Materials Data on CsYbH3 by Materials Project
CsYbH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent H1- atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with eight equivalent YbH6 octahedra. All Cs–H bond lengths are 3.26 Å. Yb2+ is bonded to six equivalent H1- atoms to form YbH6 octahedra that share corners with six equivalent YbH6 octahedra and faces with eight equivalent CsH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–H bond lengths are 2.31 Å. H1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms.
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