Materials Data on KUC3O10 by Materials Project

Abstract

KUC3O10 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two KUC3O10 sheets oriented in the (0, 1, 0) direction. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.62–3.22 Å. U is bonded in a distorted linear geometry to four O atoms. There are a spread of U–O bond distances ranging from 1.80–2.51 Å. There are three inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the third C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. Both C–O bond lengths are 1.27 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one C atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one C atom. In the third O site, O is bonded in a single-bond geometry to one K and one C atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one U and one C atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one U and one C atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent K and one O atom. The O–O bond length is 1.23 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one U atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one K and one O atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one K and one C atom.