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ti4+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ atom.

Publication Date:
Other Number(s):
mp-10810
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TiAgF6; Ag-F-Ti
OSTI Identifier:
1187376
DOI:
https://doi.org/10.17188/1187376

Citation Formats

The Materials Project. Materials Data on TiAgF6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1187376.
The Materials Project. Materials Data on TiAgF6 by Materials Project. United States. doi:https://doi.org/10.17188/1187376
The Materials Project. 2018. "Materials Data on TiAgF6 by Materials Project". United States. doi:https://doi.org/10.17188/1187376. https://www.osti.gov/servlets/purl/1187376. Pub date:Wed Dec 19 00:00:00 EST 2018
@article{osti_1187376,
title = {Materials Data on TiAgF6 by Materials Project},
author = {The Materials Project},
abstractNote = {TiAgF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one TiAgF6 ribbon oriented in the (1, 1, 1) direction. Ti4+ is bonded in a linear geometry to two equivalent F1- atoms. Both Ti–F bond lengths are 1.09 Å. Ag2+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.12–2.68 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ti4+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ atom.},
doi = {10.17188/1187376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {12}
}