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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cd3SiO5 by Materials Project

Cd3SiO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.17 Å) and four longer (2.31 Å) Cd–O bond lengths. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with two equivalent CdO6 octahedra, corners with four equivalent SiO4 tetrahedra, and edges with four equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are four shorter (2.35 Å) and two longer (2.51 Å) Cd–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with eight equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Si–O bond lengths are 1.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Cd2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2SiO4 by Materials Project

Cd2SiO4 crystallizes in the orthorhombic Fddd 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 four equivalent CdO6 pentagonal pyramids, corners with four equivalent SiO4 tetrahedra, edges with four equivalent CdO6 pentagonal pyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.23–2.48 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with eight equivalent CdO6 pentagonal pyramids and edges with two equivalent CdO6 pentagonal pyramids. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Cd2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd2SiO4 by Materials Project

Cd2SiO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent O2- atoms to form CdO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six equivalent CdO6 octahedra. All Cd–O bond lengths are 2.35 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with twelve equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Si–O bond lengths are 1.68 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Cd2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdSiO3 by Materials Project

CdSiO3 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 SiO6 octahedra. All Cd–O bond lengths are 2.56 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to four equivalent Cd2+ and two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗