Crystal Lattice Structures:	Reference Date:  2 Jan 2003
	Last Modified: 21 Oct 2004

The BaHg₁₁ (D2_e) 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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• The three Ba atoms and the Hg-I atom form an L1₂ crystal. (Hint: recenter the origin on the Hg-I site.)
• We'll leave the Cartesian coordinates <-> lattice coordinates conversion to the reader.

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• Prototype: BaHg₁₁
• Pearson Symbol: cP36
• Strukturbericht Designation: D2_e
• Space Group: Pm3m (Cartesian and lattice coordinate listings available)
• Number: 221
• Reference: Pearson, Alloys, pp. 751-3.
• Other Compounds with this Structure: ``A number of Hg and Cd phases with Group I or IIA metals or rare earths.'' (Pearson's Alloys)
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	½ a X	(Ba)	(3d)
  B2	=	½ a Y	(Ba)	(3d)
  B3	=	½ a Z	(Ba)	(3d)
  B4	=	+ ½ a X + ½ a Y + ½ a Z	(Hg-I)	(1b)
  B5	=	+ x a X + x a Y + x a Z	(Hg-II)	(8g)
  B6	=	- x a X + x a Y + x a Z	(Hg-II)	(8g)
  B7	=	+ x a X - x a Y + x a Z	(Hg-II)	(8g)
  B8	=	+ x a X + x a Y - x a Z	(Hg-II)	(8g)
  B9	=	- x a X - x a Y - x a Z	(Hg-II)	(8g)
  B10	=	+ x a X - x a Y - x a Z	(Hg-II)	(8g)
  B11	=	- x a X + x a Y - x a Z	(Hg-II)	(8g)
  B12	=	- x a X - x a Y + x a Z	(Hg-II)	(8g)
  B13	=	+ y a Y + y a Z	(Hg-III)	(12i)
  B14	=	+ y a X + y a Z	(Hg-III)	(12i)
  B15	=	+ y a X + y a Y	(Hg-III)	(12i)
  B16	=	+ y a Y - y a Z	(Hg-III)	(12i)
  B17	=	+ y a X - y a Z	(Hg-III)	(12i)
  B18	=	+ y a X - y a Y	(Hg-III)	(12i)
  B19	=	- y a Y - y a Z	(Hg-III)	(12i)
  B20	=	- y a X - y a Z	(Hg-III)	(12i)
  B21	=	- y a X - y a Y	(Hg-III)	(12i)
  B22	=	- y a Y + y a Z	(Hg-III)	(12i)
  B23	=	- y a X + y a Z	(Hg-III)	(12i)
  B24	=	- y a X + y a Y	(Hg-III)	(12i)
  B25	=	+ ½ a X + z a Y + z a Z	(Hg-IV)	(12j)
  B26	=	+ z a X + ½ a Y + z a Z	(Hg-IV)	(12j)
  B27	=	+ z a X + z a Y + ½ a Z	(Hg-IV)	(12j)
  B28	=	+ ½ a X + z a Y - z a Z	(Hg-IV)	(12j)
  B29	=	+ z a X + ½ a Y - z a Z	(Hg-IV)	(12j)
  B30	=	+ z a X - z a Y + ½ a Z	(Hg-IV)	(12j)
  B31	=	+ ½ a X - z a Y - z a Z	(Hg-IV)	(12j)
  B32	=	- z a X + ½ a Y - z a Z	(Hg-IV)	(12j)
  B33	=	- z a X - z a Y + ½ a Z	(Hg-IV)	(12j)
  B34	=	+ ½ a X - z a Y + z a Z	(Hg-IV)	(12j)
  B35	=	- z a X + ½ a Y + z a Z	(Hg-IV)	(12j)
  B36	=	- z a X + z a Y + ½ a Z	(Hg-IV)	(12j)

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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).