Materials Data on Er4(Al8Pt3)3 by Materials Project

Dataset · Wed Jul 22 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205690· OSTI ID:1205690

Er4Pt9Al24 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Er–Pt bond distances ranging from 3.28–3.54 Å. There are a spread of Er–Al bond distances ranging from 3.06–3.21 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Er–Pt bond distances ranging from 3.28–3.53 Å. There are a spread of Er–Al bond distances ranging from 3.07–3.21 Å. There are five inequivalent Pt sites. In the first Pt site, Pt is bonded in a 8-coordinate geometry to two Er and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.76 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to four Er and eight Al atoms. There are four shorter (2.58 Å) and four longer (2.62 Å) Pt–Al bond lengths. In the third Pt site, Pt is bonded in a 8-coordinate geometry to four Er and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.55–2.64 Å. In the fourth Pt site, Pt is bonded in a 8-coordinate geometry to two Er and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.76 Å. In the fifth Pt site, Pt is bonded in a 10-coordinate geometry to two Er and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.76 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pt atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three Er and three Pt atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pt atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pt atoms. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two Er and two Pt atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pt atoms. In the seventh Al site, Al is bonded to one Er and four Pt atoms to form a mixture of distorted edge and corner-sharing AlErPt4 tetrahedra. In the eighth Al site, Al is bonded to one Er and four Pt atoms to form a mixture of distorted edge and corner-sharing AlErPt4 tetrahedra. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Er and three Pt atoms. In the tenth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pt atoms. In the eleventh Al site, Al is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing AlPt4 tetrahedra. In the twelfth Al site, Al is bonded in a 3-coordinate geometry to two Er and three Pt 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: 1205690
• Report Number(s): mp-31475
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Er-Pt
Er4(Al8Pt3)3
crystal structure