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Title: Materials Data on Cs5Ag4C8IN8 by Materials Project

Abstract

Cs5Ag4C8N8I crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to six N3- and one I1- atom. There are a spread of Cs–N bond distances ranging from 3.15–3.61 Å. The Cs–I bond length is 3.86 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (3.21 Å) and four longer (3.28 Å) Cs–N bond lengths. Ag1+ is bonded in a distorted linear geometry to two C2+ and one I1- atom. There are one shorter (2.06 Å) and one longer (2.07 Å) Ag–C bond lengths. The Ag–I bond length is 3.69 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry tomore » four Cs1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four Cs1+ and one C2+ atom. I1- is bonded in a distorted hexagonal bipyramidal geometry to four equivalent Cs1+ and four equivalent Ag1+ atoms.« less

Publication Date:
Other Number(s):
mp-683972
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; Cs5Ag4C8IN8; Ag-C-Cs-I-N
OSTI Identifier:
1283825
DOI:
https://doi.org/10.17188/1283825

Citation Formats

The Materials Project. Materials Data on Cs5Ag4C8IN8 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1283825.
The Materials Project. Materials Data on Cs5Ag4C8IN8 by Materials Project. United States. doi:https://doi.org/10.17188/1283825
The Materials Project. 2014. "Materials Data on Cs5Ag4C8IN8 by Materials Project". United States. doi:https://doi.org/10.17188/1283825. https://www.osti.gov/servlets/purl/1283825. Pub date:Tue Sep 23 00:00:00 EDT 2014
@article{osti_1283825,
title = {Materials Data on Cs5Ag4C8IN8 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs5Ag4C8N8I crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to six N3- and one I1- atom. There are a spread of Cs–N bond distances ranging from 3.15–3.61 Å. The Cs–I bond length is 3.86 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (3.21 Å) and four longer (3.28 Å) Cs–N bond lengths. Ag1+ is bonded in a distorted linear geometry to two C2+ and one I1- atom. There are one shorter (2.06 Å) and one longer (2.07 Å) Ag–C bond lengths. The Ag–I bond length is 3.69 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a linear geometry to one Ag1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to four Cs1+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four Cs1+ and one C2+ atom. I1- is bonded in a distorted hexagonal bipyramidal geometry to four equivalent Cs1+ and four equivalent Ag1+ atoms.},
doi = {10.17188/1283825},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {9}
}