Materials Data on CsSr3 by Materials Project

CsSr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve Sr atoms to form CsSr12 cuboctahedra that share corners with four equivalent CsSr12 cuboctahedra, corners with eight equivalent SrCs4Sr8 cuboctahedra, edges with eight equivalent CsSr12 cuboctahedra, edges with sixteen equivalent SrCs4Sr8 cuboctahedra, faces with four equivalent CsSr12 cuboctahedra, and faces with fourteen SrCs4Sr8 cuboctahedra. There are eight shorter (4.45 Å) and four longer (4.50 Å) Cs–Sr bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent Cs and eight Sr atoms to form SrCs4Sr8 cuboctahedra that share corners with twelve equivalent SrCs4Sr8 cuboctahedra, edges with eight equivalent CsSr12 cuboctahedra, edges with sixteen SrCs4Sr8 cuboctahedra, faces with four equivalent CsSr12 cuboctahedra, and faces with fourteen SrCs4Sr8 cuboctahedra. There are four shorter (4.45 Å) and four longer (4.50 Å) Sr–Sr bond lengths. In the second Sr site, Sr is bonded to four equivalent Cs and eight equivalent Sr atoms to form SrCs4Sr8 cuboctahedra that share corners with four equivalent SrCs4Sr8 cuboctahedra, corners with eight equivalent CsSr12 cuboctahedra, edges with twenty-four SrCs4Sr8 cuboctahedra, faces with six equivalent CsSr12 cuboctahedra, and faces with twelve SrCs4Sr8 cuboctahedra.

CsSr3具有β-Cu3Ti型结构，结晶于四方晶系I4/mmm空间群。该结构为三维结构。Cs与12个Sr原子键合形成CsSr12立方八面体，这些立方八面体与4个等价的CsSr12立方八面体共顶点、与8个等价的SrCs4Sr8立方八面体共顶点、与8个等价的CsSr12立方八面体共边、与16个等价的SrCs4Sr8立方八面体共边、与4个等价的CsSr12立方八面体共面、与14个SrCs4Sr8立方八面体共面。存在8个较短的（4.45埃）和4个较长的（4.50埃）Cs–Sr键长。存在两个不等价的Sr位点。在第一个Sr位点中，Sr与4个等价的Cs和8个Sr原子键合形成SrCs4Sr8立方八面体，这些立方八面体与12个等价的SrCs4Sr8立方八面体共顶点、与8个等价的CsSr12立方八面体共边、与16个SrCs4Sr8立方八面体共边、与4个等价的CsSr12立方八面体共面、与14个SrCs4Sr8立方八面体共面。存在4个较短的（4.45埃）和4个较长的（4.50埃）Sr–Sr键长。在第二个Sr位点中，Sr与4个等价的Cs和8个等价的Sr原子键合形成SrCs4Sr8立方八面体，这些立方八面体与4个等价的SrCs4Sr8立方八面体共顶点、与8个等价的CsSr12立方八面体共顶点、与24个SrCs4Sr8立方八面体共边、与6个等价的CsSr12立方八面体共面、与12个SrCs4Sr8立方八面体共面。