Materials Data on Cs2MnSnTe4 by Materials Project

Dataset · Mon Jul 20 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1197451· OSTI ID:1197451

Cs2MnSnTe4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cs1+ is bonded to eight equivalent Te2- atoms to form distorted CsTe8 hexagonal bipyramids that share corners with four equivalent CsTe8 hexagonal bipyramids, corners with two equivalent SnTe4 tetrahedra, corners with four equivalent MnTe4 tetrahedra, edges with six equivalent CsTe8 hexagonal bipyramids, edges with two equivalent MnTe4 tetrahedra, edges with three equivalent SnTe4 tetrahedra, and faces with two equivalent CsTe8 hexagonal bipyramids. There are a spread of Cs–Te bond distances ranging from 4.00–4.17 Å. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with eight equivalent CsTe8 hexagonal bipyramids, edges with four equivalent CsTe8 hexagonal bipyramids, and edges with two equivalent SnTe4 tetrahedra. All Mn–Te bond lengths are 2.77 Å. Sn4+ is bonded to four equivalent Te2- atoms to form SnTe4 tetrahedra that share corners with four equivalent CsTe8 hexagonal bipyramids, edges with six equivalent CsTe8 hexagonal bipyramids, and edges with two equivalent MnTe4 tetrahedra. All Sn–Te bond lengths are 2.79 Å. Te2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Mn2+, 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: 1197451
• Report Number(s): mp-22235
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cs-Mn-Sn-Te
Cs2MnSnTe4
crystal structure