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DOE OSTI2020

Materials Data on Rb2SbBr6 by Materials Project

(Rb)2SbBr6 crystallizes in the tetragonal I4_1/amd 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 four shorter (2.76 Å) and two longer (2.77 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 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 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↗