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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ta3PbS6 by Materials Project

Ta3PbS6 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta+3.33+ sites. In the first Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.50 Å. In the second Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. Pb2+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Pb–S bond lengths are 2.95 Å. S2- is bonded in a 4-coordinate geometry to three Ta+3.33+ and one Pb2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaPbS2 by Materials Project

TaPbS2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded to six equivalent S atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. Pb is bonded in a distorted linear geometry to two equivalent S atoms. Both Pb–S bond lengths are 2.96 Å. S is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta and one Pb atom.

36 MATERIALS SCIENCE↗