Crystal Lattice Structures:	Creation Date: 23 Dec 1997
	Last Modified: 21 Oct 2004

The Ga₂Hf 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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• This is a body centered tetragonal lattice. Ga-II atoms are in the same (001) plane with the Hf atoms when z₂ + z₃ = ½.
• When z₁ = 1/4, z₂ = 5/12, and z₃ = 1/12, the atoms are on the sites of the Indium (A6) lattice. If, in this case, c = 6a, the atoms are on the sites of a face-centered cubic lattice, and if c = 6 a/sqrt(2), the atoms are on the site of a body-centered cubic lattice. This lattice is placed with the face-centered cubic lattices because most known structures have c near 6a.

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• Prototype: Ga₂Hf
• Pearson Symbol: tI24
• Space Group: I4₁/amd (Cartesian and lattice coordinate listings available)
• Number: 141
• Other compounds with this structure: Al₂Mg, Al₂Ti, Ga₂Ti, In₂Zr, Pb₂Pr, Pb₂Pu, PuSn₂
• Primitive Vectors:

  A1	=	a X
  A2	=	a Y
  A3	=	½ a X + ½ a Y + ½ c Z

• Basis Vectors:

  B1	=	+ z1 c Z	=	- z1 A1 - z1 A2 + 2 z1 A3	(Ga-I)	(8e)
  B2	=	- z1 c Z	=	+ z1 A1 + z1 A2 - 2 z1 A3	(Ga-I)	(8e)
  B3	=	½ a Y + (¼ + z1) c Z	=	- (¼ + z1) A1 + (¼ - z1) A2 + (½ + 2 z1) A3	(Ga-I)	(8e)
  B4	=	½ a Y + (¼ - z1) c Z	=	- (¼ - z1) A1 + (¼ + z1) A2 + (½ - 2 z1) A3	(Ga-I)	(8e)
  B5	=	+ z2 c Z	=	- z2 A1 - z2 A2 + 2 z2 A3	(Ga-II)	(8e)
  B6	=	- z2 c Z	=	+ z2 A1 + z2 A2 - 2 z2 A3	(Ga-II)	(8e)
  B7	=	½ a Y + (¼ + z2) c Z	=	- (¼ + z2) A1 + (¼ - z2) A2 + (½ + 2 z2) A3	(Ga-II)	(8e)
  B8	=	½ a Y + (¼ - z2) c Z	=	- (¼ - z2) A1 + (¼ + z2) A2 + (½ - 2 z2) A3	(Ga-II)	(8e)
  B9	=	+ z3 c Z	=	- z3 A1 - z3 A2 + 2 z3 A3	(Hf)	(8e)
  B10	=	- z3 c Z	=	+ z3 A1 + z3 A2 - 2 z3 A3	(Hf)	(8e)
  B11	=	½ a Y + (¼ + z3) c Z	=	- (¼ + z3) A1 + (¼ - z3) A2 + (½ + 2 z3) A3	(Hf)	(8e)
  B12	=	½ a Y + (¼ - z3) c Z	=	- (¼ - z3) A1 + (¼ + z3) A2 + (½ - 2 z3) A3	(Hf)	(8e)

See these vectors in LaTeX output format.

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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).