Materials Data on Ta27S50 by Materials Project

Kristin Persson
Ta27S50 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-seven inequivalent Ta+3.70+ sites. In the first Ta+3.70+ site, Ta+3.70+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Ta–S bond distances ranging from 2.46–2.55 Å. In the second Ta+3.70+ site, Ta+3.70+ is bonded to six S2- atoms to form...
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