Materials Data on U2Co(AsO10)2 by Materials Project

Abstract

(U2CoAs2O17)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two water molecules; two water water molecules; and one U2CoAs2O17 sheet oriented in the (0, 1, 1) direction. In the U2CoAs2O17 sheet, there are two inequivalent U sites. In the first U site, U is bonded to six O atoms to form UO6 octahedra that share a cornercorner with one CoO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of U–O bond distances ranging from 1.86–2.21 Å. In the second U site, U is bonded to six O atoms to form UO6 octahedra that share corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.28 Å. Co is bonded to six O atoms to form CoO6 octahedra that share a cornercorner with one UO6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of Co–O bond distances ranging from 1.70–1.98 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 37–41°. There is three shorter (1.71 Å) and one longer (1.72 Å) As–O bond length. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 35–42°. There is one shorter (1.71 Å) and three longer (1.72 Å) As–O bond length. There are seventeen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the second O site, O is bonded in a single-bond geometry to one U 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 bent 150 degrees geometry to one U and one As atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the tenth O site, O is bonded in a linear geometry to one U and one Co atom. In the eleventh O site, O is bonded in a single-bond geometry to one U atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one As atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Co atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Co atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Co atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Co atom. In the seventeenth O site, O is bonded in a single-bond geometry to one Co atom.