Crystal Lattice Structures:	Creation Date: 14 Aug 2002
	Last Modified: 21 Oct 2004

The SeTl (B37) 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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• Pearson's Handbook lists SeTl as the prototype of the B37 structure, but does not list any internal coordinates. We therefore use the description of AlKTe₂.
• Removing the aluminum atoms (Wyckoff positions 4b) from this structure reduces it to Al₂Cu (C16).
• When c = a and x = ¼ the atoms are at the positions of the body-centered cubic (A2) lattice. For AlKTe₂, the c/a ratio is closer to that of the body-centered tetragonal αPa (A_a) structure.
• The D0_c and D0_c' structures have the same crystallographic structure, but c/a is closer to 2^½.

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• Prototype: SeTl (AlKTe₂)
• Pearson Symbol: tI16
• Strukturbericht Designation: B37
• Space Group: I4/mcm (Cartesian and lattice coordinate listings available)
• Number: 140
• Reference: Villars and Calvert, Pearson's Handbook, Vol. I, p. 891 (for AlKTe₂).
• Other compounds with this structure: AlKTe₂, AlNaSe₂, AlNaTe₂, GaNaTe₂, InKTe₂, InS₂Te, InNaTe₂, GaTe₂Tl
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	- ¼ A1 - ¼ A2 + ½ A3	=	+ ¼ c Z	(K)	(4a)
  B2	=	+ ¼ A1 + ¼ A2 - ½ A3	=	- ¼ c Z	(K)	(4a)
  B3	=	- ¼ A1 + ¼ A2 + ½ A3	=	½ a Y + ¼ c Z	(Al)	(4b)
  B4	=	+ ¼ A1 - ¼ A2 + ½ A3	=	½ a X + ¼ c Z	(Al)	(4b)
  B5	=	+ x A1 + (½ + x) A2	=	+ x a X + (½ + x) a Y	(Te)	(8h)
  B6	=	- x A1 + (½ - x) A2	=	- x a X + (½ - x) a Y	(Te)	(8h)
  B7	=	(½ - x) A1 + x A2	=	(½ - x) a X + x a Y	(Te)	(8h)
  B8	=	(½ + x) A1 - x A2	=	(½ + x) a X - x a Y	(Te)	(8h)

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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).