Crystal Lattice Structures:	Creation Date:  7 Sep 2002
	Last Modified: 13 Mar 2007

The C₃Pu₂ (D5_c) Structure

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• 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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• The Pu atoms are on the sites of the high-pressure cI16 Li structure.
• 30 Nov 2002: corrected the sign of the B₅ basis vector.

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• Prototype: C₃Pu₂
• Pearson Symbol: cI40
• Strukturbericht Designation: D5_c
• Space Group: I43d (Cartesian and lattice coordinate listings available)
• Number: 220
• Other compounds with this structure: Am₂C₃, C₃Ce₂, C₃Hf₂, Ru₂Y₃, C₃U₂, Er₃Ru₂, C₃Y₂, many others.
• 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 x1 A1 + 2 x1 A2 + 2 x1 A3	=	+ x1 a X + x1 a Y + x1 a Z	(Pu)	(16c)
  B2	=	+ ½ A1 + (½ - 2 x1) A3	=	- x1 a X + (½ - x1) a Y + x1 a Z	(Pu)	(16c)
  B3	=	+ (½ - 2 x1) A2 + ½ A3	=	+ (½ - x1) a X + x1 a Y - x1 a Z	(Pu)	(16c)
  B4	=	+ (½ - 2 x1) A1 + ½ A2	=	+ x1 a X - x1 a Y + (½ - x1) a Z	(Pu)	(16c)
  B5	=	+ (2 x1 - ½) A1 + (2 x1 - ½) A2 + (2 x1 - ½) A3	=	+ (x1 - ¼) a X + (x1 - ¼) a Y + (x1 - ¼) a Z	(Pu)	(16c)
  B6	=	+ ½ A1 - 2 x1 A3	=	- (¼ + x1) a X + (¼ - x1) a Y + (¼ + x1) a Z	(Pu)	(16c)
  B7	=	- 2 x1 A1 + ½ A2	=	+ (¼ + x1) a X - (¼ + x1) a Y + (¼ - x1) a Z	(Pu)	(16c)
  B8	=	- 2 x1 A2 + ½ A3	=	+ (¼ - x1) a X + (¼ + x1) a Y - (¼ + x1) a Z	(Pu)	(16c)
  B9	=	+ ¼ A1 + (x2 - ¾) A2 + x2 A3	=	+ (x2 -½) a X + ½ a Y - ¼ a Z	(C)	(24d)
  B10	=	- ¼ A1 + (¼ - x2) A2 + (½ - x2) A3	=	+ (½ - x2) a X - ¼ a Z	(C)	(24d)
  B11	=	+ x2 A1 + ¼ A2 + (x2 - ¾) A3	=	- ¼ a X + (x2 -½) a Y + ½ a Z	(C)	(24d)
  B12	=	+ (½ - x2) A1 - ¼ A2 + (¼ - x2) A3	=	- ¼ a X + (½ - x2) a Y	(C)	(24d)
  B13	=	+ (x2 - ¾) A1 + x2 A2 + ¼ A3	=	+ ½ a X - ¼ a Y + (x2 -½) a Z	(C)	(24d)
  B14	=	+ (¼ - x2) A1 + (½ - x2) A2 - ¼ A3	=	- ¼ a Y + (½ - x2) a Z	(C)	(24d)
  B15	=	+ (x2 - ¼) A1 - ¼ A2 + (x2 - ½) A3	=	- ¼ a X + (x2 - ¼) a Y	(C)	(24d)
  B16	=	+ (¾ - x2) A1 + ¼ A2 - x2 A3	=	- ¼ a X + (¼ - x2) a Y + ½ a Z	(C)	(24d)
  B17	=	- ¼ A1 + (x2 - ½) A2 + (x2 - ¼) A3	=	+ (x2 - ¼) a X - ¼ a Z	(C)	(24d)
  B16	=	+ ¼ A1 - x2 A2 + (¾ - x2) A3	=	+ (¼ - x2) a X + ½ a Y - ¼ a Z	(C)	(24d)
  B19	=	+ (x2 - ½) A1 + (x2 - ¼) A2 - ¼ A3	=	- ¼ a Y + (x2 - ¼) a Z	(C)	(24d)
  B20	=	- x2 A1 + (¾ - x2) A2 + ¼ A3	=	+ ½ a X - ¼ a Y + (¼ - x2) a Z	(C)	(24d)

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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).