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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cs2Pt by Materials Project

Cs2Pt crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted trigonal planar geometry to five equivalent Pt2- atoms. There are three shorter (3.37 Å) and two longer (4.11 Å) Cs–Pt bond lengths. In the second Cs1+ site, Cs1+ is bonded to six equivalent Pt2- atoms to form a mixture of distorted edge, face, and corner-sharing CsPt6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cs–Pt bond lengths are 3.95 Å. Pt2- is bonded in a 3-coordinate geometry to eleven Cs1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3Pt by Materials Project

Cs3Pt is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded in a distorted square co-planar geometry to four equivalent Pt atoms. All Cs–Pt bond lengths are 4.09 Å. Pt is bonded to twelve equivalent Cs atoms to form a mixture of corner and face-sharing PtCs12 cuboctahedra.

36 MATERIALS SCIENCE↗