Materials Data on Y3Th by Materials Project

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

DOI:https://doi.org/10.17188/1316362· OSTI ID:1316362

ThY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Y atoms to form ThY12 cuboctahedra that share corners with six equivalent ThY12 cuboctahedra, corners with twelve equivalent YY8Th4 cuboctahedra, edges with eighteen equivalent YY8Th4 cuboctahedra, faces with eight equivalent ThY12 cuboctahedra, and faces with twelve equivalent YY8Th4 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.62 Å) Th–Y bond lengths. Y is bonded to four equivalent Th and eight equivalent Y atoms to form YY8Th4 cuboctahedra that share corners with four equivalent ThY12 cuboctahedra, corners with fourteen equivalent YY8Th4 cuboctahedra, edges with six equivalent ThY12 cuboctahedra, edges with twelve equivalent YY8Th4 cuboctahedra, faces with four equivalent ThY12 cuboctahedra, and faces with sixteen equivalent YY8Th4 cuboctahedra. There are six shorter (3.59 Å) and two longer (3.65 Å) Y–Y bond lengths.

• 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: 1316362
• Report Number(s): mp-981549
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Th-Y
Y3Th
crystal structure