Materials Data on CsAgCl2 by Materials Project
CsAgCl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.70 Å. Ag1+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing AgCl5 trigonal bipyramids. There are a spread of Ag–Cl bond distances ranging from 2.56–2.92 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Cs1+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing ClCs2Ag4 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ag1+ atom.
- 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:
- 1266716
- Report Number(s):
- mp-542772
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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