Materials Data on Dy3Si11Pt23 by Materials Project

Dy3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing DyPt8 cuboctahedra. All Dy–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.26- sites. In the first Pt+1.26- site, Pt+1.26- is bonded in a distorted square co-planar geometry to four equivalent Si+1.82+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.26- site, Pt+1.26- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and three Si+1.82+ atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Pt–Si bond lengths. In the third Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.49 Å) Pt–Si bond lengths. In the fourth Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.51 Å. There are three inequivalent Si+1.82+ sites. In the first Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms. In the second Si+1.82+ site, Si+1.82+ is bonded in a body-centered cubic geometry to eight Pt+1.26- atoms. In the third Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms.

Dy₃Pt₂₃Si₁₁晶体属立方晶系（cubic system）Fm-3m空间群（space group）。其结构为三维结构。Dy³⁺与8个等价的Pt⁺¹·²⁶⁻原子键合，形成扭曲的、共顶点连接的（corner-sharing）DyPt₈立方八面体（cuboctahedra）。所有Dy–Pt键的键长（bond length）均为3.16 Å（埃，angstrom）。存在4个不等价的Pt⁺¹·²⁶⁻位点（site）。在第一个Pt⁺¹·²⁶⁻位点中，Pt⁺¹·²⁶⁻以扭曲的正方形共面几何构型（distorted square co-planar geometry）与4个等价的Si⁺¹·⁸²⁺原子键合。所有Pt–Si键的键长均为2.58 Å。在第二个Pt⁺¹·²⁶⁻位点中，Pt⁺¹·²⁶⁻以三配位几何构型（3-coordinate geometry）与2个等价的Dy³⁺和3个Si⁺¹·⁸²⁺原子键合。其中Pt–Si键存在1个较短键（2.43 Å）和2个较长键（2.46 Å）。在第三个Pt⁺¹·²⁶⁻位点中，Pt⁺¹·²⁶⁻与4个Si⁺¹·⁸²⁺原子键合，形成共顶点和共边连接的（edge-sharing）PtSi₄四面体（tetrahedra）。其中Pt–Si键存在1个较短键（2.43 Å）和3个较长键（2.49 Å）。在第四个Pt⁺¹·²⁶⁻位点中，Pt⁺¹·²⁶⁻与4个Si⁺¹·⁸²⁺原子键合，形成扭曲的共顶点和共边连接的PtSi₄四面体。所有Pt–Si键的键长均为2.51 Å。存在3个不等价的Si⁺¹·⁸²⁺位点。在第一个Si⁺¹·⁸²⁺位点中，Si⁺¹·⁸²⁺以七配位几何构型（7-coordinate geometry）与7个Pt⁺¹·²⁶⁻原子键合。在第二个Si⁺¹·⁸²⁺位点中，Si⁺¹·⁸²⁺以体心立方几何构型（body-centered cubic geometry）与8个Pt⁺¹·²⁶⁻原子键合。在第三个Si⁺¹·⁸²⁺位点中，Si⁺¹·⁸²⁺以七配位几何构型与7个Pt⁺¹·²⁶⁻原子键合。