Crystal Lattice Structures:	Creation Date: 18 Sep 2001
	Last Modified: 21 Oct 2004

The CMo 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)

---

• Note that all of the atoms sit on close packed <0001> planes. The stacking sequence may be written
  
  

  Atom

  Mo-II

  C-II

  C-I

  C-II

  Mo-II

  Mo-I

  Mo-II

  C-II

  C-I

  C-II

  Mo-II

  Mo-I

  Position

  B

  C

  A

  B

  C

  A

  C

  B

  A

  C

  B

  A

  
  Thus the Mo-II atoms and all of the C atoms are always in an fcc-like local environment, while the Mo-I atoms are in an hcp-like local environment.

---

• Prototype: CMo
• Pearson Symbol: hP12
• Space Group: P6₃/mmc (Cartesian and lattice coordinate listings available)
• Number: 194
• Other compounds with this structure: CRe, C₂GeTi₃
  MAX phases: C₂SiTi₃, AlC₂Ti₃, others.
• 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  =			0			(C-I)	(2a)
  B2  =	½ A3		=	½ c Z		(C-I)	(2a)
  B3  =	¼ A3		=	¼ c Z		(Mo-I)	(2b)
  B4  =	¾ A3		=	¾ c Z		(Mo-I)	(2b)
  B5  =	2/3 a A1  + 1/3 a A1  -	zC A3	=	½ a X + ½ 3-1/2 a Y -	zC   c Z	(C-II)	(4f)
  B6  =	1/3 a A1  + 2/3 a A1  +	zC A3	=	½ a X - ½ 3-1/2 a Y +	zC   c Z	(C-II)	(4f)
  B7  =	1/3 a A1  + 2/3 a A1  +	(½ - zC) A3	=	½ a X + ½ 3-1/2 a Y +	(½ - zC) c Z	(C-II)	(4f)
  B8  =	2/3 a A1  + 1/3 a A1  +	(½ + zC) A3	=	½ a X - ½ 3-1/2 a Y +	(½ + zC) c Z	(C-II)	(4f)
  B9  =	2/3 a A1  + 1/3 a A1  -	zMo A3	=	½ a X + ½ 3-1/2 a Y -	zMo   c Z	(Mo-II)	(4f)
  B10  =	1/3 a A1  + 2/3 a A1  +	zMo A3	=	½ a X - ½ 3-1/2 a Y +	zMo   c Z	(Mo-II)	(4f)
  B11  =	1/3 a A1  + 2/3 a A1  +	(½ - zMo) A3	=	½ a X + ½ 3-1/2 a Y +	(½ - zMo) c Z	(Mo-II)	(4f)
  B12  =	2/3 a A1  + 1/3 a A1  +	(½ + zMo) A3	=	½ a X - ½ 3-1/2 a Y +	(½ + zMo) c Z	(Mo-II)	(4f)

---

Go back to the hexagonal close-packed structures page.

Go back to Crystal Lattice Structure page.

Structures indexed by: Strukturbericht Symbol Pearson Symbol Space Group Prototype

This is a mirror of an old page created at the Naval Research Laboratory Center for Computational Materials Science The maintained successor is hosted at http://www.aflowlib.org/CrystalDatabase/ and published as M. Mehl et al., Comput. Mater. Sci. 136 (Supp.), S1-S828 (2017).