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Title: Materials Data on AgSbC6N4(OF3)2 by Materials Project

Abstract

Ag(CN)4(CO)2SbF6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight formaldehyde molecules, four Ag(CN)4 clusters, and four SbF6 clusters. In each Ag(CN)4 cluster, Ag1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.27 Å) and two longer (2.32 Å) Ag–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In each SbF6 cluster, Sb3- 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 three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry tomore » 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.« less

Publication Date:
Other Number(s):
mp-640564
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; AgSbC6N4(OF3)2; Ag-C-F-N-O-Sb
OSTI Identifier:
1279949
DOI:
https://doi.org/10.17188/1279949

Citation Formats

The Materials Project. Materials Data on AgSbC6N4(OF3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279949.
The Materials Project. Materials Data on AgSbC6N4(OF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1279949
The Materials Project. 2020. "Materials Data on AgSbC6N4(OF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1279949. https://www.osti.gov/servlets/purl/1279949. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1279949,
title = {Materials Data on AgSbC6N4(OF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag(CN)4(CO)2SbF6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight formaldehyde molecules, four Ag(CN)4 clusters, and four SbF6 clusters. In each Ag(CN)4 cluster, Ag1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.27 Å) and two longer (2.32 Å) Ag–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. In the second C4+ site, C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In each SbF6 cluster, Sb3- 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 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 single-bond geometry to one Sb3- atom.},
doi = {10.17188/1279949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}