LiMo6(SeS3)2 crystallizes in the trigonal R-3 space group. Li(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Mo(1) is bonded to one Se(1) and four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing MoSeS4 square pyramids. Se(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Mo(1) atoms. S(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms.
LiMo6(SeS3)2 crystallizes in the trigonal R-3 space group. Li(1) is bonded in a linear geometry to two equivalent Se(1) atoms. Both Li(1)-Se(1) bond lengths are 2.43 Å. Mo(1) is bonded to one Se(1) and four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing MoSeS4 square pyramids. The Mo(1)-Se(1) bond length is 2.54 Å. There are a spread of Mo(1)-S(1) bond distances ranging from 2.44-2.50 Å. Se(1) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Mo(1) atoms. S(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) atoms.