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

Title: Materials Data on AgSb(S8F3)2 by Materials Project

Abstract

AgSb(S8F3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two AgSb(S8F3)2 ribbons oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 6-coordinate geometry to four S and two equivalent F1- atoms. There are two shorter (2.73 Å) and two longer (2.81 Å) Ag–S bond lengths. Both Ag–F bond lengths are 3.19 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are eight inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In themore » fifth S site, S is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S atoms. The S–S bond length is 2.08 Å. In the sixth S site, S is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S atoms. The S–S bond length is 2.07 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. In the eighth S site, S is bonded in a water-like geometry to two S atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-559602
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; AgSb(S8F3)2; Ag-F-S-Sb
OSTI Identifier:
1270940
DOI:
https://doi.org/10.17188/1270940

Citation Formats

The Materials Project. Materials Data on AgSb(S8F3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270940.
The Materials Project. Materials Data on AgSb(S8F3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1270940
The Materials Project. 2020. "Materials Data on AgSb(S8F3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1270940. https://www.osti.gov/servlets/purl/1270940. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1270940,
title = {Materials Data on AgSb(S8F3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgSb(S8F3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two AgSb(S8F3)2 ribbons oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 6-coordinate geometry to four S and two equivalent F1- atoms. There are two shorter (2.73 Å) and two longer (2.81 Å) Ag–S bond lengths. Both Ag–F bond lengths are 3.19 Å. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.92 Å) and two longer (1.93 Å) Sb–F bond length. There are eight inequivalent S sites. In the first S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the second S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the third S site, S is bonded in a water-like geometry to two S atoms. The S–S bond length is 2.05 Å. In the fourth S site, S is bonded in a water-like geometry to two S atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) S–S bond lengths. In the fifth S site, S is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S atoms. The S–S bond length is 2.08 Å. In the sixth S site, S is bonded in a trigonal non-coplanar geometry to one Ag1+ and two S atoms. The S–S bond length is 2.07 Å. In the seventh S site, S is bonded in a water-like geometry to two S atoms. In the eighth S site, S is bonded in a water-like geometry to two S atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ag1+ and one Sb5+ atom.},
doi = {10.17188/1270940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}