Crystal Lattice Structures:	Creation Date:  6 Jun 1997
	Last Modified: 21 Oct 2004

The αGallium Crystal 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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• The orientation used here is the one described in Pearson's Handbook and is consistent with the description of the Cmca space group in the International Tables for Crystallography. Note that Pearson's Handbook, Wyckoff's Crystal Structures, and the original Strukturbericht article each use a different orientation for the Gallium crystal.
• Note, however, that Pearson's Handbook gives the information for an 8 atom orthorhombic cell. The unit cell described here is the 4 atom base-centered orthorhombic cell. The smaller cell is, of course, more efficient for electronic structure calculations.
• Compare this structure to I₂ (A14) and P (black). The only difference is the degree of dimerization.

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• Prototype: αGa
• Pearson Symbol: oC8
• Strukturbericht Designation: A11
• Space Group: Cmca (Cartesian and lattice coordinate listings available)
• Number: 64
• Reference: Villars and Calvert, Pearson's Handbook, vol. III, p. 3423.
• Primitive Vectors:

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

• Basis Vectors:
  
  All atoms are on (8f) sites:
  
  

  B1	=	- u A1 + u A2 + v A3	=	+ u b Y + v c Z
  B2	=	+ u A1 - u A2 - v A3	=	- u b Y - v c Z
  B3	=	- (½ + u) A1 + (½ + u) A2 + (½ - v) A3	=	(½ + u) b Y + (½ - v) c Z
  B4	=	- (½ - u) A1 + (½ - u) A2 + (½ + v) A3	=	(½ - u) b Y + (½ + v) c Z

See these vectors in LaTeX output format.

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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).