Materials Data on EuCd3S4 by Materials Project

Abstract

EuCd3S4 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Eu2+ is bonded to four S2- atoms to form EuS4 tetrahedra that share corners with six equivalent EuS4 tetrahedra and corners with six CdS4 tetrahedra. There are three shorter (2.74 Å) and one longer (2.80 Å) Eu–S bond lengths. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with three equivalent EuS4 tetrahedra and corners with nine CdS4 tetrahedra. There are one shorter (2.56 Å) and three longer (2.62 Å) Cd–S bond lengths. In the second Cd2+ site, Cd2+ is bonded to four S2- atoms to form corner-sharing CdS4 tetrahedra. There are one shorter (2.58 Å) and three longer (2.61 Å) Cd–S bond lengths. In the third Cd2+ site, Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with three equivalent EuS4 tetrahedra and corners with nine CdS4 tetrahedra. There are one shorter (2.59 Å) and three longer (2.61 Å) Cd–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Cd2+ atoms to form corner-sharing SCd4 tetrahedra. In the second S2- site, S2- is bonded to four Cd2+ atoms to form corner-sharing SCd4 tetrahedra. In the third S2- site, S2- is bonded to three equivalent Eu2+ and one Cd2+ atom to form corner-sharing SEu3Cd tetrahedra. In the fourth S2- site, S2- is bonded to one Eu2+ and three equivalent Cd2+ atoms to form corner-sharing SEuCd3 tetrahedra.