Materials Data on Pr2Ga2Co15 by Materials Project

Pr2Co15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to eighteen Co and one Ga atom. There are a spread of Pr–Co bond distances ranging from 2.95–3.34 Å. The Pr–Ga bond length is 3.02 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Pr, eight Co, and two equivalent Ga atoms to form distorted CoPr2Ga2Co8 cuboctahedra that share corners with fourteen CoPr2Ga2Co8 cuboctahedra, edges with six equivalent CoPr3GaCo8 cuboctahedra, and faces with ten CoPr2Ga2Co8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.45 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.55 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Pr, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.42–2.60 Å. Both Co–Ga bond lengths are 2.75 Å. In the third Co site, Co is bonded to three equivalent Pr, eight Co, and one Ga atom to form a mixture of corner, edge, and face-sharing CoPr3GaCo8 cuboctahedra. Both Co–Co bond lengths are 2.48 Å. The Co–Ga bond length is 2.61 Å. Ga is bonded in a 7-coordinate geometry to one Pr, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.62 Å.

Pr2Co15Ga2 结晶于三角晶系 R-3m 空间群。其结构为三维结构。Pr 以十配位几何构型与 18 个 Co 原子和 1 个 Ga 原子成键。Pr–Co 键长分布在 2.95–3.34 Å 之间。Pr–Ga 键长为 3.02 Å。存在三种不等价的 Co 位点。在第一个 Co 位点中，Co 与 2 个等价的 Pr 原子、8 个 Co 原子和 2 个等价的 Ga 原子成键，形成扭曲的 CoPr2Ga2Co8 立方八面体；这些立方八面体与 14 个 CoPr2Ga2Co8 立方八面体共顶点、与 6 个等价的 CoPr3GaCo8 立方八面体共边，且与 10 个 CoPr2Ga2Co8 立方八面体共面。存在 4 个较短的 Co–Co 键（2.41 Å）和 4 个较长的 Co–Co 键（2.45 Å）。两个 Co–Ga 键的键长均为 2.55 Å。在第二个 Co 位点中，Co 以扭曲的 q6 几何构型与 2 个等价的 Pr 原子、8 个 Co 原子和 2 个等价的 Ga 原子成键。Co–Co 键长分布在 2.42–2.60 Å 之间。两个 Co–Ga 键的键长均为 2.75 Å。在第三个 Co 位点中，Co 与 3 个等价的 Pr 原子、8 个 Co 原子和 1 个 Ga 原子成键，形成共顶点、共边及共面的 CoPr3GaCo8 立方八面体的混合结构。两个 Co–Co 键的键长均为 2.48 Å。Co–Ga 键长为 2.61 Å。Ga 以七配位几何构型与 1 个 Pr 原子、12 个 Co 原子和 1 个 Ga 原子成键。Ga–Ga 键长为 2.62 Å。