Materials Data on Eu2MgS4 by Materials Project

MgEu2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share corners with six EuS6 octahedra and edges with three EuS6 octahedra. The corner-sharing octahedra tilt angles range from 59–65°. There are a spread of Mg–S bond distances ranging from 2.40–2.49 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with four equivalent EuS6 octahedra, corners with two equivalent MgS4 tetrahedra, edges with four EuS6 octahedra, and edges with two equivalent MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Eu–S bond distances ranging from 2.79–2.86 Å. In the second Eu3+ site, Eu3+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with eight EuS6 octahedra, corners with four equivalent MgS4 tetrahedra, edges with two equivalent EuS6 octahedra, and an edgeedge with one MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Eu–S bond distances ranging from 2.81–2.89 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Eu3+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Eu3+ atoms. In the third S2- site, S2- is bonded to one Mg2+ and three Eu3+ atoms to form distorted corner-sharing SEu3Mg trigonal pyramids.