Crystal Lattice Structures:	Creation Date:  1 Feb 2003
	Last Modified: 21 Oct 2004

The Ammonia (NH₃, D1) 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 positions of the Hydrogen atoms are taken from neutron diffraction data on fully deuterated ND₃.

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• Prototype: NH₃
• Pearson Symbol: cP16
• Strukturbericht Designation: D1
• Space Group: P2₁3 (Cartesian and lattice coordinate listings available)
• Number: 198
• Reference: Wyckoff, Vol. II, pp. 117-9.
• Other compounds with this structure: AsH₃, PH₃
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	x1 aX	+ x1 aY	+ x1 aZ	(4a)	(N)
  B2	=	(½ + x1) aX	+ (½ - x1) aY	- x1 aZ	(4a)	(N)
  B3	=	- x1 aX	+ (½ + x1) aY	+ (½ - x1) aZ	(4a)	(N)
  B4	=	(½ - x1) aX	- x1 aY	+ (½ + x1) aZ	(4a)	(N)
  B5	=	+ x2 aX	+ y2 aY	+ z2 aZ	(12b)	(H)
  B6	=	(½ + x2) aX	+ (½ - y2) aY	- z2 aZ	(12b)	(H)
  B7	=	- x2 aX	+ (½ + y2) aY	+ (½ - z2) aZ	(12b)	(H)
  B8	=	(½ - x2) aX	- y2 aY	(½ + z2) aZ	(12b)	(H)
  B9	=	+ z2 aX	+ x2 aY	+ y2 aZ	(12b)	(H)
  B10	=	(½ + z2) aX	+ (½ - x2) aY	- y2 aZ	(12b)	(H)
  B11	=	- z2 aX	+ (½ + x2) aY	+ (½ - y2) aZ	(12b)	(H)
  B12	=	(½ - z2) aX	- x2 aY	(½ + y2) aZ	(12b)	(H)
  B13	=	+ y2 aX	+ z2 aY	+ x2 aZ	(12b)	(H)
  B14	=	(½ + y2) aX	+ (½ - z2) aY	- x2 aZ	(12b)	(H)
  B15	=	- y2 aX	+ (½ + z2) aY	+ (½ - x2) aZ	(12b)	(H)
  B16	=	(½ - y2) aX	- z2 aY	(½ + x2) aZ	(12b)	(H)

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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).