Tl3TaSe4 crystallizes in the cubic I-43m space group. The structure consists of a Tl3TaSe4 framework. Ta(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. Tl(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. Se(1) is bonded to one Ta(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing SeTaTl3 trigonal pyramids.
Tl3TaSe4 crystallizes in the cubic I-43m space group. The structure consists of a Tl3TaSe4 framework. Ta(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. All Ta(1)-Se(1) bond lengths are 2.40 Å. Tl(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. All Tl(1)-Se(1) bond lengths are 3.25 Å. Se(1) is bonded to one Ta(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing SeTaTl3 trigonal pyramids.