U3Ga2Si3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Fmm2 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one U(3), two equivalent U(2), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second U site, U(2) is bonded in a 10-coordinate geometry to two equivalent U(1), two equivalent Ga(2), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the third U site, U(3) is bonded in a 8-coordinate geometry to one U(1), two equivalent Ga(2), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent U(2), two equivalent U(3), one Ga(2), one Si(1), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent U(1), two equivalent U(2), two equivalent U(3), one Ga(2), and two equivalent Ga(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to two equivalent U(1), two equivalent U(2), two equivalent U(3), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the third Si site, Si(3) is bonded to two equivalent U(1), two equivalent U(2), two equivalent U(3), and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SiU6Ga2 hexagonal bipyramids.
U3Ga2Si3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Fmm2 space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one U(3), two equivalent U(2), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. The U(1)-U(3) bond length is 2.60 Å. Both U(1)-U(2) bond lengths are 2.63 Å. Both U(1)-Si(1) bond lengths are 2.93 Å. There is one shorter (2.91 Å) and one longer (3.19 Å) U(1)-Si(2) bond length. Both U(1)-Si(3) bond lengths are 2.90 Å. In the second U site, U(2) is bonded in a 10-coordinate geometry to two equivalent U(1), two equivalent Ga(2), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There is one shorter (2.93 Å) and one longer (3.15 Å) U(2)-Ga(2) bond length. There is one shorter (2.93 Å) and one longer (3.05 Å) U(2)-Si(1) bond length. Both U(2)-Si(2) bond lengths are 3.09 Å. Both U(2)-Si(3) bond lengths are 3.05 Å. In the third U site, U(3) is bonded in a 8-coordinate geometry to one U(1), two equivalent Ga(2), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. Both U(3)-Ga(2) bond lengths are 3.09 Å. Both U(3)-Si(1) bond lengths are 2.97 Å. There is one shorter (2.81 Å) and one longer (3.30 Å) U(3)-Si(2) bond length. Both U(3)-Si(3) bond lengths are 3.02 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. Both Ga(1)-Si(1) bond lengths are 2.99 Å. Both Ga(1)-Si(2) bond lengths are 2.86 Å. There is one shorter (2.55 Å) and one longer (2.56 Å) Ga(1)-Si(3) bond length. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent U(2), two equivalent U(3), one Ga(2), one Si(1), and two equivalent Si(2) atoms. The Ga(2)-Ga(2) bond length is 2.92 Å. The Ga(2)-Si(1) bond length is 2.52 Å. Both Ga(2)-Si(2) bond lengths are 2.53 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent U(1), two equivalent U(2), two equivalent U(3), one Ga(2), and two equivalent Ga(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to two equivalent U(1), two equivalent U(2), two equivalent U(3), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the third Si site, Si(3) is bonded to two equivalent U(1), two equivalent U(2), two equivalent U(3), and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SiU6Ga2 hexagonal bipyramids.