Crystal Lattice Structures:	Creation Date:  5 Jun 2008
	Last Modified:  5 Jun 2008

The Modderite (CoAs) 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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• Note that the absolute value of the Cobalt coordinate z₁ is arbitrary, and only the value of z₂ - z₁ is meaningful. We follow the reference and take z₁ = ¼.

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• Prototype: CoAs
• Pearson Symbol: oP8
• Strukturbericht Designation: none
• Space Group: Pna2₁ (Cartesian and lattice coordinate listings available)
• Number: 33
• Reference: P. S. Lyman and and C. T. Prewitt, Acta Cryst. B 40, 14-20 (1988).
• Other Compounds with this Structure: FeAs, VAs, FeP
• Primitive Vectors:

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

• Basis Vectors:

  B1	=	+ x1 A1 + y1 A2 + z1 A3	=	+ x1 a X + y1 b Y + z1 c Z	(4a)	(Co)
  B2	=	- x1 A1 - y1 A2 + (½ + z1) A3	=	- x1 a X - y1 b Y + (½ + z1) c Z	(4a)	(Co)
  B3	=	(½ + x1) A1 + (½ - y1) A2 + z1 A3	=	(½ + x1) a X + (½ - y1) b Y + z1 c Z	(4a)	(Co)
  B4	=	(½ - x1) A1 + (½ + y1) A2 + (½ + z1) A3	=	(½ - x1) a X + (½ + y1) b Y + (½ + z1) c Z	(4a)	(Co)
  B5	=	+ x2 A1 + y2 A2 + z2 A3	=	+ x2 a X + y2 b Y + z2 c Z	(4a)	(As)
  B6	=	- x2 A1 - y2 A2 + (½ + z2) A3	=	- x2 a X - y2 b Y + (½ + z2) c Z	(4a)	(As)
  B7	=	(½ + x2) A1 + (½ - y2) A2 + z2 A3	=	(½ + x2) a X + (½ - y2) b Y + z2 c Z	(4a)	(As)
  B8	=	(½ - x2) A1 + (½ + y2) A2 + (½ + z2) A3	=	(½ - x2) a X + (½ + y2) b Y + (½ + z2) c Z	(4a)	(As)

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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).