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Materials Data on U2Ag(GeO6)2 by Materials Project

U2Ag(GeO6)2 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent GeO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.48 Å. In the second U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent GeO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.50 Å. Ag is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ag–O bond distances ranging from 2.15–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the second Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with three equivalent UO7 pentagonal bipyramids, a cornercorner with one GeO4 tetrahedra, and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.78 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Ge atom. In the second O site, O is bonded in a distorted single-bond geometry to one U and two equivalent Ag atoms. 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 distorted bent 120 degrees geometry to one U and one Ge atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Ge atoms. In the sixth O site, O is bonded in a water-like geometry to two equivalent Ag atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to one U and two equivalent Ag atoms. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a 3-coordinate geometry to two U and one Ge atom. In the tenth O site, O is bonded in a 3-coordinate geometry to two U and one Ge atom.

36 MATERIALS SCIENCE↗