Materials Data on Pt3I8 by Materials Project
Pt3I8 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are two inequivalent Pt+2.67+ sites. In the first Pt+2.67+ site, Pt+2.67+ is bonded to six I1- atoms to form a mixture of edge and corner-sharing PtI6 octahedra. The corner-sharing octahedra tilt angles range from 4–12°. There are a spread of Pt–I bond distances ranging from 2.62–3.35 Å. In the second Pt+2.67+ site, Pt+2.67+ is bonded to six I1- atoms to form a mixture of edge and corner-sharing PtI6 octahedra. The corner-sharing octahedra tilt angles range from 4–12°. There are a spread of Pt–I bond distances ranging from 2.68–2.75 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two Pt+2.67+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three Pt+2.67+ atoms. In the third I1- site, I1- is bonded in a distorted linear geometry to two Pt+2.67+ atoms. In the fourth I1- site, I1- is bonded in a water-like geometry to two equivalent Pt+2.67+ 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:
- 1202447
- Report Number(s):
- mp-28320
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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