Materials Data on SbIrXeF12 by Materials Project

XeIrSbF12 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four XeIrSbF12 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.00 Å) and one longer (2.30 Å) Xe–F bond lengths. Ir is bonded to six F atoms to form IrF6 octahedra that share a cornercorner with one SbF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Ir–F bond distances ranging from 1.87–2.03 Å. Sb is bonded to six F atoms to form SbF6 octahedra that share a cornercorner with one IrF6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are five shorter (1.90 Å) and one longer (2.14 Å) Sb–F bond lengths. There are twelve inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one Xe and one Ir atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a bent 150 degrees geometry to one Ir and one Sb atom. In the ninth F site, F is bonded in a single-bond geometry to one Ir atom. In the tenth F site, F is bonded in a single-bond geometry to one Ir atom. In the eleventh F site, F is bonded in a single-bond geometry to one Ir atom. In the twelfth F site, F is bonded in a single-bond geometry to one Ir atom.

XeIrSbF12结晶于单斜晶系（monoclinic）Cc空间群。该结构为零维（zero-dimensional），由四个XeIrSbF12簇组成。Xe原子以直线型几何构型与两个F原子成键，Xe–F键长存在两种：较短键长为2.00 Å，较长键长为2.30 Å。Ir原子与六个F原子成键，形成IrF6八面体；每个IrF6八面体与一个SbF6八面体共享一个顶点，共享顶点的八面体倾斜角为40°。Ir–F键长分布在1.87–2.03 Å范围内。Sb原子与六个F原子成键，形成SbF6八面体；每个SbF6八面体与一个IrF6八面体共享一个顶点，共享顶点的八面体倾斜角为40°。Sb–F键长存在两种：五个较短键长为1.90 Å，一个较长键长为2.14 Å。该结构包含十二个不等价的F原子位点：第一个F位点的F原子以120°弯曲几何构型与一个Xe原子和一个Ir原子成键；第二个F位点的F原子以单键几何构型与一个Xe原子成键；第三至第七个F位点的F原子均以单键几何构型与一个Sb原子成键；第八个F位点的F原子以150°弯曲几何构型与一个Ir原子和一个Sb原子成键；第九至第十二个F位点的F原子均以单键几何构型与一个Ir原子成键。