Materials Data on ZrSiRu by Materials Project
ZrRuSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr2+ is bonded to five Si4- atoms to form distorted ZrSi5 square pyramids that share corners with ten equivalent ZrSi5 square pyramids, corners with six equivalent RuSi4 tetrahedra, edges with six equivalent ZrSi5 square pyramids, and edges with six equivalent RuSi4 tetrahedra. There are four shorter (2.75 Å) and one longer (2.79 Å) Zr–Si bond lengths. Ru2+ is bonded to four Si4- atoms to form RuSi4 tetrahedra that share corners with six equivalent ZrSi5 square pyramids, corners with ten equivalent RuSi4 tetrahedra, edges with six equivalent ZrSi5 square pyramids, and edges with two equivalent RuSi4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.59 Å) Ru–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Zr2+ and six equivalent Ru2+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Zr2+ and three equivalent Ru2+ 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:
- 1289411
- Report Number(s):
- mp-7544
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on TiSiRu by Materials Project
Materials Data on NbSiRu by Materials Project