Materials Data on BaAg2GeSe4 by Materials Project
BaAg2GeSe4 crystallizes in the orthorhombic I222 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.45 Å) and four longer (3.48 Å) Ba–Se bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. There are two shorter (2.63 Å) and two longer (2.89 Å) Ag–Se bond lengths. Ge4+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Ge–Se bond lengths are 2.40 Å. Se2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, two equivalent Ag1+, and one Ge4+ atom.