Crystal Lattice Structures:	Creation Date: 30 Nov 2002
	Last Modified: 21 Oct 2004

The cI16 Li 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 high pressure phase of Lithium. For details, see Hanfland et al..
• When x = 0 this structure becomes a body-centered cubic (A2) crystal.

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• Prototype: Li
• Pearson Symbol: cI16
• Space Group: I43d (Cartesian and lattice coordinate listings available)
• Number: 220
• Reference: Hanfland et al., Nature 408, 174 (2000).
• Other elements with this structure: Na (under pressure)
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	+ 2 x A1 + 2 x A2 + 2 x A3	=	+ x a X + x a Y + x a Z	(Li)	(16c)
  B2	=	+ (2 x - ½) A1 + (2 x - ½) A2 + (2 x - ½) A3	=	+ (x - ¼) a X + (x - ¼) a Y + (x - ¼) a Z	(Li)	(16c)
  B3	=	+ (½ - 2 x) A1 + ½ A2	=	+ x a X - x a Y + (½ - x) a Z	(Li)	(16c)
  B4	=	- 2 x A1 + ½ A2	=	+ (¼ + x) a X - (¼ + x) a Y + (¼ - x) a Z	(Li)	(16c)
  B5	=	+ (½ - 2 x) A2 + ½ A3	=	+ (½ - x) a X + x a Y - x a Z	(Li)	(16c)
  B6	=	- 2 x A2 + ½ A3	=	+ (¼ - x) a X + (¼ + x) a Y - (¼ + x) a Z	(Li)	(16c)
  B7	=	+ ½ A1 + (½ - 2 x) A3	=	- x a X + (½ - x) a Y + x a Z	(Li)	(16c)
  B8	=	+ ½ A1 - 2 x A3	=	- (¼ + x) a X + (¼ - x) a Y + (¼ + x) a Z	(Li)	(16c)

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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).