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Materials Data on DyGa2 by Materials Project

DyGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Ga atoms to form a mixture of edge and face-sharing DyGa12 cuboctahedra. All Dy–Ga bond lengths are 3.19 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.44 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyGa by Materials Project

DyGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.06–3.23 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Dy and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.62 Å.

36 MATERIALS SCIENCE↗

Materials Data on Dy5Ga3 by Materials Project

Dy5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to six Ga atoms. There are four shorter (3.03 Å) and two longer (3.55 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded to five Ga atoms to form a mixture of distorted face, edge, and corner-sharing DyGa5 trigonal bipyramids. There are a spread of Dy–Ga bond distances ranging from 3.07–3.19 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Dy atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Dy and one Ga atom. The Ga–Ga bond length is 2.64 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyGa3 by Materials Project

DyGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Ga atoms to form DyGa12 cuboctahedra that share corners with twelve equivalent DyGa12 cuboctahedra, edges with twenty-four equivalent GaDy4Ga8 cuboctahedra, faces with six equivalent DyGa12 cuboctahedra, and faces with twelve equivalent GaDy4Ga8 cuboctahedra. All Dy–Ga bond lengths are 3.02 Å. Ga is bonded to four equivalent Dy and eight equivalent Ga atoms to form distorted GaDy4Ga8 cuboctahedra that share corners with twelve equivalent GaDy4Ga8 cuboctahedra, edges with eight equivalent DyGa12 cuboctahedra, edges with sixteen equivalent GaDy4Ga8 cuboctahedra, faces with four equivalent DyGa12 cuboctahedra, and faces with fourteen equivalent GaDy4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.02 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyGa3 by Materials Project

DyGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Ga atoms to form a mixture of distorted face and corner-sharing DyGa12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.14 Å) Dy–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Dy and six equivalent Ga atoms. All Ga–Ga bond lengths are 2.80 Å.

36 MATERIALS SCIENCE↗

Materials Data on Dy3Ga2 by Materials Project

Dy3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Dy–Ga bond distances ranging from 2.92–3.71 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Dy–Ga bond distances ranging from 3.01–3.53 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Dy–Ga bond distances ranging from 2.97–3.32 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Dy atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Dy atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Dy and one Ga atom. The Ga–Ga bond length is 2.80 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyGa3 by Materials Project

DyGa3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Ga atoms to form a mixture of distorted face and corner-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.01–3.12 Å. In the second Dy site, Dy is bonded to twelve Ga atoms to form a mixture of face and corner-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.00–3.11 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Dy and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.86–3.12 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.70 Å) and two longer (2.82 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on DyGa6 by Materials Project

DyGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Dy is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing DyGa12 cuboctahedra. There are four shorter (3.11 Å) and eight longer (3.24 Å) Dy–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Dy and five Ga atoms. There are one shorter (2.43 Å) and four longer (2.60 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Dy and three Ga atoms. The Ga–Ga bond length is 2.50 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyGa3 by Materials Project

DyGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Ga atoms to form a mixture of face and corner-sharing DyGa12 cuboctahedra. There are six shorter (3.00 Å) and six longer (3.10 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded to twelve Ga atoms to form a mixture of face and corner-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.06–3.10 Å. In the third Dy site, Dy is bonded to twelve Ga atoms to form a mixture of distorted face and corner-sharing DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.01–3.11 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.77 Å) and four longer (2.91 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Dy and four Ga atoms. Both Ga–Ga bond lengths are 2.87 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Dy and six Ga atoms. There are two shorter (2.71 Å) and two longer (2.86 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗