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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KSbO2 by Materials Project

KSbO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.12 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 (2.22 Å) Sb–O bond lengths. O2- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSbO3 by Materials Project

KSbO3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.68 Å. Sb5+ is bonded to six equivalent O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3SbO3 by Materials Project

K3SbO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All K–O bond lengths are 2.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.79 Å) and three longer (3.02 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.81 Å) and three longer (2.99 Å) K–O bond lengths. Sb3+ is bonded in a distorted 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 K1+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Sb4O11 by Materials Project

K2Sb4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.27 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.97–3.38 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Sb–O bond distances ranging from 1.98–2.12 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Sb–O bond distances ranging from 1.94–2.15 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 33–48°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two K1+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to three Sb5+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4Sb2O3 by Materials Project

K4SbO3Sb crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two antimony molecules and two K4SbO3 sheets oriented in the (0, 0, 1) direction. In each K4SbO3 sheet, there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All K–O bond lengths are 2.66 Å. In the second K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 3.19 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All K–O bond lengths are 2.95 Å. In the fourth K1+ site, K1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All K–O bond lengths are 2.56 Å. Sb1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.93 Å. O2- is bonded to five K1+ and one Sb1+ atom to form a mixture of distorted face and corner-sharing OK5Sb octahedra. The corner-sharing octahedra tilt angles range from 5–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSbO3 by Materials Project

KSbO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.62 Å) and three longer (2.96 Å) K–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form edge-sharing SbO6 octahedra. There are three shorter (2.03 Å) and three longer (2.04 Å) Sb–O bond lengths. O2- is bonded in a 3-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSbO3 by Materials Project

KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.50–2.86 Å. Sb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 1.88–2.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+ and one Sb5+ atom to form OK3Sb tetrahedra that share corners with five OK3Sb tetrahedra, corners with six equivalent OKSb3 trigonal pyramids, and edges with three OK3Sb tetrahedra. In the second O2- site, O2- is bonded to one K1+ and three equivalent Sb5+ atoms to form distorted OKSb3 trigonal pyramids that share corners with eleven OK3Sb tetrahedra, corners with two equivalent OKSb3 trigonal pyramids, an edgeedge with one OKSb2O tetrahedra, and edges with two equivalent OKSb3 trigonal pyramids. In the third O2- site, O2- is bonded to one K1+, two equivalent Sb5+, and one O2- atom to form distorted OKSb2O tetrahedra that share corners with three equivalent OK3Sb tetrahedra, corners with five equivalent OKSb3 trigonal pyramids, edges with two OK3Sb tetrahedra, and an edgeedge with one OKSb3 trigonal pyramid. The O–O bond length is 1.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSbO3 by Materials Project

KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.95 Å. Sb5+ is bonded to five O2- atoms to form edge-sharing SbO5 square pyramids. There are a spread of Sb–O bond distances ranging from 2.07–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Sb5+, and one O2- atom. The O–O bond length is 1.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSbO3 by Materials Project

KSbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.60–2.99 Å. Sb5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 1.89–2.42 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent K1+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two equivalent Sb5+, and one O2- atom. The O–O bond length is 1.46 Å.

36 MATERIALS SCIENCE↗