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Molybdenum Disilicide (MoSi2)

The molybdenum disilicide structure adopts a tetragonal lattice with a nineteen-atom basis.

Views of a single unit cell

The structure below is an equivalent representation of a single unit cell of MoSi2. Each unit cell contains nine Mo and ten Si atoms. However, visualizing some of the atoms in the neighboring unit cell conveys a better understanding of the crystal structure. In these structures, Mo is teal and Si is tan.

Views of Multiple Unit Cells

The MoSi2 crystal structure can be generated by periodically reproducing the unit cell. Below are shown a block of 4 (2x2x1) and 50 (5x5x2) unit cells. In this structures below, the crystal is oriented so that the computer monitor is parallel to the (001) plane.

Views of Multiple Unit Cells

Crystal structures of arbitrarily large size can be constructed.

Crystal Structure Layers (on edge)

Seen in the (110) plane, one clearly observes the layered structure of the crystal.

Crystal Structure Layers (from top)

Seen in the (001) plane, one clearly observes that the triangular arrangement of the atoms in each layers.

Single Layers

In these structures below, only a single slab of atoms of Mo (left) or Si (right) are shown in the (001) plane.


Sickafus, K. E. et al. Layered Atom Arrangements in Complex Materials, A Technical Report from Los Alamos National Laboratory, Los Alamos, New Mexico, LA-14205, April 2006.

posted: April, 2015.
updated: April, 2015.