Materials Data on Yb2EuS4 by Materials Project

Dataset · Sat Jul 18 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1283195· OSTI ID:1283195

EuYb2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb3+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent EuS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent EuS8 hexagonal bipyramids. There are two shorter (2.86 Å) and six longer (2.87 Å) Yb–S bond lengths. Eu2+ is bonded to eight equivalent S2- atoms to form distorted EuS8 hexagonal bipyramids that share corners with eight equivalent YbS8 hexagonal bipyramids, edges with four equivalent EuS8 hexagonal bipyramids, and faces with eight equivalent YbS8 hexagonal bipyramids. There are four shorter (2.86 Å) and four longer (2.88 Å) Eu–S bond lengths. S2- is bonded to four equivalent Yb3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge, corner, and face-sharing SYb4Eu2 octahedra. The corner-sharing octahedra tilt angles range from 14–51°.

• 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: 1283195
• Report Number(s): mp-676878
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-S-Yb
Yb2EuS4
crystal structure