Materials Data on AgIO3 by Materials Project
AgIO3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AgIO3 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded to three equivalent Ag1+ and one I5+ atom to form a mixture of distorted edge and corner-sharing OAg3I tetrahedra. The O–I bond length is 1.86 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.
- 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:
- 1720137
- Report Number(s):
- mp-1202188
- Country of Publication:
- United States
- Language:
- English
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