Materials Data on Tl2Pt2O7 by Materials Project
Tl2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pt–O bond lengths are 2.02 Å. Tl1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.24 Å) and six longer (2.50 Å) Tl–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pt6+ and two equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing OTl2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tl1+ atoms to form OTl4 tetrahedra that share corners with sixteen OTl4 tetrahedra and edges with six equivalent OTl2Pt2 tetrahedra.
- 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:
- 1189759
- Report Number(s):
- mp-13801
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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