Materials Data on Ce3Ge5Pd14 by Materials Project
Ce3Pd14Ge5 is beta Plutonium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to fourteen Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.99–3.50 Å. In the second Ce site, Ce is bonded in a 9-coordinate geometry to ten Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.96–3.49 Å. In the third Ce site, Ce is bonded in a 10-coordinate geometry to eleven Pd atoms. There are a spread of Ce–Pd bond distances ranging from 3.00–3.51 Å. There are nine inequivalent Pd sites. In the first Pd site, Pd is bonded in a 11-coordinate geometry to four Ce, one Pd, and three Ge atoms. The Pd–Pd bond length is 2.98 Å. There are a spread of Pd–Ge bond distances ranging from 2.61–2.66 Å. In the second Pd site, Pd is bonded in a 5-coordinate geometry to two Ce, three Pd, and three Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.90–2.94 Å. There are a spread of Pd–Ge bond distances ranging from 2.44–2.58 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, seven Pd, and two equivalent Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–2.98 Å. Both Pd–Ge bond lengths are 2.55 Å. In the fourth Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, six Pd, and three Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.77–2.94 Å. There are a spread of Pd–Ge bond distances ranging from 2.55–2.92 Å. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to two equivalent Ce, eight Pd, and two Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.76–3.08 Å. There are one shorter (2.71 Å) and one longer (2.72 Å) Pd–Ge bond lengths. In the sixth Pd site, Pd is bonded in a 12-coordinate geometry to three Ce, seven Pd, and two equivalent Ge atoms. Both Pd–Pd bond lengths are 2.89 Å. Both Pd–Ge bond lengths are 2.50 Å. In the seventh Pd site, Pd is bonded in a 4-coordinate geometry to two Ce, six Pd, and three Ge atoms. The Pd–Pd bond length is 3.03 Å. There are a spread of Pd–Ge bond distances ranging from 2.45–2.68 Å. In the eighth Pd site, Pd is bonded in a 4-coordinate geometry to one Ce, three Pd, and three Ge atoms. The Pd–Pd bond length is 3.03 Å. There are one shorter (2.54 Å) and two longer (2.61 Å) Pd–Ge bond lengths. In the ninth Pd site, Pd is bonded in a 3-coordinate geometry to two Ce, seven Pd, and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.50–2.91 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to eight Pd atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to seven Pd atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to eight Pd 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:
- 1283558
- Report Number(s):
- mp-680221
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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