Materials Data on Cu2TeO6 by Materials Project

Cu2TeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu3+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.87–2.57 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Cu3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Cu3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu3+ and one Te6+ atom.

Cu₂TeO₆ 属于单斜晶系P2₁/c空间群，其晶体结构为三维连通骨架。铜(III)阳离子(Cu³+)以畸变矩形跷跷板状配位几何与六个氧(-2)阴离子(O²⁻)配位，Cu–O键的键长分布区间为1.87~2.57 埃(Å)。碲(VI)阳离子(Te⁶+)以八面体配位几何与六个氧(-2)阴离子配位，Te–O键的键长分布区间为1.93~2.01 埃(Å)。体系中共存在三个不等价的氧(-2)阴离子位点：在第一个氧位点中，O²⁻以畸变类水分子配位几何与两个等价的Cu³+及一个Te⁶+成键；在第二个氧位点中，O²⁻以畸变类水分子配位几何与两个等价的Cu³+及一个Te⁶+成键；在第三个氧位点中，O²⁻以畸变三角平面配位几何与两个等价的Cu³+及一个Te⁶+成键。