The Nickel Arsenide (B8₁) Structure

Last modified 5 April 2001

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• Prototype: NiAs
• Pearson Symbol: hP4
• Strukturbericht Designation: B8₁
• Space Group: P6₃mc (Cartesian and lattice coordinate listings available). Westbrook and Fleischer give this as P6₃mmc. The space group becomes P6₃/mmc (#194) when u = 0. In this case the Ni atoms are on inversion sites.
• Number: 186
• Other Compounds with this Structure: AuSn, CoTe, CrSe, CuSn, FeS, IrS, MnAs, NiSn, PdSb, PtB, RhSn, VP, ZrTe

  Note that the stacking is ABACABAC, with the Ni atoms on the A sites and As on B and C. The environment of the Ni atoms is fcc-like, and the environment of the As atoms is hcp-like.
  
  

• Primitive Vectors:
  • A₁ = ½ a X - ½ 3^1/2 a Y
  • A₂ = ½ a X + ½ 3^1/2 a Y
  • A₃ = c Z
• Basis Vector:
  • B₁ = 0 (Ni)
  • B₂ = ½ A₃ = ½ c Z (Ni)
  • B₃ = 1/3 A₁ + 2/3 A₂ + (¼ + u) A₃ = ½ a X + ½ 3^-1/2 a Y + (¼ + u) c Z (As)
  • B₄ = 2/3 A₁ + 1/3 A₂ + (¾ + u) A₃ = ½ a X - ½ 3^-1/2 a Y + (¾ + u) c Z (As)

See these vectors in a better notation.

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