Materials Data on Ba2SrI6 by Materials Project
Ba2SrI6 is beta Vanadium nitride-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent I1- atoms to form distorted BaI6 octahedra that share corners with three equivalent SrI6 octahedra, edges with three equivalent BaI6 octahedra, and a faceface with one SrI6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (3.50 Å) and three longer (3.56 Å) Ba–I bond lengths. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with six equivalent BaI6 octahedra and faces with two equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Sr–I bond lengths are 3.30 Å. I1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sr2+ atom.
- 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:
- 1288597
- Report Number(s):
- mp-752450
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Ba2SrI6 by Materials Project
Materials Data on Ba2SrI6 by Materials Project