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Title: Materials Data on Sb2(AuF6)3 by Materials Project

Abstract

Sb2(AuF6)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sb2(AuF6)3 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Au4+ sites. In the first Au4+ site, Au4+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Au–F bond lengths. In the second Au4+ site, Au4+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.92–2.03 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Au4+ and 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 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 bondedmore » in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Au4+ atom. In the seventh F1- site, F1- is bonded in a bent 120 degrees geometry to two Au4+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Au4+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-30109
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; Sb2(AuF6)3; Au-F-Sb
OSTI Identifier:
1204534
DOI:
https://doi.org/10.17188/1204534

Citation Formats

The Materials Project. Materials Data on Sb2(AuF6)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204534.
The Materials Project. Materials Data on Sb2(AuF6)3 by Materials Project. United States. doi:https://doi.org/10.17188/1204534
The Materials Project. 2020. "Materials Data on Sb2(AuF6)3 by Materials Project". United States. doi:https://doi.org/10.17188/1204534. https://www.osti.gov/servlets/purl/1204534. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204534,
title = {Materials Data on Sb2(AuF6)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb2(AuF6)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sb2(AuF6)3 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Au4+ sites. In the first Au4+ site, Au4+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Au–F bond lengths. In the second Au4+ site, Au4+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.92–2.03 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Au4+ and 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 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. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Au4+ atom. In the seventh F1- site, F1- is bonded in a bent 120 degrees geometry to two Au4+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Au4+ atoms. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1204534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}