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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgSnO3 by Materials Project

MgSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.14 Å. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 46–48°. There are a spread of Sn–O bond distances ranging from 2.07–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form distorted corner-sharing OMg2Sn2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSnO3 by Materials Project

MgSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Mg–O bond lengths are 2.85 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.01 Å. O2- is bonded in a linear geometry to four equivalent Mg2+ and two equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSnO3 by Materials Project

MgSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent SnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.08 Å) and three longer (2.22 Å) Mg–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent SnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.06 Å) and three longer (2.16 Å) Sn–O bond lengths. O2- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Sn2 trigonal pyramids.

36 MATERIALS SCIENCE↗