Materials Data on CdHgTe2 by Materials Project

HgCdTe2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are one shorter (2.87 Å) and three longer (2.88 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Hg2+ and one Cd2+ atom to form corner-sharing TeCdHg3 tetrahedra. In the second Te2- site, Te2- is bonded to one Hg2+ and three equivalent Cd2+ atoms to form corner-sharing TeCd3Hg tetrahedra.

HgCdTe₂具有类Lavarevićite结构，结晶于三角晶系R3m空间群。该结构为三维：Hg²⁺与四个Te²⁻原子键合形成HgTe₄四面体，每个HgTe₄四面体与六个等价的HgTe₄四面体及六个等价的CdTe₄四面体共享顶点，所有Hg-Te键长均为2.88 Å；Cd²⁺与四个Te²⁻原子键合形成CdTe₄四面体，每个CdTe₄四面体与六个等价的HgTe₄四面体及六个等价的CdTe₄四面体共享顶点，Cd-Te键长包含一个较短键（2.87 Å）和三个较长键（2.88 Å）；存在两种不等价的Te²⁻位点，第一个位点的Te²⁻与三个等价Hg²⁺及一个Cd²⁺原子键合形成共享顶点的TeCdHg₃四面体，第二个位点的Te²⁻与一个Hg²⁺及三个等价Cd²⁺原子键合形成共享顶点的TeCd₃Hg四面体。