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DOE OSTI · 1282023

Materials Data on SrTlO3 by Materials Project

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Abstract

SrTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent TlO6 octahedra. All Sr–O bond lengths are 3.03 Å. Tl is bonded to six equivalent O atoms to form TlO6 octahedra that share corners with six equivalent TlO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–O bond lengths are 2.14 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Tl atoms.

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36 MATERIALS SCIENCEcrystal structureO-Sr-TlSrTlO3

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2020-07-23. Materials Data on SrTlO3 by Materials Project. https://doi.org/10.17188/1282023

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