Materials Data on Li(ErSe2)3 by Materials Project

ErLi(ErSe2)2(Se)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two erbium molecules; four selenium molecules; and one Li(ErSe2)2 sheet oriented in the (0, 0, 1) direction. In the Li(ErSe2)2 sheet, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se+1.67- atoms. All Li–Se bond lengths are 2.60 Å. Er3+ is bonded in a linear geometry to two equivalent Se+1.67- atoms. Both Er–Se bond lengths are 2.64 Å. Se+1.67- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Er3+ atom.

ErLi(ErSe₂)₂(Se)₂晶体属于正交晶系Cmmm空间群。该结构为二维结构，包含两个铒分子、四个硒分子，以及一片沿(0, 0, 1)方向取向的Li(ErSe₂)₂片层。在Li(ErSe₂)₂片层中，Li¹⁺以畸变矩形跷跷板状配位几何与四个等价的Se⁺1.67⁻原子成键。所有Li-Se键长均为2.60埃。Er³⁺以直线型配位几何与两个等价的Se⁺1.67⁻原子成键，二者Er-Se键长均为2.64埃。Se⁺1.67⁻以畸变150°弯曲配位几何分别与一个Li¹⁺和一个Er³⁺原子成键。