Materials Data on CaEuS2 by Materials Project

Abstract

CaEuS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent S2- atoms to form CaS6 octahedra that share corners with six equivalent EuS6 octahedra, edges with six equivalent CaS6 octahedra, and edges with six equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ca–S bond lengths are 2.87 Å. Eu2+ is bonded to six equivalent S2- atoms to form EuS6 octahedra that share corners with six equivalent CaS6 octahedra, edges with six equivalent CaS6 octahedra, and edges with six equivalent EuS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Eu–S bond lengths are 2.91 Å. S2- is bonded to three equivalent Ca2+ and three equivalent Eu2+ atoms to form a mixture of corner and edge-sharing SCa3Eu3 octahedra. The corner-sharing octahedral tilt angles are 0°.