DOI: 10.17188/1283002
title: Materials Data on Dy7(CuTe4)3 by Materials Project

description: Dy7Cu3Te12 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are seven inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share a cornercorner with one DyTe6 octahedra, corners with three CuTe4 tetrahedra, edges with seven DyTe6 octahedra, and edges with two CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Dy–Te bond distances ranging from 3.07–3.17 Å. In the second Dy3+ site, Dy3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing DyTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Dy–Te bond distances ranging from 3.04–3.10 Å. In the third Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share a cornercorner with one DyTe6 octahedra, corners with three CuTe4 tetrahedra, edges with seven DyTe6 octahedra, and edges with two CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Dy–Te bond distances ranging from 3.06–3.14 Å. In the fourth Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share a cornercorner with one DyTe6 octahedra, corners with three CuTe4 tetrahedra, edges with seven DyTe6 octahedra, and an edgeedge with one CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Dy–Te bond distances ranging from 3.07–3.11 Å. In the fifth Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share a cornercorner with one DyTe6 octahedra, corners with three CuTe4 tetrahedra, edges with seven DyTe6 octahedra, and edges with two CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Dy–Te bond distances ranging from 3.05–3.13 Å. In the sixth Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share a cornercorner with one DyTe6 octahedra, corners with three CuTe4 tetrahedra, edges with seven DyTe6 octahedra, and an edgeedge with one CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Dy–Te bond distances ranging from 3.07–3.14 Å. In the seventh Dy3+ site, Dy3+ is bonded to six Te2- atoms to form DyTe6 octahedra that share a cornercorner with one DyTe6 octahedra, corners with three CuTe4 tetrahedra, edges with seven DyTe6 octahedra, and an edgeedge with one CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Dy–Te bond distances ranging from 3.03–3.10 Å. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six DyTe6 octahedra, edges with three DyTe6 octahedra, and edges with two CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–56°. There are a spread of Cu–Te bond distances ranging from 2.58–2.73 Å. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six DyTe6 octahedra, corners with three equivalent CuTe4 tetrahedra, edges with three DyTe6 octahedra, and an edgeedge with one CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–56°. There are a spread of Cu–Te bond distances ranging from 2.59–2.68 Å. In the third Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six DyTe6 octahedra, corners with three equivalent CuTe4 tetrahedra, edges with three DyTe6 octahedra, and an edgeedge with one CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–55°. There are a spread of Cu–Te bond distances ranging from 2.59–2.68 Å. There are twelve inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three Dy3+ and two Cu1+ atoms to form a mixture of distorted edge and corner-sharing TeDy3Cu2 square pyramids. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Dy3+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to three Dy3+ and three Cu1+ atoms. In the fourth Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Dy3+ atoms. In the fifth Te2- site, Te2- is bonded to three Dy3+ and two Cu1+ atoms to form a mixture of distorted edge and corner-sharing TeDy3Cu2 square pyramids. In the sixth Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Dy3+ atoms. In the seventh Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Dy3+ atoms. In the eighth Te2- site, Te2- is bonded to three Dy3+ and two Cu1+ atoms to form a mixture of distorted edge and corner-sharing TeDy3Cu2 square pyramids. In the ninth Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Dy3+ atoms. In the tenth Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to three Dy3+ and one Cu1+ atom. In the eleventh Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Dy3+ atoms. In the twelfth Te2- site, Te2- is bonded to three Dy3+ and two Cu1+ atoms to form a mixture of distorted edge and corner-sharing TeDy3Cu2 square pyramids.