# What is the Crystal System of MoS2?

I'm confused about the crystal system of MoS2.

In the case of the monolayer MoS2, it has 3-fold rotation symmetry when viewed from the top of its unit cell (c-axis). Even in the case of bulk (AB stacking) MoS2, it has only 3-fold rotation symmetry from the same direction. So, I expected that it must be the trigonal system. However, 'Materials Projects' doesn't seem the trigonal system.

Here are some database from 'Material Projects'

List of MoS2

https://materialsproject.org/#search/materials/{%22reduced_cell_formula%22%3A%22MoS2%22}

Bulk MoS2

https://materialsproject.org/materials/mp-2815/

Bilayer MoS2

https://materialsproject.org/materials/mp-1025874/

and so on.

Some of them are the trigonal system, and the others are the hexagonal system. I studied the minimum symmetries determine the crystal system, or that is a misconception. But now, it might be wrong by the web data.

Which one is correct and if both are correct, how can I check the 6-fold rotation symmetry for the hexagonal system?

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This is the figure for the HCP structure. Its symmetry along the c-axis can be called 3/m or bar(6).

This view is the bulk MoS2 along c-axis. In the unit cell, it has two layers of MoS2. However, it has 6/mmm point group. How does this happend?... https://materialsproject.org/materials/mp-1018809/#

In both cases the coordination geometry around molybdenum has only threefold rotational symmetry, but in the hexagonal form the crystal will add a center of symmetry to become hexagonal. Such a conversion is seen in other cases such as hexagonal close-packed metals like magnesium and zinc, which actually have only threefold symmetry about any axis perpendicular to the basal plane and passing through an atom, yet the Crystal's are hexagonal. In general, when you have a unit cell with $$D_{3h}$$ symmetry -- a mirror plane perpendicular to the threefold exis -- you will get hexagonal crystals in both molybdenum disulfide and hexagonal close-packed metals.
The rhombohedral crystal, with a different arrangement of mirror planes (the point group symmetry is $$D_{3d}$$ instead of $$D_{3h}$$, and $$D_{3d}$$ has no mirror plane perpendicular to the threefold axis), has the required center of symmetry without going from threefold to sixfold rotational symmetry.