Materials Data on CsAgBr2 by Materials Project
CsAgBr2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.67–4.07 Å. Ag1+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are one shorter (2.66 Å) and four longer (2.88 Å) Ag–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four equivalent Ag1+ atoms. In the second Br1- site, Br1- is bonded to five equivalent Cs1+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing BrCs5Ag octahedra. The corner-sharing octahedral tilt angles are 19°.
- 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:
- 1276091
- Report Number(s):
- mp-571100
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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