Materials Data on Y2MgS4 by Materials Project

MgY2S4 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 YS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–S bond lengths are 2.51 Å. Y3+ is bonded to six equivalent S2- atoms to form YS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent YS6 octahedra. All Y–S bond lengths are 2.75 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Y3+ atoms.

MgY₂S₄ 具有尖晶石（Spinel）结构，结晶于立方晶系Fd-3m空间群。该结构为三维框架结构。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YS₆八面体共顶点。共顶点八面体的倾斜角为56°。所有Mg–S键长均为2.51埃（Å）。Y³+与六个等价的S²-原子成键，形成YS₆八面体，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YS₆八面体共边。所有Y–S键长均为2.75埃（Å）。S²-以畸变矩形跷跷板状配位几何构型，与一个Mg²+和三个等价的Y³+原子成键。