Crystal Lattice Structures:	Creation Date:  7 Oct 2002
	Last Modified: 21 Oct 2004

The AsK₃S₄ 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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• There is only one Wyckoff position for space group Pna2₁, the (4a) site.
• The unit cell in the picture above as been shifted to put one of the As atoms on the corners, just so you can see the boundaries of the unit cell.
• We'll leave the conversion of the basis vectors from Cartesian to lattice coordinates as an exercise for the reader.

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• Prototype: AsK₃S₄
• Pearson Symbol: oP32
• Space Group: Pna2₁ (Cartesian and lattice coordinate listings available)
• Number: 33
• Reference: Villars and Calvert (Pearson's Handbook), Vol I, p. 1164.
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	+ x1 a X	+ y1 b Y	+ z1 c Z	(As)	(4a)
  B2	=	- x1 a X	- y1 b Y	+ (½ + z1) c Z	(As)	(4a)
  B3	=	(½ + x1) a X	+ (½ - y1) b Y	+ z1 c Z	(As)	(4a)
  B4	=	(½ - x1) a X	+ (½ + y1) b Y	+ (½ + z1) c Z	(As)	(4a)
  B5	=	+ x2 a X	+ y2 b Y	+ z2 c Z	(K-I)	(4a)
  B6	=	- x2 a X	- y2 b Y	+ (½ + z2) c Z	(K-I)	(4a)
  B7	=	(½ + x2) a X	+ (½ - y2) b Y	+ z2 c Z	(K-I)	(4a)
  B8	=	(½ - x2) a X	+ (½ + y2) b Y	+ (½ + z2) c Z	(K-I)	(4a)
  B9	=	+ x3 a X	+ y3 b Y	+ z3 c Z	(K-II)	(4a)
  B10	=	- x3 a X	- y3 b Y	+ (½ + z3) c Z	(K-II)	(4a)
  B11	=	(½ + x3) a X	+ (½ - y3) b Y	+ z3 c Z	(K-II)	(4a)
  B12	=	(½ - x3) a X	+ (½ + y3) b Y	+ (½ + z3) c Z	(K-II)	(4a)
  B13	=	+ x4 a X	+ y4 b Y	+ z4 c Z	(K-III)	(4a)
  B14	=	- x4 a X	- y4 b Y	+ (½ + z4) c Z	(K-III)	(4a)
  B15	=	(½ + x4) a X	+ (½ - y4) b Y	+ z4 c Z	(K-III)	(4a)
  B16	=	(½ - x4) a X	+ (½ + y4) b Y	+ (½ + z4) c Z	(K-III)	(4a)
  B17	=	+ x5 a X	+ y5 b Y	+ z5 c Z	(S-I)	(4a)
  B18	=	- x5 a X	- y5 b Y	+ (½ + z5) c Z	(S-I)	(4a)
  B19	=	(½ + x5) a X	+ (½ - y5) b Y	+ z5 c Z	(S-I)	(4a)
  B20	=	(½ - x5) a X	+ (½ + y5) b Y	+ (½ + z5) c Z	(S-I)	(4a)
  B21	=	+ x6 a X	+ y6 b Y	+ z6 c Z	(S-II)	(4a)
  B22	=	- x6 a X	- y6 b Y	+ (½ + z6) c Z	(S-II)	(4a)
  B23	=	(½ + x6) a X	+ (½ - y6) b Y	+ z6 c Z	(S-II)	(4a)
  B24	=	(½ - x6) a X	+ (½ + y6) b Y	+ (½ + z6) c Z	(S-II)	(4a)
  B25	=	+ x7 a X	+ y7 b Y	+ z7 c Z	(S-III)	(4a)
  B26	=	- x7 a X	- y7 b Y	+ (½ + z7) c Z	(S-III)	(4a)
  B27	=	(½ + x7) a X	+ (½ - y7) b Y	+ z7 c Z	(S-III)	(4a)
  B28	=	(½ - x7) a X	+ (½ + y7) b Y	+ (½ + z7) c Z	(S-III)	(4a)
  B29	=	+ x8 a X	+ y8 b Y	+ z8 c Z	(S-IV)	(4a)
  B30	=	- x8 a X	- y8 b Y	+ (½ + z8) c Z	(S-IV)	(4a)
  B31	=	(½ + x8) a X	+ (½ - y8) b Y	+ z8 c Z	(S-IV)	(4a)
  B32	=	(½ - x8) a X	+ (½ + y8) b Y	+ (½ + z8) c Z	(S-IV)	(4a)

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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).