Materials Data on Pr2MgS4 by Materials Project

MgPr2S4 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 PrS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–S bond lengths are 2.55 Å. Pr3+ is bonded to six equivalent S2- atoms to form PrS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent PrS6 octahedra. All Pr–S bond lengths are 2.87 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Pr3+ atoms.

MgPr₂S₄具有尖晶石结构，结晶于立方晶系Fd-3m空间群。其结构为三维框架结构。Mg²+与四个等价的S²-配位，形成MgS₄四面体，该四面体与十二个等价的PrS₆八面体共顶点。此类共顶点八面体的倾斜角为55°。所有Mg–S键的键长均为2.55 Å。Pr³+与六个等价的S²-配位，形成PrS₆八面体，该八面体既与六个等价的MgS₄四面体共顶点，又与六个等价的PrS₆八面体共边。所有Pr–S键的键长均为2.87 Å。S²-以畸变的矩形跷跷板状配位几何构型，与一个Mg²+和三个等价的Pr³+成键。