Materials Data on SmEuS2 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1708484· OSTI ID:1708484

EuSmS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu2+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with six equivalent EuS6 octahedra, edges with four equivalent EuS6 octahedra, and edges with eight equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.88 Å) and four longer (2.89 Å) Eu–S bond lengths. Sm2+ is bonded to six S2- atoms to form SmS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with four equivalent SmS6 octahedra, and edges with eight equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sm–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Eu2+ and four equivalent Sm2+ atoms to form a mixture of corner and edge-sharing SSm4Eu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S2- site, S2- is bonded to four equivalent Eu2+ and two equivalent Sm2+ atoms to form SSm2Eu4 octahedra that share corners with six equivalent SSm2Eu4 octahedra and edges with twelve SSm4Eu2 octahedra. The corner-sharing octahedral tilt angles are 0°.

• 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: 1708484
• Report Number(s): mp-1219053
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-S-Sm
SmEuS2
crystal structure