Ba2GaSbSe5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. Ga(1) is bonded in a tetrahedral geometry to one Se(3), one Se(4), and two equivalent Se(1) atoms. Sb(1) is bonded in a 3-coordinate geometry to one Se(2) and four equivalent Se(1) atoms. There are four inequivalent Se sites. In the first Se site, Se(4) is bonded to four equivalent Ba(1) and one Ga(1) atom to form distorted SeBa4Ga square pyramids that share corners with four equivalent Se(2)Ba4Sb square pyramids, edges with two equivalent Se(4)Ba4Ga square pyramids, and edges with two equivalent Se(2)Ba4Sb square pyramids. In the second Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Ga(1), and two equivalent Sb(1) atoms. In the third Se site, Se(2) is bonded to four equivalent Ba(1) and one Sb(1) atom to form SeBa4Sb square pyramids that share corners with four equivalent Se(4)Ba4Ga square pyramids, corners with four equivalent Se(2)Ba4Sb square pyramids, and edges with two equivalent Se(4)Ba4Ga square pyramids. In the fourth Se site, Se(3) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Ga(1) atom.
Ba2GaSbSe5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There is one shorter (3.47 Å) and one longer (3.56 Å) Ba(1)-Se(1) bond length. Both Ba(1)-Se(2) bond lengths are 3.47 Å. There is one shorter (3.45 Å) and one longer (3.50 Å) Ba(1)-Se(3) bond length. Both Ba(1)-Se(4) bond lengths are 3.45 Å. Ga(1) is bonded in a tetrahedral geometry to one Se(3), one Se(4), and two equivalent Se(1) atoms. The Ga(1)-Se(3) bond length is 2.41 Å. The Ga(1)-Se(4) bond length is 2.38 Å. Both Ga(1)-Se(1) bond lengths are 2.47 Å. Sb(1) is bonded in a 3-coordinate geometry to one Se(2) and four equivalent Se(1) atoms. The Sb(1)-Se(2) bond length is 2.62 Å. There are two shorter (2.69 Å) and two longer (3.28 Å) Sb(1)-Se(1) bond lengths. There are four inequivalent Se sites. In the first Se site, Se(4) is bonded to four equivalent Ba(1) and one Ga(1) atom to form distorted SeBa4Ga square pyramids that share corners with four equivalent Se(2)Ba4Sb square pyramids, edges with two equivalent Se(4)Ba4Ga square pyramids, and edges with two equivalent Se(2)Ba4Sb square pyramids. In the second Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Ga(1), and two equivalent Sb(1) atoms. In the third Se site, Se(2) is bonded to four equivalent Ba(1) and one Sb(1) atom to form SeBa4Sb square pyramids that share corners with four equivalent Se(4)Ba4Ga square pyramids, corners with four equivalent Se(2)Ba4Sb square pyramids, and edges with two equivalent Se(4)Ba4Ga square pyramids. In the fourth Se site, Se(3) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Ga(1) atom.