Materials Data on Nd2MgS4 by Materials Project

MgNd2S4 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 NdS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–S bond lengths are 2.54 Å. Nd3+ is bonded to six equivalent S2- atoms to form NdS6 octahedra that share corners with six equivalent MgS4 tetrahedra and edges with six equivalent NdS6 octahedra. All Nd–S bond lengths are 2.84 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Nd3+ atoms.MgNd₂S₄具有尖晶石结构，结晶于立方晶系Fd-3m空间群。该结构为三维网状结构。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NdS₆八面体共顶点，共顶点八面体的倾斜角为56°。所有Mg-S键长均为2.54 Å。Nd³+与六个等价的S²-配位，形成NdS₆八面体，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NdS₆八面体共边。所有Nd-S键长均为2.84 Å。S²-以畸变的矩形跷跷板型配位几何与一个Mg²+和三个等价的Nd³+成键。