Materials Data on Ce2MgS4 by Materials Project

MgCe2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent S2- atoms to form MgS4 tetrahedra that share corners with twelve equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.52 Å. Ce3+ is bonded to six equivalent S2- atoms to form CeS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent CeS6 octahedra. All Ce–S bond lengths are 2.85 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Ce3+ atoms.MgCe₂S₄具有尖晶石结构，结晶于立方晶系Fd-3m空间群。该结构为三维骨架结构。Mg²+与四个等价的S²-原子成键，形成MgS₄四面体，该四面体与十二个等价的CeS₆八面体共顶点。共顶点八面体的倾斜角为55°。所有Mg-S键的键长均为2.52 Å。Ce³+与六个等价的S²-原子成键，形成CeS₆八面体；该八面体与六个等价的MgS₄四面体共顶点，同时与六个等价的CeS₆八面体共边。所有Ce-S键的键长均为2.85 Å。S²-采取畸变的矩形跷跷板状配位几何，与一个Mg²+和三个等价的Ce³+原子成键。