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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbSbO2 by Materials Project

RbSbO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.31 Å. Sb3+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.00 Å) and two longer (2.21 Å) Sb–O bond lengths. O2- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Sb5O14 by Materials Project

Rb3Sb5O14 crystallizes in the orthorhombic Pbam 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 nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.67–3.27 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.63–3.28 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.20 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–52°. There are a spread of Sb–O bond distances ranging from 1.94–2.10 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Sb–O bond distances ranging from 1.95–2.21 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sb–O bond distances ranging from 1.98–2.06 Å. In the fourth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–59°. There are a spread of Sb–O bond distances ranging from 1.96–2.12 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three Rb1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three Sb5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Rb1+ and two equivalent Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Sb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Sb8O13 by Materials Project

Rb2Sb8O13 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.11 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.07–3.42 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.09 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.45 Å. There are eight inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.99 Å) and two longer (2.00 Å) Sb–O bond length. In the third Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.49 Å. In the fourth Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.50 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.39 Å. In the sixth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.54 Å. In the seventh Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.00 Å) and one longer (2.71 Å) Sb–O bond lengths. In the eighth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.54 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+ and two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two Sb3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Rb1+ and two Sb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two Sb3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Rb1+ and two Sb3+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Rb1+ and two Sb3+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Sb3+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to four Sb3+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Sb3+ atoms. In the twelfth O2- site, O2- is bonded in an octahedral geometry to six Sb3+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb3+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two Sb3+ atoms. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
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↗
DOE OSTI2020

Materials Data on Rb4SbO4 by Materials Project

Rb4SbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.13 Å. In the second Rb site, Rb is bonded to four O atoms to form distorted RbO4 trigonal pyramids that share corners with four equivalent SbO4 tetrahedra and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Rb–O bond distances ranging from 2.80–2.92 Å. In the third Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.40 Å. In the fourth 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 2.92–3.54 Å. Sb is bonded to four O atoms to form SbO4 tetrahedra that share corners with four equivalent RbO4 trigonal pyramids. There are a spread of Sb–O bond distances ranging from 1.96–2.03 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to five Rb and one Sb atom. In the second O site, O is bonded in a 6-coordinate geometry to five Rb and one Sb atom. In the third O site, O is bonded in a 5-coordinate geometry to five Rb and one Sb atom. In the fourth O site, O is bonded in a 6-coordinate geometry to five Rb and one Sb atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb8SbO3 by Materials Project

Rb8SbO3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to one Sb2- and three equivalent O2- atoms to form a mixture of distorted edge and corner-sharing RbSbO3 tetrahedra. The Rb–Sb bond length is 3.46 Å. All Rb–O bond lengths are 3.16 Å. Sb2- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb4Sb2O5 by Materials Project

Rb4Sb2O5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.88 Å) and four longer (2.97 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.97 Å) and two longer (3.45 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.89 Å) and four longer (3.03 Å) Rb–O bond lengths. In the fourth Rb1+ site, Rb1+ is bonded to six O2- atoms to form distorted RbO6 pentagonal pyramids that share corners with two equivalent SbO4 tetrahedra and edges with two equivalent RbO6 pentagonal pyramids. There are two shorter (2.87 Å) and four longer (3.02 Å) Rb–O bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to four O2- atoms to form SbO4 tetrahedra that share corners with two equivalent RbO6 pentagonal pyramids and corners with two equivalent SbO4 tetrahedra. There are two shorter (1.94 Å) and two longer (2.12 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a water-like geometry to two equivalent O2- atoms. Both Sb–O bond lengths are 1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Rb1+ and one Sb3+ atom to form a mixture of distorted edge, face, and corner-sharing ORb5Sb octahedra. The corner-sharing octahedra tilt angles range from 41–68°. In the second O2- site, O2- is bonded to five Rb1+ and one Sb3+ atom to form a mixture of distorted edge, face, and corner-sharing ORb5Sb octahedra. The corner-sharing octahedra tilt angles range from 41–69°. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Rb1+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗