Crystal Lattice Structures:	Creation Date: 29 Jun 1998
	Last Modified: 29 Nov 2010

The D0₁₉ (Ni₃Sn) 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)
• Some time ago it was pointed out to us that the LaTeX version of these positions was inaccurate, so we've removed that link from the main page.

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• Thanks are due to Thomas A. Adler of DoE's Albany Research Center for correcting the pictures and the structural information.
• When the internal parameter x = 5/6 exactly then the atoms are on the sites of an A3 (hcp) lattice with a_hcp = ½ a and c_hcp = c.
  29 Nov 2010: corrected from 1/6
  
• In Ni₃Sn and Ti₃Al the internal parameter x is approximately 5/6.

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• Prototype: Ni₃Sn
• Pearson Symbol: hP8
• Strukturbericht Designation: D0₁₉
• Space Group: P6₃/mmc (Cartesian and lattice coordinate listings available)
• Number: 194
• Other Compounds with this Structure: Ti₃Sn, Ti₃Al, Mn₃Sn, Cd₃Mg, Mg₃In, Hg₃Y
• Primitive Vectors:

  A1	=	½ a X - ½ 3½ a Y
  A2	=	½ a X + ½ 3½ 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	(Sn)	(2c)
  B2	=	2/3 A1 + 1/3 A2 + ¾ A3	=	½ a X - 12-½ a Y + ¾ c Z	(Sn)	(2c)
  B3	=	+ x A1 + 2x A2 + ¼ A3	=	+ 3/2 a x X + ½ 3½ a x Y + ¼ c Z	(Ni)	(6h)
  B4	=	- 2x A1 - x A2 + ¼ A3	=	- 3/2 a x X + ½ 3½ a x Y + ¼ c Z	(Ni)	(6h)
  B5	=	+ x A1 - x A2 + ¼ A3	=	- 3½ a x Y + ¼ c Z	(Ni)	(6h)
  B6	=	- x A1 - 2x A2 + ¾ A3	=	- 3/2 a x X - ½ 3½ a x Y + ¾ c Z	(Ni)	(6h)
  B7	=	+ 2x A1 + x A2 + ¾ A3	=	+ 3/2 a x X - ½ 3½ a x Y + ¾ c Z	(Ni)	(6h)
  B8	=	- x A1 + x A2 + ¾ A3	=	+ 3½ a x Y + ¾ c Z	(Ni)	(6h)

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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).