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Materials Data on UGa3Pd2 by Materials Project

UPd2Ga3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. U is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms. All U–Pd bond lengths are 3.08 Å. Pd is bonded in a 12-coordinate geometry to three equivalent U and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.65 Å. Ga is bonded in a 12-coordinate geometry to four equivalent Pd atoms.

36 MATERIALS SCIENCE↗

Materials Data on U4Ga12Pd by Materials Project

U4PdGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U is bonded to twelve Ga atoms to form UGa12 cuboctahedra that share corners with twelve equivalent UGa12 cuboctahedra, edges with twelve equivalent GaU4Ga8 cuboctahedra, faces with six equivalent UGa12 cuboctahedra, faces with six equivalent GaU4Ga8 cuboctahedra, and faces with two equivalent PdGa6 octahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) U–Ga bond lengths. Pd is bonded to six equivalent Ga atoms to form PdGa6 octahedra that share corners with twenty-four equivalent GaU4Ga8 cuboctahedra and faces with eight equivalent UGa12 cuboctahedra. All Pd–Ga bond lengths are 2.54 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent U and eight Ga atoms to form distorted GaU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga8 cuboctahedra, corners with four equivalent PdGa6 octahedra, edges with eight equivalent UGa12 cuboctahedra, edges with eight equivalent GaU4Ga8 cuboctahedra, faces with four equivalent UGa12 cuboctahedra, and faces with six equivalent GaU4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.80 Å) and four longer (3.06 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent U, one Pd, and four equivalent Ga atoms.

36 MATERIALS SCIENCE↗

Materials Data on UGaPd by Materials Project

UPdGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Pd and six Ga atoms. There are four shorter (2.95 Å) and one longer (2.98 Å) U–Pd bond lengths. There are two shorter (3.14 Å) and four longer (3.33 Å) U–Ga bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Pd and six Ga atoms. There are four shorter (2.95 Å) and one longer (2.98 Å) U–Pd bond lengths. There are two shorter (3.13 Å) and four longer (3.34 Å) U–Ga bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six U and three Ga atoms. There are two shorter (2.71 Å) and one longer (2.72 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three U and six Ga atoms. There are four shorter (2.67 Å) and two longer (2.68 Å) Pd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six U, four Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.85 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six U, four Pd, and two Ga atoms. The Ga–Ga bond length is 2.85 Å.

36 MATERIALS SCIENCE↗