Materials Data on Y3U2O10 by Materials Project

Abstract

U2Y3O10 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.41 Å. In the second U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.41 Å. There are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.38 Å. In the second Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.37 Å) and two longer (2.38 Å) Y–O bond lengths. In the third Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.39 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to one U+5.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the second O2- site, O2- is bonded to one U+5.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the third O2- site, O2- is bonded to one U+5.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the fourth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the fifth O2- site, O2- is bonded to one U+5.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the sixth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the seventh O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the eighth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the ninth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the tenth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra.