Crystal Lattice Structures:	Creation Date:  5 Mar 1999
	Last Modified: 21 Oct 2004

The B₆Ca (D2₁) 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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• In B₆Ca we find x = 0.207.

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• Prototype: B₆Ca
• Pearson Symbol: cP7
• Strukturbericht Designation: D2₁
• Space Group: Pm3m (Cartesian and lattice coordinate listings available)
• Number: 221
• Primitive Vectors:

  A1	=	a X
  A2	=	a Y
  A3	=	a Z

• Basis Vectors:

  B1	=		0		(Ca)	(1a)
  B2	=	+ x A1 + ½ A2 + ½ A3	=	+ x aX + ½ aY + ½ aZ	(B)	(6f)
  B3	=	- x A1 + ½ A2 + ½ A3	=	- x aX + ½ aY + ½ aZ	(B)	(6f)
  B4	=	+ ½ A1 + x A2 + ½ A3	=	+ ½ aX + x aY + ½ aZ	(B)	(6f)
  B5	=	+ ½ A1 - x A2 + ½ A3	=	+ ½ aX - x aY + ½ aZ	(B)	(6f)
  B6	=	+ ½ A1 + ½ A2 + x A3	=	+ ½ aX + ½ aY + x aZ	(B)	(6f)
  B7	=	+ ½ A1 + ½ A2 - x A3	=	+ ½ aX + ½ aY - x aZ	(B)	(6f)

See the vectors in LaTeX output format.

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Go back to the IIIb-VIIb Structures page.

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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).