Materials Data on Er2Pt2O5 by Materials Project

Er2Pt2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.16 Å) and four longer (2.19 Å) Er–O bond lengths. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pt–O bond lengths are 2.24 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Pt2+ atoms to form distorted OEr2Pt2 tetrahedra that share corners with two equivalent OEr2Pt4 octahedra, corners with ten equivalent OEr2Pt2 tetrahedra, and edges with five equivalent OEr2Pt2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second O2- site, O2- is bonded to two equivalent Er3+ and four equivalent Pt2+ atoms to form OEr2Pt4 octahedra that share corners with four equivalent OEr2Pt4 octahedra, corners with eight equivalent OEr2Pt2 tetrahedra, and edges with four equivalent OEr2Pt4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Er₂Pt₂O₅结晶于四方晶系P4/mmm空间群（tetragonal P4/mmm space group），其晶体结构为三维骨架结构。Er³⁺（铒离子）采取五配位几何构型（5-coordinate geometry），与五个O²⁻（氧离子）形成配位键。Er-O键长存在一组较短的2.16 Å与四组较长的2.19 Å。体系中存在两类不等价的Pt²⁺（铂离子）配位位点：在第一类Pt²⁺位点中，Pt²⁺采取体心立方几何构型（body-centered cubic geometry），与八个等价的O²⁻形成配位键，所有Pt-O键长均为2.24 Å；在第二类Pt²⁺位点中，Pt²⁺采取平面正方形几何构型（square co-planar geometry），与四个等价的O²⁻形成配位键，所有Pt-O键长均为2.66 Å。体系中同时存在两类不等价的O²⁻位点：在第一类O²⁻位点中，每个O²⁻与两个等价的Er³⁺及两个等价的Pt²⁺配位，形成畸变的OEr₂Pt₂四面体；该四面体分别与两个等价的OEr₂Pt₄八面体共享顶角、与十个等价的OEr₂Pt₂四面体共享顶角，同时与五个等价的OEr₂Pt₂四面体共享边，其共顶角八面体倾斜角为59°。在第二类O²⁻位点中，每个O²⁻与两个等价的Er³⁺及四个等价的Pt²⁺配位，形成OEr₂Pt₄八面体；该八面体分别与四个等价的OEr₂Pt₄八面体共享顶角、与八个等价的OEr₂Pt₂四面体共享顶角，同时与四个等价的OEr₂Pt₄八面体共享边，其共顶角八面体倾斜角为0°。