Materials Data on Na2CdSnS4 by Materials Project

Abstract

Na2CdSnS4 is Stannite-like structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four S2- atoms to form NaS4 tetrahedra that share corners with four equivalent NaS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.77 Å) Na–S bond lengths. In the second Na1+ site, Na1+ is bonded to four S2- atoms to form NaS4 tetrahedra that share corners with four equivalent NaS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are two shorter (2.84 Å) and two longer (2.89 Å) Na–S bond lengths. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight NaS4 tetrahedra. There are two shorter (2.56 Å) and two longer (2.57 Å) Cd–S bond lengths. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with eight NaS4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.43 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two Na1+, one Cd2+, and one Sn4+ atom to form corner-sharing SNa2CdSn tetrahedra. In the second S2- site, S2- is bonded to two Na1+, one Cd2+, and one Sn4+ atom to form corner-sharing SNa2CdSn tetrahedra.