Materials Data on Dy5P12Ru19 by Materials Project
Dy5Ru19P12 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to nine Ru and six equivalent P atoms. There are six shorter (3.13 Å) and three longer (3.15 Å) Dy–Ru bond lengths. All Dy–P bond lengths are 2.98 Å. In the second Dy site, Dy is bonded in a 2-coordinate geometry to ten Ru and six P atoms. There are a spread of Dy–Ru bond distances ranging from 3.05–3.37 Å. There are four shorter (3.05 Å) and two longer (3.10 Å) Dy–P bond lengths. There are five inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to three Dy, five Ru, and four P atoms. There are a spread of Ru–Ru bond distances ranging from 2.82–2.85 Å. There are a spread of Ru–P bond distances ranging from 2.37–2.41 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to three Dy, five Ru, and four P atoms. There are one shorter (2.74 Å) and two longer (2.88 Å) Ru–Ru bond lengths. There are a spread of Ru–P bond distances ranging from 2.30–2.52 Å. In the third Ru site, Ru is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent P atoms. All Ru–P bond lengths are 2.31 Å. In the fourth Ru site, Ru is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Ru, and four P atoms. There are two shorter (2.31 Å) and two longer (2.34 Å) Ru–P bond lengths. In the fifth Ru site, Ru is bonded in a distorted single-bond geometry to six Ru and five P atoms. There are one shorter (2.28 Å) and four longer (2.81 Å) Ru–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Ru atoms. In the third P site, P is bonded in a 9-coordinate geometry to four equivalent Dy and five 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:
- 1312694
- Report Number(s):
- mp-8760
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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