Crystal Lattice Structures:	Creation Date: 26 Jun 2006
	Last Modified: 26 Jun 2006

The BaS₃ (D0₁₇) 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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• Not to be confused with the other BaS₃ structure, which has space group P2₁2₁2 (#18).

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• Prototype: BaS₃
• Pearson Symbol: tP8
• Strukturbericht Designation: D0_17
• Space Group: P42₁m (Cartesian and lattice coordinate listings available)
• Number: 113
• Reference: Pearson's Handbook, Vol. II, p. 4294.
• Other Compounds with this Structure: AgDyTe₂, AgHgTe₂, AgErTe₂, AgTe₂Tm, AgGdTe₂, AgTe₂Y, BaSe₃, BaTe₃
• Primitive Vectors:

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

• Basis Vector:

  B1	=		0		(Ba)	(2a)
  B2	=	½ A1 + ½ A2	=	½ a X + ½ a Y	(Ba)	(2a)
  B3	=	½ A2 + z1 A3	=	½ a Y + z1 c Z	(S-I)	(2c)
  B4	=	½ A1 - z1 A3	=	½ a X - z1 c Z	(S-I)	(2c)
  B5	=	+ x2 A1 + (½ + x2) A2 + z2 A3	=	+ x2 a X + (½ + x2) a Y + z2 c Z	(S-II)	(4e)
  B6	=	- x2 A1 + (½ - x2) A2 + z2 A3	=	- x2 a X + (½ - x2) a Y + z2 c Z	(S-II)	(4e)
  B7	=	+ (½ + x2) A1 - x2 A2 - z2 A3	=	+ (½ + x2) a X - x2 a Y - z2 c Z	(S-II)	(4e)
  B8	=	+ (½ - x2) A1 + x2 A2 - z2 A3	=	+ (½ - x2) a X + x2 a Y - z2 c Z	(S-II)	(4e)

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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).