Materials Data on U2S2O19 by Materials Project

(USO8)4(O2)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four trioxidane molecules and two USO8 ribbons oriented in the (0, 0, 1) direction. In each USO8 ribbon, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.79–2.65 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 21–44°. There are a spread of S–O bond distances ranging from 1.44–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one U and one O atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one S atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom.

(USO8)4(O2)3结晶于单斜晶系C2/c空间群。该结构为一维结构，由四个三氧烷（trioxidane）分子和两条沿(0,0,1)方向取向的USO8链组成。在每条USO8链中，U与六个O原子键合，形成扭曲的UO6八面体，这些八面体与三个等价的SO4四面体共享顶点。U–O键长范围为1.79–2.65 Å。S与四个O原子键合，形成SO4四面体，这些四面体与三个等价的UO6八面体共享顶点。共享顶点的八面体倾斜角范围为21–44°。存在八个不等价的O位点：第一个O位点中，O以单键几何构型与一个O原子键合，O–O键长为1.23 Å；第二个O位点中，O以120度弯曲的几何构型与一个U原子和一个O原子键合；第三个O位点中，O以单键几何构型与一个U原子键合；第四个O位点中，O以单键几何构型与一个S原子键合；第五个O位点中，O以单键几何构型与一个U原子键合；第六个O位点中，O以扭曲的150度弯曲几何构型与一个U原子和一个S原子键合；第七个O位点中，O以150度弯曲几何构型与一个U原子和一个S原子键合；第八个O位点中，O以150度弯曲几何构型与一个U原子和一个S原子键合。