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DOE OSTI · 1674242

Materials Data on CsTmH3 by Materials Project

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Abstract

CsTmH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent H atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with eight equivalent TmH6 octahedra. All Cs–H bond lengths are 3.15 Å. Tm is bonded to six equivalent H atoms to form TmH6 octahedra that share corners with six equivalent TmH6 octahedra and faces with eight equivalent CsH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–H bond lengths are 2.23 Å. H is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Tm atoms.

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36 MATERIALS SCIENCEcrystal structureCs-H-TmCsTmH3

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2020-05-03. Materials Data on CsTmH3 by Materials Project. https://doi.org/10.17188/1674242

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