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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgU2(SiO9)2 by Materials Project

MgU2(SiO9)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a linear geometry to six O atoms. There are two shorter (1.83 Å) and four longer (2.73 Å) Mg–O bond lengths. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.82–2.54 Å. Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U 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 bent 150 degrees geometry to one U and one Si atom. In the fourth O site, O is bonded in a linear geometry to one Mg and one Si atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent U and one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom. The O–O bond length is 1.29 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgU2(SiO8)2 by Materials Project

MgU2(SiO8)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra. There are two shorter (1.96 Å) and four longer (2.07 Å) Mg–O bond lengths. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.81–2.56 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is two shorter (1.63 Å) and two longer (1.65 Å) Si–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one Si atom. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent U and one Si atom. 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 single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one Mg atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgU2Si2O17 by Materials Project

MgU2Si2O17 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra. There are two shorter (1.91 Å) and four longer (2.10 Å) Mg–O bond lengths. U is bonded in a 5-coordinate geometry to five O atoms. There are two shorter (1.81 Å) and three longer (2.25 Å) U–O bond lengths. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U 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 linear geometry to one Mg and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one Si atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one U and one Si atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Mg and two O atoms. There is one shorter (1.35 Å) and one longer (1.73 Å) O–O bond length. In the seventh O site, O is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗