Materials Data on Ta2MoS6 by Materials Project
Ta2MoS6 is Molybdenite-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Ta2MoS6 sheet oriented in the (0, 0, 1) direction. Ta5+ is bonded to six equivalent S2- atoms to form distorted TaS6 pentagonal pyramids that share edges with three equivalent TaS6 pentagonal pyramids and edges with three equivalent MoS6 pentagonal pyramids. All Ta–S bond lengths are 2.47 Å. Mo2+ is bonded to six equivalent S2- atoms to form distorted MoS6 pentagonal pyramids that share edges with six equivalent TaS6 pentagonal pyramids. All Mo–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Mo2+ atom.
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