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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmSbO4 by Materials Project

SmSbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.90 Å. Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–46°. There are a spread of Sb–O bond distances ranging from 1.97–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sm3+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OSm3Sb tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Sm3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3SbO3 by Materials Project

Sm3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.27 Å. There are a spread of Sm–O bond distances ranging from 2.28–2.51 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.32 Å. There are a spread of Sm–O bond distances ranging from 2.27–2.39 Å. In the third Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four O2- atoms. There are two shorter (3.46 Å) and two longer (3.49 Å) Sm–Sb bond lengths. There are a spread of Sm–O bond distances ranging from 2.31–2.68 Å. Sb3- is bonded in a body-centered cubic geometry to eight Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 trigonal pyramids. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of distorted corner and edge-sharing OSm4 trigonal pyramids. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3SbO7 by Materials Project

Sm3SbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.74 Å. In the second Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one SmO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Sm–O bond distances ranging from 2.28–2.55 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent SmO7 pentagonal bipyramids, and edges with four equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are a spread of Sb–O bond distances ranging from 2.00–2.05 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one Sb5+ atom. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSbO3 by Materials Project

SmSbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent SbO6 octahedra. All Sm–O bond lengths are 3.02 Å. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.13 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm3+ and two equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2SbO2 by Materials Project

Sm2SbO2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four equivalent O2- atoms. There are two shorter (3.57 Å) and two longer (3.59 Å) Sm–Sb bond lengths. There are one shorter (2.29 Å) and three longer (2.30 Å) Sm–O bond lengths. Sb2- is bonded in a body-centered cubic geometry to eight equivalent Sm3+ atoms. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3SbO7 by Materials Project

Sm3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.70 Å. In the second Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one SmO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Sm–O bond distances ranging from 2.28–2.55 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent SmO7 pentagonal bipyramids, and edges with four equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. There are four shorter (2.00 Å) and two longer (2.05 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.

36 MATERIALS SCIENCE↗