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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb3SbO3 by Materials Project

Rb3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.06 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (3.00 Å) and two longer (3.15 Å) Rb–O bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Sb–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Rb1+ and one Sb3+ atom to form distorted edge-sharing ORb5Sb octahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3SbO3 by Materials Project

Rb3SbO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.78–3.23 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.32 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.05 Å. Sb3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.98 Å) and one longer (1.99 Å) Sb–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3SbO3 by Materials Project

Rb3SbO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Rb–O bond lengths are 2.85 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.93 Å) and three longer (3.10 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.92 Å) and three longer (3.14 Å) Rb–O bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.97 Å. O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗