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

Title: Materials Data on Sb6O5F8 by Materials Project

Abstract

SbF3(SbOF)5 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SbF3 ribbon oriented in the (1, 0, 0) direction and one SbOF ribbon oriented in the (1, 0, 0) direction. In the SbF3 ribbon, Sb3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.92–2.23 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb3+ atoms. In the SbOF ribbon, there are five inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.23 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to two O2- and one F1- atom. There are one shorter (1.97 Å) and one longer (2.04 Å) Sb–O bond lengths. The Sb–F bond lengthmore » is 1.96 Å. In the third Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The Sb–O bond length is 1.99 Å. There is one shorter (1.94 Å) and one longer (1.98 Å) Sb–F bond length. In the fourth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 2.03–2.24 Å. The Sb–F bond length is 1.97 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to two O2- and one F1- atom. There is one shorter (1.99 Å) and one longer (2.00 Å) Sb–O bond length. The Sb–F bond length is 1.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-753233
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sb6O5F8; F-O-Sb
OSTI Identifier:
1288956
DOI:
https://doi.org/10.17188/1288956

Citation Formats

The Materials Project. Materials Data on Sb6O5F8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288956.
The Materials Project. Materials Data on Sb6O5F8 by Materials Project. United States. doi:https://doi.org/10.17188/1288956
The Materials Project. 2020. "Materials Data on Sb6O5F8 by Materials Project". United States. doi:https://doi.org/10.17188/1288956. https://www.osti.gov/servlets/purl/1288956. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288956,
title = {Materials Data on Sb6O5F8 by Materials Project},
author = {The Materials Project},
abstractNote = {SbF3(SbOF)5 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SbF3 ribbon oriented in the (1, 0, 0) direction and one SbOF ribbon oriented in the (1, 0, 0) direction. In the SbF3 ribbon, Sb3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.92–2.23 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb3+ atoms. In the SbOF ribbon, there are five inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.23 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to two O2- and one F1- atom. There are one shorter (1.97 Å) and one longer (2.04 Å) Sb–O bond lengths. The Sb–F bond length is 1.96 Å. In the third Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The Sb–O bond length is 1.99 Å. There is one shorter (1.94 Å) and one longer (1.98 Å) Sb–F bond length. In the fourth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Sb–O bond distances ranging from 2.03–2.24 Å. The Sb–F bond length is 1.97 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to two O2- and one F1- atom. There is one shorter (1.99 Å) and one longer (2.00 Å) Sb–O bond length. The Sb–F bond length is 1.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1288956},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}