Materials Data on Eu2SnS4 by Materials Project

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

DOI:https://doi.org/10.17188/1279319· OSTI ID:1279319

Eu2SnS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded to seven S2- atoms to form distorted EuS7 pentagonal bipyramids that share corners with six equivalent EuS7 pentagonal bipyramids, corners with three equivalent SnS4 tetrahedra, edges with three equivalent EuS7 pentagonal bipyramids, edges with two equivalent SnS4 tetrahedra, and faces with two equivalent EuS7 pentagonal bipyramids. There are a spread of Eu–S bond distances ranging from 2.96–3.09 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with six equivalent EuS7 pentagonal bipyramids and edges with four equivalent EuS7 pentagonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.45–2.48 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Eu2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing SEu4Sn trigonal bipyramids. In the second S2- site, S2- is bonded to four equivalent Eu2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing SEu4Sn trigonal bipyramids. In the third S2- site, S2- is bonded in a see-saw-like geometry to three equivalent Eu2+ and one Sn4+ atom.

• 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: 1279319
• Report Number(s): mp-632490
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-S-Sn
Eu2SnS4
crystal structure