Materials Data on Cs2O3 by Materials Project

Cs2O3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded to twelve equivalent O atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent CsO6 octahedra. All Cs–O bond lengths are 3.28 Å. In the second Cs site, Cs is bonded to six equivalent O atoms to form CsO6 octahedra that share corners with six equivalent CsO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–O bond lengths are 2.32 Å. O is bonded in a distorted linear geometry to six Cs atoms.

三氧化二铯（Cs₂O₃）为立方钙钛矿衍生结构，结晶于立方Pm-3m空间群。其结构为三维空间网状结构。存在两个不等价的铯（Cs）原子位点。在第一个铯位点中，铯原子与12个等价的氧原子成键，形成CsO₁₂立方八面体配位多面体；该配位多面体与12个等价的CsO₁₂立方八面体共角、6个等价的CsO₁₂立方八面体共面，同时与8个等价的CsO₆八面体共面。所有Cs–O键长均为3.28埃（Å）。在第二个铯位点中，铯原子与6个等价的氧原子成键，形成CsO₆八面体配位多面体；该配位多面体与6个等价的CsO₆八面体共角，与8个等价的CsO₁₂立方八面体共面。共角八面体的倾斜角为0°，所有Cs–O键长均为2.32埃（Å）。氧原子以畸变直线型配位方式与6个铯原子成键。