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Title: Materials Data on Rb3TiF7 by Materials Project

Abstract

Rb3TiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.83–3.10 Å. In the second Rb1+ site, Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with four equivalent TiF6 octahedra and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 0–70°. There are two shorter (3.02 Å) and four longer (3.11 Å) Rb–F bond lengths. Ti4+ is bonded to six F1- atoms to form TiF6 octahedra that share corners with four equivalent RbF6 octahedra. The corner-sharing octahedral tilt angles are 70°. All Ti–F bond lengths are 1.89 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Ti4+ atom. In the second F1- site, F1- is bonded to six Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. In the third F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+more » and one Ti4+ atom.« less

Publication Date:
Other Number(s):
mp-12245
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; Rb3TiF7; F-Rb-Ti
OSTI Identifier:
1188667
DOI:
https://doi.org/10.17188/1188667

Citation Formats

The Materials Project. Materials Data on Rb3TiF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188667.
The Materials Project. Materials Data on Rb3TiF7 by Materials Project. United States. doi:https://doi.org/10.17188/1188667
The Materials Project. 2020. "Materials Data on Rb3TiF7 by Materials Project". United States. doi:https://doi.org/10.17188/1188667. https://www.osti.gov/servlets/purl/1188667. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1188667,
title = {Materials Data on Rb3TiF7 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3TiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Rb–F bond distances ranging from 2.83–3.10 Å. In the second Rb1+ site, Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with four equivalent TiF6 octahedra and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 0–70°. There are two shorter (3.02 Å) and four longer (3.11 Å) Rb–F bond lengths. Ti4+ is bonded to six F1- atoms to form TiF6 octahedra that share corners with four equivalent RbF6 octahedra. The corner-sharing octahedral tilt angles are 70°. All Ti–F bond lengths are 1.89 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Ti4+ atom. In the second F1- site, F1- is bonded to six Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. In the third F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one Ti4+ atom.},
doi = {10.17188/1188667},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}