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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cd2SnO4 by Materials Project

Cd2SnO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.30–2.47 Å. Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are two shorter (2.08 Å) and four longer (2.14 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Sn4+ atoms to form distorted OCd2Sn2 trigonal pyramids that share corners with eight equivalent OCd4Sn trigonal bipyramids, corners with four equivalent OCd2Sn2 trigonal pyramids, edges with two equivalent OCd4Sn trigonal bipyramids, and edges with two equivalent OCd2Sn2 trigonal pyramids. In the second O2- site, O2- is bonded to four equivalent Cd2+ and one Sn4+ atom to form distorted OCd4Sn trigonal bipyramids that share corners with five equivalent OCd4Sn trigonal bipyramids, corners with eight equivalent OCd2Sn2 trigonal pyramids, edges with four equivalent OCd4Sn trigonal bipyramids, and edges with two equivalent OCd2Sn2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2SnO4 by Materials Project

Cd2SnO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with six equivalent CdO6 octahedra and corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–63°. There are two shorter (2.21 Å) and two longer (2.29 Å) Cd–O bond lengths. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO4 tetrahedra, edges with two equivalent CdO6 octahedra, and edges with four equivalent SnO6 octahedra. There are four shorter (2.29 Å) and two longer (2.41 Å) Cd–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent CdO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent CdO6 octahedra. There are two shorter (2.07 Å) and four longer (2.17 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Cd2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Cd2+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdSnO3 by Materials Project

CdSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent O2- atoms to form distorted CdO6 pentagonal pyramids that share corners with nine equivalent SnO6 octahedra, edges with three equivalent CdO6 pentagonal pyramids, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 41–63°. There are three shorter (2.26 Å) and three longer (2.50 Å) Cd–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent CdO6 pentagonal pyramids, edges with three equivalent SnO6 octahedra, and a faceface with one CdO6 pentagonal pyramid. There are three shorter (2.08 Å) and three longer (2.14 Å) Sn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Cd2+ and two equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdSnO3 by Materials Project

CdSnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cd2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.88 Å. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are four shorter (2.09 Å) and two longer (2.13 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cd2+ and two equivalent Sn4+ atoms to form distorted corner-sharing OCd2Sn2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Cd2+ and two equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdSnO3 by Materials Project

CdSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Cd–O bond lengths are 2.87 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 CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Cd2+ and two equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗