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Materials Data on Cd2Hg by Materials Project

HgCd2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded in a distorted q6 geometry to ten equivalent Cd atoms. There are two shorter (2.95 Å) and eight longer (3.22 Å) Hg–Cd bond lengths. Cd is bonded in a 10-coordinate geometry to five equivalent Hg and five equivalent Cd atoms. There are one shorter (2.95 Å) and four longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on CdHg2 by Materials Project

CdHg2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded in a 10-coordinate geometry to five equivalent Hg and five equivalent Cd atoms. There are one shorter (3.00 Å) and four longer (3.27 Å) Hg–Hg bond lengths. There are one shorter (2.99 Å) and four longer (3.27 Å) Hg–Cd bond lengths. Cd is bonded in a distorted q6 geometry to ten equivalent Hg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cd3Hg by Materials Project

HgCd3 is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Hg is bonded to six equivalent Hg and six equivalent Cd atoms to form HgCd6Hg6 cuboctahedra that share corners with six equivalent HgCd6Hg6 cuboctahedra, corners with twelve equivalent CdCd12 cuboctahedra, edges with six equivalent HgCd6Hg6 cuboctahedra, edges with twelve equivalent CdCd9Hg3 cuboctahedra, faces with six equivalent HgCd6Hg6 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. All Hg–Hg bond lengths are 3.14 Å. All Hg–Cd bond lengths are 3.39 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve equivalent HgCd6Hg6 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, faces with two equivalent HgCd6Hg6 cuboctahedra, and faces with eighteen CdCd12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.29 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to three equivalent Hg and nine Cd atoms to form CdCd9Hg3 cuboctahedra that share corners with eighteen equivalent CdCd9Hg3 cuboctahedra, edges with six equivalent HgCd6Hg6 cuboctahedra, edges with twelve CdCd12 cuboctahedra, faces with six equivalent HgCd6Hg6 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. All Cd–Cd bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗

Materials Data on CdHg3 by Materials Project

Hg3Cd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded to four equivalent Hg and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing HgCd4Hg4 tetrahedra. All Hg–Hg bond lengths are 3.35 Å. All Hg–Cd bond lengths are 3.35 Å. In the second Hg site, Hg is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗

Materials Data on CdHg3 by Materials Project

Hg3Cd crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded in a distorted see-saw-like geometry to four equivalent Cd atoms. There are two shorter (3.33 Å) and two longer (3.37 Å) Hg–Cd bond lengths. Cd is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing CdHg12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on CdHg3 by Materials Project

Hg3Cd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 8-coordinate geometry to four equivalent Hg and four equivalent Cd atoms. All Hg–Hg bond lengths are 3.29 Å. All Hg–Cd bond lengths are 3.47 Å. In the second Hg site, Hg is bonded in a square co-planar geometry to four equivalent Cd atoms. All Hg–Cd bond lengths are 3.29 Å. Cd is bonded to twelve Hg atoms to form a mixture of distorted face, edge, and corner-sharing CdHg12 cuboctahedra.

36 MATERIALS SCIENCE↗