Materials Data on Dy4(Al8Pd3)3 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1694539· OSTI ID:1694539

Dy4(Pd3Al8)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Dy–Pd bond distances ranging from 3.31–3.54 Å. There are a spread of Dy–Al bond distances ranging from 3.08–3.26 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Dy–Pd bond distances ranging from 3.31–3.54 Å. There are a spread of Dy–Al bond distances ranging from 3.08–3.25 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to two Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.54–2.74 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to four Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.58–2.61 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the fifth Pd site, Pd is bonded in a 8-coordinate geometry to four Dy and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.55–2.63 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Dy and three Pd atoms. In the second Al site, Al is bonded to four Pd atoms to form distorted AlPd4 tetrahedra that share corners with six AlDyPd4 tetrahedra and edges with three AlPd4 tetrahedra. In the third Al site, Al is bonded to one Dy and four Pd atoms to form a mixture of distorted edge and corner-sharing AlDyPd4 tetrahedra. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Dy and three Pd atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Dy and three Pd atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Dy and three Pd atoms. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three Dy and three Pd atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Dy and three Pd atoms. In the ninth Al site, Al is bonded to one Dy and four Pd atoms to form a mixture of distorted edge and corner-sharing AlDyPd4 tetrahedra. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two Dy and two Pd atoms. In the eleventh Al site, Al is bonded in a 2-coordinate geometry to two Dy and two Pd atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to two Dy and two Pd atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1694539
• Report Number(s): mp-1212879
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Dy-Pd
Dy4(Al8Pd3)3
crystal structure