Materials Data on Li(YSe2)3 by Materials Project

YLi(YSe2)2(Se)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four selenium molecules; two yttrium molecules; and one Li(YSe2)2 sheet oriented in the (0, 0, 1) direction. In the Li(YSe2)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 2.61 Å. Y3+ is bonded in a linear geometry to two equivalent Se+1.67- atoms. Both Y–Se bond lengths are 2.61 Å. Se+1.67- is bonded in a distorted linear geometry to one Li1+ and one Y3+ atom.