Crystal Lattice Structures:	Creation Date: 16 Oct 2002
	Last Modified: 21 Oct 2004

The MoS₂ (C7) Crystal Structure

You can now

• see the structure from several perspectives;
• examine the structure with an external viewer; or
• download the coordinates of the atoms in these pictures in XYZ format.
• visualize the structure (Uses the JMOL Applet)

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• Note that the stacking here is BABABA, where the layers in red are the Mo atoms.

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• Prototype: MoS₂
• Pearson Symbol: hP6
• Strukturbericht Designation: C7
• Space Group: P6₃/mmc (Cartesian and lattice coordinate listings available)
• Number: 194
• Reference: Strukturbericht, Vol. I, p 164. Positions from Villars and Calvert, Pearson's Handbook.
• Other Compounds with this Structure: AlS₆Ta₃, CdS₂Ta, BPt₂, MoSe₂, MoTe₂, NbSe₂, S₂Ta, S₂W, Se₂Ta, Se₂W, Te₂W, many more.
• Primitive Vectors:

  A1	=	½ a X - ½ 31/2 a Y
  A2	=	½ a X + ½ 31/2 a Y
  A3	=	c Z

• Basis Vectors:

  B1	=	1/3 A1 + 2/3 A2 + ¼ A3	=	½ a X + 12-½ a Y + ¼ c Z	(Mo)	(2c)
  B2	=	2/3 A1 + 1/3 A2 + ¾ A3	=	½ a X - 12-½ a Y + ¾ c Z	(Mo)	(2c)
  B3	=	1/3 A1 + 2/3 A2 + z A3	=	½ a X + 12-½ a Y + z c Z	(S)	(4f)
  B4	=	2/3 A1 + 1/3 A2 + (½ + z) A3	=	½ a X - 12-½ a Y + (½ + z) c Z	(S)	(4f)
  B5	=	1/3 A1 + 2/3 A2 + (½ - z) A3	=	½ a X + 12-½ a Y + (½ - z) c Z	(S)	(4f)
  B6	=	2/3 A1 + 1/3 A2 - z A3	=	½ a X - 12-½ a Y - z c Z	(S)	(4f)

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Structures indexed by: Strukturbericht Symbol Pearson Symbol Space Group Prototype

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