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ZrGa is delta Molybdenum Boride structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are five shorter (2.83 Å) and two longer (3.02 Å) Zr–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to seven equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å.
ZrGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Zr is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.80–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Zr atoms. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Zr atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.75 Å.
Ga2Zr3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a square co-planar geometry to four equivalent Ga atoms. All Zr–Ga bond lengths are 2.93 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (2.79 Å) and four longer (2.91 Å) Zr–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to eight Zr and one Ga atom. The Ga–Ga bond length is 2.57 Å.
ZrGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded to twelve Ga atoms to form ZrGa12 cuboctahedra that share corners with four equivalent ZrGa12 cuboctahedra, edges with eight equivalent ZrGa12 cuboctahedra, edges with sixteen equivalent GaZr4Ga8 cuboctahedra, faces with four equivalent ZrGa12 cuboctahedra, and faces with eight equivalent GaZr4Ga8 cuboctahedra. There are four shorter (2.77 Å) and eight longer (3.02 Å) Zr–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Zr and eight Ga atoms to form distorted GaZr4Ga8 cuboctahedra that share corners with twelve equivalent GaZr4Ga8 cuboctahedra, edges with eight equivalent ZrGa12 cuboctahedra, edges with eight equivalent GaZr4Ga8 cuboctahedra, faces with four equivalent ZrGa12 cuboctahedra, and faces with ten equivalent GaZr4Ga8 cuboctahedra. There are four shorter (2.77 Å) and four longer (3.02 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Zr and eight equivalent Ga atoms.
Ga3Zr2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to nine Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.82–3.19 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Ga atoms. There are two shorter (2.63 Å) and two longer (2.72 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Ga atoms. Both Ga–Ga bond lengths are 2.77 Å.
Zr2Ga is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Zr–Ga bond lengths are 2.89 Å. Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.74 Å.
ZrGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded to twelve Ga atoms to form ZrGa12 cuboctahedra that share corners with eight equivalent ZrGa12 cuboctahedra, edges with four equivalent ZrGa12 cuboctahedra, edges with sixteen GaZr4Ga8 cuboctahedra, faces with five equivalent ZrGa12 cuboctahedra, and faces with eight GaZr4Ga8 cuboctahedra. There are a spread of Zr–Ga bond distances ranging from 2.83–3.06 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted rectangular see-saw-like geometry to four equivalent Zr and eight Ga atoms. There are four shorter (2.97 Å) and four longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Zr and eight Ga atoms to form distorted GaZr4Ga8 cuboctahedra that share corners with twelve GaZr4Ga8 cuboctahedra, edges with eight equivalent ZrGa12 cuboctahedra, edges with eight equivalent GaZr4Ga8 cuboctahedra, faces with four equivalent ZrGa12 cuboctahedra, and faces with ten GaZr4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.82 Å. In the third Ga site, Ga is bonded to four equivalent Zr and eight Ga atoms to form GaZr4Ga8 cuboctahedra that share corners with twelve GaZr4Ga8 cuboctahedra, edges with eight equivalent ZrGa12 cuboctahedra, edges with eight equivalent GaZr4Ga8 cuboctahedra, faces with four equivalent ZrGa12 cuboctahedra, and faces with ten GaZr4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.82 Å.
Ga5Zr3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.84–3.07 Å. In the second Zr site, Zr is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.72–3.12 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to six Zr and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–3.06 Å. In the second Ga site, Ga is bonded in a 5-coordinate geometry to five Zr and six Ga atoms. Both Ga–Ga bond lengths are 2.81 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Zr and four Ga atoms. The Ga–Ga bond length is 2.79 Å.
Zr3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Ga atoms to form distorted ZrZr8Ga4 cuboctahedra that share corners with twelve equivalent ZrZr8Ga4 cuboctahedra, edges with eight equivalent GaZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Ga4 cuboctahedra, faces with four equivalent GaZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Ga4 cuboctahedra. All Zr–Zr bond lengths are 3.09 Å. All Zr–Ga bond lengths are 3.09 Å. Ga is bonded to twelve equivalent Zr atoms to form GaZr12 cuboctahedra that share corners with twelve equivalent GaZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Ga4 cuboctahedra, faces with six equivalent GaZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Ga4 cuboctahedra.
Zr5Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ga atoms. All Zr–Ga bond lengths are 2.89 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.79–3.14 Å. Ga is bonded in a 9-coordinate geometry to nine Zr atoms.
Ga4Zr5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Zr and six equivalent Ga atoms. Both Zr–Zr bond lengths are 2.88 Å. All Zr–Ga bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Zr–Ga bond distances ranging from 2.79–2.99 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Zr atoms to form distorted face-sharing GaZr6 octahedra. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Zr atoms.