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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsPrS2 by Materials Project

CsPrS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Cs–S bond lengths are 3.53 Å. Pr3+ is bonded to six equivalent S2- atoms to form edge-sharing PrS6 octahedra. All Pr–S bond lengths are 2.90 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Pr3+ atoms to form a mixture of distorted edge, corner, and face-sharing SCs3Pr3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsPrS2 by Materials Project

CsPrS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Cs–S bond lengths are 3.54 Å. Pr3+ is bonded to six equivalent S2- atoms to form edge-sharing PrS6 octahedra. All Pr–S bond lengths are 2.90 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing SCs3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗