Materials Data on SbTe3O8 by Materials Project

SbTe3O8 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Sb5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.13 Å. Te+3.67+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.92 Å) and two longer (2.17 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one Te+3.67+ atom.

SbTe3O8晶体属于立方晶系Ia-3空间群。其晶体结构为三维框架结构。五价锑离子（Sb⁵⁺）以八面体配位方式与六个等价的二价氧离子（O²⁻）成键，所有Sb—O键的键长均为2.13埃（Å）。碲离子（Te^+3.67+）以畸变跷跷板型配位方式与四个O²⁻成键，Te—O键存在两种键长：两个较短键长为1.92埃（Å），另外两个较长键长为2.17埃（Å）。体系中存在两种不等价的O²⁻占位位点：在第一种氧离子占位位点中，O²⁻以平面三角配位方式与三个等价的Te^+3.67+离子成键；在第二种氧离子占位位点中，O²⁻以畸变的120°弯曲配位方式分别与一个Sb⁵⁺离子和一个Te^+3.67+离子成键。