Crystal Lattice Structures:	Creation Date: 11 Jun 2006
	Last Modified: 11 Jun 2006

The H₃Ho Structure

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• see the structure from several perspectives;
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• download the coordinates of the atoms in these pictures in XYZ format.
• visualize the structure (Uses the JMOL Applet)

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• As with all compounds involving Hydrogen, structural determinations were made with Deuterium.
• The (12g) sites are the general sites of spacegroup P3c1.

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• Prototype: H₃Ho
• Pearson Symbol: hP24
• Space Group: P3c1 (Cartesian and lattice coordinate listings available)
• Number: 165
• References:
  • Pearson's Alloys p. 358.
  • Pearson's Handbook, Vol. III, p. 3829.
• Other Compounds with this Structure: H₃Dy, H₃Er, H₃Gd, H₃Lu, H₃Sm, H₃Tb, H₃Tm, H₃Y, AuCu₃, AuMg₃, Cu₃P
• Primitive Vectors:

  A1	=	½ a X - ½ 3½ a Y
  A2	=	½ a X + ½ 3½ a Y
  A3	=	c Z

• Basis Vectors:

  B1	=	¼ A3	=	¼ c Z	(2a)	(H-I)
  B2	=	¾ A3	=	¾ c Z	(2a)	(H-I)
  B3	=	1/3 A1 + 2/3 A2 + zII A3	=	½ a X + 12-½ a Y + zII c Z	(4d)	(H-II)
  B4	=	2/3 A1 + 1/3 A2 + (½ - zII) A3	=	½ a X - 12-½ a Y + (½ - zII) c Z	(4d)	(H-II)
  B5	=	2/3 A1 + 1/3 A2 - zII A3	=	½ a X - 12-½ a Y - zII c Z	(4d)	(H-II)
  B6	=	1/3 A1 + 2/3 A2 + (½ + zII) A3	=	½ a X + 12-½ a Y + (½ + zII) c Z	(4d)	(H-II)
  B7	=	+ xIII A1 + ¼ A3	=	+ ½ xIII a X - ½ xIII 3½ a Y + ¼ c Z	(6f)	(Ho)
  B8	=	+ xIII A2 + ¼ A3	=	+ ½ xIII a X + ½ xIII 3½ a Y + ¼ c Z	(6f)	(Ho)
  B9	=	- xIII A1 - xIII A2 + ¼ A3	=	- xIII a X + ¼ c Z	(6f)	(Ho)
  B10	=	- xIII A1 + ¾ A3	=	- ½ xIII a X + ½ xIII 3½ a Y + ¾ c Z	(6f)	(Ho)
  B11	=	- xIII A2 + ¾ A3	=	- ½ xIII a X - ½ xIII 3½ a Y + ¾ c Z	(6f)	(Ho)
  B12	=	+ xIII A1 + xIII A2 + ¾ A3	=	+ xIII a X + ¾ c Z	(6f)	(Ho)
  B13	=	+ xIV A1 + yIV A2 + zIV A3	=	+ ½ (xIV + yIV) a X + ½ 3½ (yIV - xIV) a Y + zIV c Z	(12g)	(H-III)
  B14	=	- yIV A1 + (xIV - yIV) A2 + zIV A3	=	+ ½ (xIV - 2 yIV) a X + ½ 3½ xIV a Y + zIV c Z	(12g)	(H-III)
  B15	=	+ (yIV - xIV) A1 - xIV A2 + zIV A3	=	+ ½ (yIV - 2 xIV) a X - ½ 3½ yIV a Y + zIV c Z	(12g)	(H-III)
  B16	=	+ yIV A1 + xIV A2 + (½-zIV) A3	=	+ ½ (xIV + yIV) a X + ½ 3½ (xIV - yIV) a Y + (½-zIV) c Z	(12g)	(H-III)
  B17	=	+ (xIV - yIV) A1 - yIV A2 + (½-zIV) A3	=	+ ½ (xIV - 2 yIV) a X - ½ 3½ xIV a Y + (½-zIV) c Z	(12g)	(H-III)
  B18	=	- xIV A1 + (yIV - xIV) A2 + (½-zIV) A3	=	+ ½ (yIV - 2 xIV) a X + ½ 3½ yIV a Y + (½-zIV) c Z	(12g)	(H-III)
  B19	=	- xIV A1 - yIV A2 - zIV A3	=	- ½ (xIV + yIV) a X - ½ 3½ (yIV - xIV) a Y - zIV c Z	(12g)	(H-III)
  B20	=	+ yIV A1 - (xIV - yIV) A2 - zIV A3	=	- ½ (xIV - 2 yIV) a X - ½ 3½ xIV a Y - zIV c Z	(12g)	(H-III)
  B21	=	- (yIV - xIV) A1 + xIV A2 - zIV A3	=	- ½ (yIV - 2 xIV) a X + ½ 3½ yIV a Y - zIV c Z	(12g)	(H-III)
  B22	=	- yIV A1 - xIV A2 + (½+zIV) A3	=	- ½ (xIV + yIV) a X - ½ 3½ (xIV - yIV) a Y + (½+zIV) c Z	(12g)	(H-III)
  B23	=	- (xIV - yIV) A1 + yIV A2 + (½+zIV) A3	=	- ½ (xIV - 2 yIV) a X + ½ 3½ xIV a Y + (½+zIV) c Z	(12g)	(H-III)
  B24	=	+ xIV A1 - (yIV - xIV) A2 + (½+zIV) A3	=	- ½ (yIV - 2 xIV) a X - ½ 3½ yIV a Y + (½+zIV) c Z	(12g)	(H-III)

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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).