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DOE OSTI2020

Materials Data on Rb2SbBr6 by Materials Project

(Rb)2SbBr6 is alpha bismuth trifluoride-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of sixteen rubidium molecules and eight SbBr6 clusters. In each SbBr6 cluster, Sb2- is bonded in an octahedral geometry to six Br atoms. There are two shorter (2.67 Å) and four longer (2.68 Å) Sb–Br bond lengths. There are two inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Sb2- atom. In the second Br site, Br is bonded in a single-bond geometry to one Sb2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2H4Pt by Materials Project

(Rb)2PtH4 is Fluorite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is zero-dimensional and consists of two platinum tetrahydride molecules and four rubidium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2H6Pt by Materials Project

(Rb)2PtH6 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight rubidium molecules and four PtH6 clusters. In each PtH6 cluster, Pt2- is bonded in an octahedral geometry to six equivalent H atoms. All Pt–H bond lengths are 1.66 Å. H is bonded in a single-bond geometry to one Pt2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb5NO5 by Materials Project

RbRb4NO5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one rubidium molecule and one Rb4NO5 sheet oriented in the (0, 1, 0) direction. In the Rb4NO5 sheet, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. There are one shorter (2.55 Å) and one longer (2.58 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.40 Å. N5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.41 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one N5+, and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one O2- atom. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Rb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb19O3 by Materials Project

Rb(Rb6O)3 is Copper structured and crystallizes in the cubic Fm-3c space group. The structure is zero-dimensional and consists of eight rubidium molecules and twenty-four Rb6O clusters. In each Rb6O cluster, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a single-bond geometry to one O atom. The Rb–O bond length is 2.63 Å. In the second Rb site, Rb is bonded in a single-bond geometry to one O atom. The Rb–O bond length is 2.95 Å. O is bonded in an octahedral geometry to six Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2SbBr6 by Materials Project

(Rb)2SbBr6 is Fluorite structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four rubidium molecules and two SbBr6 clusters. In each SbBr6 cluster, Sb2- is bonded in an octahedral geometry to six Br atoms. All Sb–Br bond lengths are 2.72 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Sb2- atom. In the second Br site, Br is bonded in a single-bond geometry to one Sb2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBS3 by Materials Project

RbBS3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four rubidium molecules and two BS3 ribbons oriented in the (1, 0, 0) direction. In each BS3 ribbon, B3- is bonded to four S+0.67+ atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.91–1.96 Å. There are three inequivalent S+0.67+ sites. In the first S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second S+0.67+ site, S+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one B3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Cd by Materials Project

(Rb)3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of one cadmium molecule and three rubidium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Cr by Materials Project

(Rb)3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of one chromium molecule and three rubidium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Cd by Materials Project

(Rb)3Cd crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of two cadmium molecules and six rubidium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2RbAs by Materials Project

RbK2As is Cyanogen Chloride-like structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two rubidium molecules and two K2As clusters. In each K2As cluster, K1+ is bonded in a single-bond geometry to one As3- atom. The K–As bond length is 3.16 Å. As3- is bonded in a linear geometry to two equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3PrCl6 by Materials Project

(Rb)2RbPrCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight rubidium molecules and one RbPrCl6 framework. In the RbPrCl6 framework, Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent PrCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.12 Å. Pr3+ is bonded to six equivalent Cl1- atoms to form PrCl6 octahedra that share corners with six equivalent RbCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Cl bond lengths are 2.75 Å. Cl1- is bonded in a linear geometry to one Rb1+ and one Pr3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Cr by Materials Project

(Rb)3Cr crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of two chromium molecules and six rubidium molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2TaAuF6 by Materials Project

(Rb)2AuTaF6 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of four gold molecules, eight rubidium molecules, and four TaF6 clusters. In each TaF6 cluster, Ta5+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Ta–F bond lengths are 1.92 Å. F1- is bonded in a single-bond geometry to one Ta5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsRb2DyCl6 by Materials Project

(Rb)2CsDyCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight rubidium molecules and one CsDyCl6 framework. In the CsDyCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent DyCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.26 Å. Dy3+ is bonded to six equivalent Cl1- atoms to form DyCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Cl bond lengths are 2.64 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one Dy3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb7NaSi8 by Materials Project

RbRb6NaSi8 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of four rubidium molecules and one Rb6NaSi8 framework. In the Rb6NaSi8 framework, Rb1+ is bonded in a 6-coordinate geometry to six Si1- atoms. There are a spread of Rb–Si bond distances ranging from 3.54–3.82 Å. Na1+ is bonded in a 6-coordinate geometry to six equivalent Si1- atoms. All Na–Si bond lengths are 2.96 Å. There are two inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 9-coordinate geometry to six equivalent Rb1+ and three equivalent Si1- atoms. All Si–Si bond lengths are 2.42 Å. In the second Si1- site, Si1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Na1+, and three Si1- atoms. Both Si–Si bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2RbSb by Materials Project

RbCs2Sb is Cyanogen Chloride-like structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two antimony;cesium molecules and two rubidium molecules.

36 MATERIALS SCIENCE↗