Crystal Lattice Structures: Creation Date:  6 Oct 2002 Last Modified: 21 Apr 2009

# The HgCl2 (C25) Structure

You can now

• Strukturbericht Vol II gives the coordinates of the basis vectors in the orientation Pmcn. This is the same space group as Pnma, differening only by a rotation about the <111> axis. We've done that rotation here so that we can show the space group as Pnma.
• Correction (19 Feb 2003): There are 12 atoms in the primitive orthorhombic cell, so the Pearson Symbol is oP12, not oP16.

• Prototype: HgCl2
• Pearson Symbol: oP12
• Strukturbericht Designation: C25
• Space Group: Pnma (Cartesian and lattice coordinate listings available)
• Number: 62
• Reference: Strukturbericht, Vol II, p. 19.
• Other compounds with this structure: FeO2 (Goethite)
• Primitive Vectors:  A1 = a X A2 = b Y A3 = c Z
• Basis Vectors:  B1 = + x1 A1 + ¼ A2 + z1 A3 = + x1 a Y + ¼ b Y + z1 c Z (Hg) (4c) B2 = + (½ + x1) A1 + ¼ A2 + (½ - z1) A3 = + (½ + x1) a Y + ¼ b Y + (½ - z1) c Z (Hg) (4c) B3 = - x1 A1 - ¼ A2 - z1 A3 = - x1 a Y - ¼ b Y - z1 c Z (Hg) (4c) B4 = + (½ - x1) A1 - ¼ A2 + (½ + z1) A3 = + (½ - x1) a Y - ¼ b Y + (½ + z1) c Z (Hg) (4c) B5 = + x2 A1 + ¼ A2 + z2 A3 = + x2 a Y + ¼ b Y + z2 c Z (Cl-I) (4c) B6 = + (½ + x2) A1 + ¼ A2 + (½ - z2) A3 = + (½ + x2) a Y + ¼ b Y + (½ - z2) c Z (Cl-I) (4c) B7 = - x2 A1 - ¼ A2 - z2 A3 = - x2 a Y - ¼ b Y - z2 c Z (Cl-I) (4c) B8 = + (½ - x2) A1 - ¼ A2 + (½ + z2) A3 = + (½ - x2) a Y - ¼ b Y + (½ + z2) c Z (Cl-I) (4c) B9 = + x3 A1 + ¼ A2 + z3 A3 = + x3 a Y + ¼ b Y + z3 c Z (Cl-II) (4c) B10 = + (½ + x3) A1 + ¼ A2 + (½ - z3) A3 = + (½ + x3) a Y + ¼ b Y + (½ - z3) c Z (Cl-II) (4c) B11 = - x3 A1 - ¼ A2 - z3 A3 = - x3 a Y - ¼ b Y - z3 c Z (Cl-II) (4c) B12 = + (½ - x3) A1 - ¼ A2 + (½ + z3) A3 = + (½ - x3) a Y - ¼ b Y + (½ + z3) c Z (Cl-II) (4c)

Go back to the IIIb-VIIb Structures page.

Go back to Crystal Lattice Structure page.

 Structures indexed by: This is a mirror of an old page created at theNaval Research LaboratoryCenter for Computational Materials ScienceThe 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).