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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbSO4 by Materials Project

RbSO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one RbSO4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.41 Å. In the second 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 2.88–3.22 Å. There are two inequivalent S sites. In the first S site, S is bonded in a bent 120 degrees geometry to two O atoms. Both S–O bond lengths are 1.45 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Rb and one O atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three equivalent Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSO4 by Materials Project

RbSO4 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 2.96–3.31 Å. S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Rb and one S atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Rb and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSO4 by Materials Project

RbSO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first 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 3.00–3.34 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 2.93–3.33 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the eighth O site, O is bonded in a single-bond geometry to one Rb and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSO4 by Materials Project

RbSO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.28 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 3.08–3.29 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent Rb and one S atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the fourth O site, O is bonded in a single-bond geometry to two Rb and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three equivalent Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the eighth O site, O is bonded in a single-bond geometry to two equivalent Rb and one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSNO4 by Materials Project

(RbSO4)2N2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one RbSO4 framework. In the RbSO4 framework, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.51 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one S6+ atom.

36 MATERIALS SCIENCE↗