Materials Data on ThB4W by Materials Project
ThWB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Th–B bond distances ranging from 2.78–2.88 Å. W2+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are two shorter (2.41 Å) and eight longer (2.44 Å) W–B bond lengths. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Th4+, two equivalent W2+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.78–1.89 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Th4+, two equivalent W2+, and three B+1.50- atoms. The B–B bond length is 1.92 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Th4+, four equivalent W2+, and three B+1.50- atoms. The B–B bond length is 1.74 Å.