Materials Data on CsDyI3 by Materials Project
CsDyI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Cs–I bond distances ranging from 3.92–4.42 Å. Dy is bonded to six I atoms to form corner-sharing DyI6 octahedra. The corner-sharing octahedra tilt angles range from 12–18°. All Dy–I bond lengths are 3.06 Å. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Cs and two equivalent Dy atoms. In the second I site, I is bonded to three equivalent Cs and two equivalent Dy atoms to form a mixture of distorted edge and corner-sharing ICs3Dy2 square pyramids.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1262529
- Report Number(s):
- mp-505418
- Country of Publication:
- United States
- Language:
- English
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