Crystal Lattice Structures:	Creation Date: 29 May 1996
	Last Modified: 21 Oct 2004

The 1212C [YBa₂Cu₃O_7-x] High-T_c 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 90K "123" superconductor found by Chou et al. The structure shown has eight oxygen atoms. Apparently the oxygen vacancies are randomly distributed among the oxygen sites.

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• Prototype: YBa₂Cu₃O_7-x
• Pearson Symbol: oP14
• Space Group: Pmmm (Cartesian and lattice coordinate listings available)
• Number: 47
• Other Compounds with this Structure: GaSr₂(Y,Ca)Cu₂O₇
• Primitive Vectors:

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

• Basis Vectors:

  B1	=		0		(Cu I)	(1a)
  B2	=	+ z1 A3	=	+ z1 c Z	(Cu II)	(2q)
  B3	=	- z1 A3	=	- z1 c Z	(Cu II)	(2q)
  B4	=	½ A1 + ½ A2 + ½ A3	=	½ a X + ½ b Y + ½ c Z	(Y)	(1h)
  B5	=	½ A1 + ½ A2 + z2 A3	=	½ a X + ½ b Y + z2 c Z	(Ba)	(2t)
  B6	=	½ A1 + ½ A2 - z2 A3	=	½ a X + ½ b Y - z2 c Z	(Ba)	(2t)
  B7	=	½ A1	=	½ a X	(O I)	(1b)
  B8	=	½ A2	=	½ b Y	(O II)	(1e)
  B9	=	½ A1 + z3 A3	=	½ a X + z3 c Z	(O III)	(2s)
  B10	=	½ A1 - z3 A3	=	½ a X - z3 c Z	(O IV)	(2s)
  B11	=	½ A2 + z4 A3	=	½ b Y + z4 c Z	(O V)	(2r)
  B12	=	½ A2 - z4 A3	=	½ b Y - z4 c Z	(O V)	(2r)
  B13	=	+ z5 A3	=	+ z5 c Z	(O VI)	(2q)
  B14	=	- z5 A3	=	- z5 c Z	(O VI)	(2q)

See:

• Primitive Vectors in LaTeX output format.

• Basis Vectors in LaTeX output format

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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).