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

The NiSSb (F0₁) Structure (Ullmanite)

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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• Removing any one of the atom species reduces this to the FeSi (B20) or CO (B21) structure.

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• Prototype: NiSSb (Ullmanite)
• Pearson Symbol: cP12
• Strukturbericht Designation: F0₁
• Space Group: P2₁3 (Cartesian and lattice coordinate listings available)
• Number: 198
• Other Compounds with this Structure: AsBaPt, AsPd S, BiIrS, BiRhSe, CaPtSi, CrPtSb, EuPtSi, IrLaSi, IrSbSe, many others
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	x1A1 + x1A2 + x1A1	=	x1 aX + x1 aY + x1 aZ	(Ni)	(4a)
  B2	=	(½ + x1) A1 + (½ - x1) A2 - x1 A3	=	(½ + x1) aX + (½ - x1) aY - x1 aZ	(Ni)	(4a)
  B3	=	- x1 A1 + (½ + x1) A2 + (½ - x1) A3	=	- x1 aX + (½ + x1) aY + (½ - x1) aZ	(Ni)	(4a)
  B4	=	(½ - x1) A1 - x1 A2 + (½ + x1) A3	=	(½ - x1) aX - x1 aY + (½ + x1) aZ	(Ni)	(4a)
  B5	=	x2A1 + x2A2 + x2A1	=	x2 aX + x2 aY + x2 aZ	(S)	(4a)
  B6	=	(½ + x2) A1 + (½ - x2) A2 - x2 A3	=	(½ + x2) aX + (½ - x2) aY - x2 aZ	(S)	(4a)
  B7	=	- x2 A1 + (½ + x2) A2 + (½ - x2) A3	=	- x2 aX + (½ + x2) aY + (½ - x2) aZ	(S)	(4a)
  B8	=	(½ - x2) A1 - x2 A2 + (½ + x2) A3	=	(½ - x2) aX - x2 aY + (½ + x2) aZ	(S)	(4a)
  B9	=	x3A1 + x3A2 + x3A1	=	x3 aX + x3 aY + x3 aZ	(Sb)	(4a)
  B10	=	(½ + x3) A1 + (½ - x3) A2 - x3 A3	=	(½ + x3) aX + (½ - x3) aY - x3 aZ	(Sb)	(4a)
  B11	=	- x3 A1 + (½ + x3) A2 + (½ - x3) A3	=	- x3 aX + (½ + x3) aY + (½ - x3) aZ	(Sb)	(4a)
  B12	=	(½ - x3) A1 - x3 A2 + (½ + x3) A3	=	(½ - x3) aX - x3 aY + (½ + x3) aZ	(Sb)	(4a)

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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).