Crystal Lattice Structures:	Creation Date: 25 Sep 2001
	Last Modified: 21 Oct 2004

The B₂Pd₅ 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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• We follow Pearson's Handbook and use the B2/b form of space group 15, with a ``unique b axis'' for the full monoclinic unit cell. We list coordinates in the base-centered monoclinic unit cell.

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• Prototype: B₂Pd₅
• Pearson Symbol: mC28
• Space Group: B2/b (Cartesian and lattice coordinate listings available)
• Number: 15
• Other compounds with this structure: C₂Fe₅ (Hagg Carbide), Au₂Ca₅, Ir₂La₅, Ho₂Lu₅, Ru₂Y₅, many others.
• Primitive Vectors:

  A1	=	½ a X + ½ b Y
  A2	=	½ a X - ½ b Y
  A3	=	c cos(β) X + c sin(β) Z

• Basis Vectors:

  B1 =	- y1 A1 + y1 A2 + ¼ A3	=	+ ¼ c cos(β) X + b y1 Y + ¼ c sin(β) Z	(4e)	(PdI)
  B2 =	+ y1 A1 - y1 A2 + ¾ A3	=	+ ¾ c cos(β) X - b y1 Y + ¾ c sin(β) Z	(4e)	(PdI)
  B3 =	+ (x2 - y2) A1 + (x2 + y2) A2 + z2 A3	=	+ [a x2 + c z2 cos(β)] X + b y2 Y + c z2 sin(β) Z	(8f)	(B)
  B4 =	- (x2 + y2) A1 + (y2 - x2) A2 + (½ - z2) A3	=	- [a x2 - c (½ - z2) cos(β)] X + b y2 Y + c (½ - z2) sin(β) Z	(8f)	(B)
  B5 =	+ (y2 - x2) A1 - (x2 + y2) A2 - z2 A3	=	- [a x2 + c z2 cos(β)] X - b y2 Y - c z2 sin(β) Z	(8f)	(B)
  B6 =	+ (x2 + y2) A1 + (x2 - y2) A2 - (½ - z2) A3	=	+ [a x2 - c (½ - z2) cos(β)] X - b y2 Y - c (½ - z2) sin(β) Z	(8f)	(B)
  B7 =	+ (x3 - y3) A1 + (x3 + y3) A2 + z3 A3	=	+ [a x3 + c z3 cos(β)] X + b y3 Y + c z3 sin(β) Z	(8f)	(PdII)
  B8 =	- (x3 + y3) A1 + (y3 - x3) A2 + (½ - z3) A3	=	- [a x3 - c (½ - z3) cos(β)] X + b y3 Y + c (½ - z3) sin(β) Z	(8f)	(PdII)
  B9 =	+ (y3 - x3) A1 - (x3 + y3) A2 - z3 A3	=	- [a x3 + c z3 cos(β)] X - b y3 Y - c z3 sin(β) Z	(8f)	(PdII)
  B10 =	+ (x3 + y3) A1 + (x3 - y3) A2 - (½ - z3) A3	=	+ [a x3 - c (½ - z3) cos(β)] X - b y3 Y - c (½ - z3) sin(β) Z	(8f)	(PdII)
  B11 =	+ (x4 - y4) A1 + (x4 + y4) A2 + z4 A3	=	+ [a x4 + c z4 cos(β)] X + b y4 Y + c z4 sin(β) Z	(8f)	(PdIII)
  B12 =	- (x4 + y4) A1 + (y4 - x4) A2 + (½ - z4) A3	=	- [a x4 - c (½ - z4) cos(β)] X + b y4 Y + c (½ - z4) sin(β) Z	(8f)	(PdIII)
  B13 =	+ (y4 - x4) A1 - (x4 + y4) A2 - z4 A3	=	- [a x4 + c z4 cos(β)] X - b y4 Y - c z4 sin(β) Z	(8f)	(PdIII)
  B14 =	+ (x4 + y4) A1 + (x4 - y4) A2 - (½ - z4) A3	=	+ [a x4 - c (½ - z4) cos(β)] X - b y4 Y - c (½ - z4) sin(β) Z	(8f)	(PdIII)

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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).