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Materials Data on RbUSeO8 by Materials Project

RbUSeO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.44 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids and corners with two equivalent SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.83–2.37 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. There are eight 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 1-coordinate geometry to two equivalent Rb and one Se atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Se atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Rb and one U atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent Rb and one U atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to two equivalent U atoms. In the seventh O site, O is bonded in a 2-coordinate geometry to two equivalent Rb, one U, and one Se atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one Se atom.

36 MATERIALS SCIENCE↗

Materials Data on RbU(SeO4)2 by Materials Project

RbU(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.19 Å. U5+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. There are two inequivalent Se5+ sites. In the first Se5+ site, Se5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.67 Å) and two longer (1.71 Å) Se–O bond length. In the second Se5+ site, Se5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one U5+, and one Se5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one U5+, and one Se5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one U5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one U5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Se5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one U5+, and one Se5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one U5+ and one Se5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one U5+, and one Se5+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Rb2U(SeO6)2 by Materials Project

Rb2U(SeO6)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.38 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.42 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.65–1.71 Å. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.65–1.71 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Rb atoms. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one U, and one Se atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Rb, one U, and one Se atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Rb, one U, and one Se atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Rb and one Se atom. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a single-bond geometry to three Rb and one U atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one U and one Se atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Rb and one U atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Se atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to two Rb and one Se atom.

36 MATERIALS SCIENCE↗