skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsSb2F11 by Materials Project

Abstract

CsSb2F11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.13–3.65 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–F bond distances ranging from 1.90–2.09 Å. In the second Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the fifth F1-more » site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556061
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; CsSb2F11; Cs-F-Sb
OSTI Identifier:
1269147
DOI:
10.17188/1269147

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsSb2F11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269147.
Persson, Kristin, & Project, Materials. Materials Data on CsSb2F11 by Materials Project. United States. doi:10.17188/1269147.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CsSb2F11 by Materials Project". United States. doi:10.17188/1269147. https://www.osti.gov/servlets/purl/1269147. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269147,
title = {Materials Data on CsSb2F11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CsSb2F11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.13–3.65 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–F bond distances ranging from 1.90–2.09 Å. In the second Sb5+ site, Sb5+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Sb5+ atom. In the eleventh F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb5+ atom.},
doi = {10.17188/1269147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: