Crystal Lattice Structures:	Creation Date:  5 Jun 2006
	Last Modified:  5 Jun 2006

Fe₇W₆ (D8₅) Crystal Structure

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• Prototype: Fe₇W₆
• Strukturbericht Designation: D8₅
• Pearson Symbol: hR13
• Space Group: R3m (Cartesian and lattice coordinate listings available)
• Number: 166
• Reference: Villars and Calvert, Pearson's Handbook, Vol. III, p. 3415
• Other compounds with this structure: Co₇Mo₆ Co₆Mo₇ Co₇W₆ Co₆Re₆Si Fe₆Ta₇ Fe₇Nb₆ Fe₇Mo₆ Fe₇Ta₆ Ta₆Zn₇ Mn₆Si₇, and more
• Primitive Vectors:
  
  a and c are the lattice constants of the equivalent hexagonal unit cell.
  
  

  A1	=	+ ½ a X - ½ 3-½ a Y + 1/3 c Z
  A3	=	+ 3-½ a Y + 1/3 c Z
  A2	=	- ½ a X - ½ 3-½ a Y + 1/3 c Z

• Basis Vectors:

  B1	=		0		(Fe-I)	(1a)
  B2	=	+ xI (A1 + A2 + A3)	=	+ xI c Z	(W-I)	(2c)
  B3	=	- xI (A1 + A2 + A3)	=	- xI c Z	(W-I)	(2c)
  B4	=	+ xII (A1 + A2 + A3)	=	+ xII c Z	(W-II)	(2c)
  B5	=	- xII (A1 + A2 + A3)	=	- xII c Z	(W-II)	(2c)
  B6	=	+ xIII (A1 + A2 + A3)	=	+ xIII c Z	(W-III)	(2c)
  B7	=	- xIII (A1 + A2 + A3)	=	- xIII c Z	(W-III)	(2c)
  B8	=	+ (zFe - xFe) A1 + (2 xFe + zFe) A2 + (zFe - xFe) A3	=	+ 3½ xFe a Y + zFe c Z	(Fe-II)	(6h)
  B9	=	+ (zFe - xFe) A1 + (zFe - xFe) A2 + (2 xFe + zFe) A3	=	- 3/2 xFe a X - 3½/2 xFe a Y + zFe c Z	(Fe-II)	(6h)
  B10	=	+ (2 xFe + zFe) A1 + (zFe - xFe) A2 + (zFe - xFe) A3	=	+ 3/2 xFe a X - 3½/2 xFe a Y + zFe c Z	(Fe-II)	(6h)
  B11	=	- (zFe - xFe) A1 - (2 xFe + zFe) A2 - (zFe - xFe) A3	=	- 3½ xFe a Y - zFe c Z	(Fe-II)	(6h)
  B12	=	- (zFe - xFe) A1 - (zFe - xFe) A2 - (2 xFe + zFe) A3	=	+ 3/2 xFe a X + 3½/2 xFe a Y - zFe c Z	(Fe-II)	(6h)
  B13	=	- (2 xFe + zFe) A1 - (zFe - xFe) A2 - (zFe - xFe) A3	=	- 3/2 xFe a X + 3½/2 xFe a Y - zFe c Z	(Fe-II)	(6h)

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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).