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DOE OSTI · 1666488

Materials Data on CrTcO3 by Materials Project

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Abstract

CrTcO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr3+ is bonded to twelve equivalent O2- atoms to form CrO12 cuboctahedra that share corners with twelve equivalent CrO12 cuboctahedra, faces with six equivalent CrO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. All Cr–O bond lengths are 2.75 Å. Tc3+ is bonded to six equivalent O2- atoms to form TcO6 octahedra that share corners with six equivalent TcO6 octahedra and faces with eight equivalent CrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Cr3+ and two equivalent Tc3+ atoms.

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36 MATERIALS SCIENCECr-O-TcCrTcO3crystal structure

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2020-07-24. Materials Data on CrTcO3 by Materials Project. https://doi.org/10.17188/1666488

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