Materials Data on Cs5Ag4C8IN8 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1283825
- Report Number(s):
- mp-683972
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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