Materials Data on Y6RuI10 by Materials Project
Y6RuI10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to one Ru and five I atoms to form a mixture of distorted edge and corner-sharing YRuI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Ru bond length is 2.68 Å. There are a spread of Y–I bond distances ranging from 3.11–3.37 Å. In the second Y site, Y is bonded to one Ru and five I atoms to form a mixture of distorted edge and corner-sharing YRuI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The Y–Ru bond length is 2.68 Å. There are a spread of Y–I bond distances ranging from 3.06–3.41 Å. In the third Y site, Y is bonded to one Ru and five I atoms to form a mixture of edge and corner-sharing YRuI5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Y–Ru bond length is 2.78 Å. There are a spread of Y–I bond distances ranging from 3.03–3.31 Å. Ru is bonded in an octahedral geometry to six Y atoms. There are five inequivalent I sites. In the first I site, I is bonded in a distorted L-shaped geometry to two Y atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Y atoms. In the third I site, I is bonded in a distorted T-shaped geometry to three Y atoms. In the fourth I site, I is bonded in a distorted see-saw-like geometry to four Y atoms. In the fifth I site, I is bonded in a 3-coordinate geometry to three Y 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:
- 1202942
- Report Number(s):
- mp-28862
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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