Materials Data on LaGa3Pt by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1752931· OSTI ID:1752931

LaPtGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Pt and twelve Ga atoms. All La–Pt bond lengths are 3.44 Å. There are eight shorter (3.33 Å) and four longer (3.44 Å) La–Ga bond lengths. Pt is bonded to four equivalent La and eight Ga atoms to form distorted PtLa4Ga8 tetrahedra that share corners with four equivalent GaLa4Ga4Pt4 cuboctahedra, corners with twelve equivalent PtLa4Ga8 tetrahedra, edges with two equivalent GaLa4Ga4Pt4 cuboctahedra, faces with four equivalent GaLa4Ga4Pt4 cuboctahedra, and faces with four equivalent PtLa4Ga8 tetrahedra. There are four shorter (2.59 Å) and four longer (3.08 Å) Pt–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Pt, and three Ga atoms. There are one shorter (2.53 Å) and two longer (2.59 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent La, four equivalent Pt, and four equivalent Ga atoms to form GaLa4Ga4Pt4 cuboctahedra that share corners with twelve equivalent GaLa4Ga4Pt4 cuboctahedra, corners with four equivalent PtLa4Ga8 tetrahedra, edges with two equivalent PtLa4Ga8 tetrahedra, faces with four equivalent GaLa4Ga4Pt4 cuboctahedra, and faces with four equivalent PtLa4Ga8 tetrahedra.

• 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: 1752931
• Report Number(s): mp-1222794
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-La-Pt
LaGa3Pt
crystal structure