Materials Data on Sc2MnSe4 by Materials Project

Sc2MnSe4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share corners with six equivalent MnSe4 tetrahedra and edges with six equivalent ScSe6 octahedra. All Sc–Se bond lengths are 2.72 Å. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with twelve equivalent ScSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Mn–Se bond lengths are 2.53 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sc3+ and one Mn2+ atom.

Sc₂MnSe₄具有尖晶石（Spinel）结构，结晶于立方晶系Fd-3m空间群。该晶体为三维骨架结构。Sc³⁺与6个等价的Se²⁻配位，形成ScSe₆八面体，该八面体与6个等价的MnSe₄四面体共享顶点，同时与6个等价的ScSe₆八面体共享棱。所有Sc-Se键长均为2.72 Å。Mn²⁺与4个等价的Se²⁻配位，形成MnSe₄四面体，该四面体与12个等价的ScSe₆八面体共享顶点。共顶点八面体的倾斜角为57°。所有Mn-Se键长均为2.53 Å。Se²⁻采用畸变矩形跷跷板型配位几何，与3个等价的Sc³⁺和1个Mn²⁺配位。