Crystal Lattice Structures:	Creation Date:  5 Apr 2000
	Last Modified:  6 May 2008

The β (high) Quartz Structure (C8)

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 the high-temperature phase of α quartz.
• Over the years, many people have told us that the coordinates and pictures drawn here were wrong. This turned out to be correct. We believe that the current setup is correct, and apologize for any confusion.
• The data here was taken a T = 848 K.

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• Prototype: βSiO₂
• Pearson Symbol: hP9
• Strukturbericht Designation: C8
• Space Group: P6₂22 (Cartesian and lattice coordinate listings available)
• Number: 180
• Reference: K. Khira, European Journal of Mineralogy, 2, 63-77 (1990), as referenced in the American Mineralogist Crystal Structure Database.
• Primitive Vectors:

  A1	=	½ a X - ½ 3½ a Y
  A2	=	½ a X + ½ 3½ a Y
  A3	=	c Z

• Basis Vectors:

  B1	=	½ A1	=	¼ a X - ¼ 3½ a Y	(Si)	(3c)
  B2	=	½ A2 + 2/3 A3	=	¼ a X + ¼ 3½ a Y + 2/3 c Z	(Si)	(3c)
  B3	=	½ A1 + ½ A2 + 1/3 A3	=	½ a X + 1/3 c Z	(Si)	(3c)
  B4	=	+ x A1 + 2 x A2 + ½ A3	=	+ 3/2 x a X + ½ 3½ x a Y + ½ c Z	(O)	(6j)
  B5	=	- 2 x A1 - x A2 + 1/6 A3	=	- 3/2 x a X + ½ 3½ x a Y + 1/6 c Z	(O)	(6j)
  B6	=	+ x A1 - x A2 + 5/6 A3	=	- 3½ x a Y + 5/6 c Z	(O)	(6j)
  B7	=	- x A1 - 2 x A2 + ½ A3	=	- 3/2 x a X - ½ 3½ x a Y + ½ c Z	(O)	(6j)
  B8	=	+ 2 x A1 + x A2 + 1/6 A3	=	+ 3/2 x a X + ½ 3½ x a Y + 1/6 c Z	(O)	(6j)
  B9	=	- x A1 + x A2 + 5/6 A3	=	+ 3½ x a Y + 5/6 c Z	(O)	(6j)

See the 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).