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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on U(MoO6)2 by Materials Project

(UMo2O9)2(O2)3 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of four trioxidane molecules and two UMo2O9 sheets oriented in the (0, 0, 1) direction. In each UMo2O9 sheet, U is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.79–2.48 Å. Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.15 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one U and two equivalent Mo atoms. 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 single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one Mo atom. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to one U and two equivalent Mo atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on U(MoO6)2 by Materials Project

(UMo2O9)2(O2)3 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of four trioxidane molecules and two UMo2O9 sheets oriented in the (0, 0, 1) direction. In each UMo2O9 sheet, U is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.79–2.49 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.13 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.13 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mo atom. In the second O site, O is bonded in a bent 150 degrees geometry to one U and one Mo atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to one U and two Mo atoms. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one U and two Mo atoms. 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 planar geometry to one U and two Mo atoms. In the eighth O site, O is bonded in a single-bond geometry to one Mo atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one U and one Mo atom.

36 MATERIALS SCIENCE↗