Crystal Lattice Structures:	Creation Date: 10 May 2003
	Last Modified: 18 Jul 2008

The KCNS (F5₉) 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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• Properly relabeled atoms 13-16 as Sulfur, not Nitrogen.

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• This is a crystal of nearly linear CNS molecules separated by potassium ions.
• Strukturbericht gives the coordinates in the setting of the Pcmb orientation of space group #57. We've rotated the crystal so that (x,y,z) → (-x,z,y) so that it can be listed in the standard Pbcm orientation.
• 13 May 2003:Until we corrected this, all the Cartesian components seemed to be in the Y direction.

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• Prototype: KCNS
• Pearson Symbol: oP16
• Strukturbericht Designation: F5₉
• Space Group: Pbcm (Cartesian and lattice coordinate listings available)
• Number: 57
• Reference: Strukturbericht, Vol III, p. 80.
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	+ x1 A1 + ¼ A2	=	+ x1 a X + ¼ b Y	(K)	(4c)
  B2	=	- x1 A1 + ¾ A2 + ½ A3	=	- x1 a X + ¾ b Y + ½ c Z	(K)	(4c)
  B3	=	- x1 A1 + ¾ A2	=	- x1 a X + ¾ b Y	(K)	(4c)
  B4	=	+ x1 A1 + ¼ A2 + ½ A3	=	+ x1 a X + ¼ b Y + ½ c Z	(K)	(4c)
  B5	=	+ x2 A1 + y2 A2 + ¼ A3	=	+ x2 a X + y2 b Y + ¼ c Z	(C)	(4d)
  B6	=	- x2 A1 - y2 A2 + ¾ A3	=	- x2 a X - y2 b Y + ¾ c Z	(C)	(4d)
  B7	=	- x2 A1 + (½ + y2) A2 + ¼ A3	=	- x2 a X + (½ + y2) b Y + ¼ c Z	(C)	(4d)
  B8	=	+ x2 A1 + (½ - y2) A2 + ¾ A3	=	+ x2 a X + (½ - y2) b Y + ¾ c Z	(C)	(4d)
  B9	=	+ x3 A1 + y3 A2 + ¼ A3	=	+ x3 a X + y3 b Y + ¼ c Z	(N)	(4d)
  B10	=	- x3 A1 - y3 A2 + ¾ A3	=	- x3 a X - y3 b Y + ¾ c Z	(N)	(4d)
  B11	=	- x3 A1 + (½ + y3) A2 + ¼ A3	=	- x3 a X + (½ + y3) b Y + ¼ c Z	(N)	(4d)
  B12	=	+ x3 A1 + (½ - y3) A2 + ¾ A3	=	+ x3 a X + (½ - y3) b Y + ¾ c Z	(N)	(4d)
  B13	=	+ x4 A1 + y4 A2 + ¼ A3	=	+ x4 a X + y4 b Y + ¼ c Z	(S)	(4d)
  B14	=	- x4 A1 - y4 A2 + ¾ A3	=	- x4 a X - y4 b Y + ¾ c Z	(S)	(4d)
  B15	=	- x4 A1 + (½ + y4) A2 + ¼ A3	=	- x4 a X + (½ + y4) b Y + ¼ c Z	(S)	(4d)
  B16	=	+ x4 A1 + (½ - y4) A2 + ¾ A3	=	+ x4 a X + (½ - y4) b Y + ¾ c Z	(S)	(4d)

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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).