Materials Data on ScPRu by Materials Project
ScRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.91 Å) and four longer (2.97 Å) Sc–Ru bond lengths. There are four shorter (2.69 Å) and one longer (2.70 Å) Sc–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Sc, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.78 Å. There are two shorter (2.43 Å) and two longer (2.53 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Ru 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:
- 1191766
- Report Number(s):
- mp-16305
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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