Crystal Lattice Structures:	Creation Date: 18 Apr 2001
	Last Modified: 21 Oct 2004

The Brookite (C21) Structure

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• 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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• Prototype: TiO₂
• Pearson Symbol: oP24
• Strukturbericht Designation: C21
• Space Group: Pbca (Cartesian and lattice coordinate listings available)
• Number: 61
• Reference: Strukturbericht, Vol II, p. 14.
• Other compounds with this structure: TeO₂ Tellurite
• Primitive Vectors:

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

• Basis Vectors:
  
  Since there are a lot of atoms here, and the conversion from
  Cartesian to orthorhombic lattice coordinates is obvious,
  we'll only list the Cartesian positions of the atoms:
  
  

  B1	=	+ x1 a X + y1 b Y + z1 c Z	(Ti)	(8c)
  B2	=	(½ + x1) a X + (½ - y1) b Y - z1 c Z	(Ti)	(8c)
  B3	=	- x1 a X + (½ + y1) b Y + (½ - z1) c Z	(Ti)	(8c)
  B4	=	(½ - x1) a X - y1 b Y + (½ + z1) c Z	(Ti)	(8c)
  B5	=	- x1 a X - y1 b Y - z1 c Z	(Ti)	(8c)
  B6	=	(½ - x1) a X + (½ + y1) b Y + z1 c Z	(Ti)	(8c)
  B7	=	+ x1 a X + (½ - y1) b Y + (½ + z1) c Z	(Ti)	(8c)
  B8	=	(½ + x1) a X + y1 b Y + (½ - z1) c Z	(Ti)	(8c)
  B9	=	+ x2 a X + y2 b Y + z2 c Z	(O-I)	(8c)
  B10	=	(½ + x2) a X + (½ - y2) b Y - z2 c Z	(O-I)	(8c)
  B11	=	- x2 a X + (½ + y2) b Y + (½ - z2) c Z	(O-I)	(8c)
  B12	=	(½ - x2) a X - y2 b Y + (½ + z2) c Z	(O-I)	(8c)
  B13	=	- x2 a X - y2 b Y - z2 c Z	(O-I)	(8c)
  B14	=	(½ - x2) a X + (½ + y2) b Y + z2 c Z	(O-I)	(8c)
  B15	=	+ x2 a X + (½ - y2) b Y + (½ + z2) c Z	(O-I)	(8c)
  B16	=	(½ + x2) a X + y2 b Y + (½ - z2) c Z	(O-I)	(8c)
  B17	=	+ x3 a X + y3 b Y + z3 c Z	(O-II)	(8c)
  B18	=	(½ + x3) a X + (½ - y3) b Y - z3 c Z	(O-II)	(8c)
  B19	=	- x3 a X + (½ + y3) b Y + (½ - z3) c Z	(O-II)	(8c)
  B20	=	(½ - x3) a X - y3 b Y + (½ + z3) c Z	(O-II)	(8c)
  B21	=	- x3 a X - y3 b Y - z3 c Z	(O-II)	(8c)
  B22	=	(½ - x3) a X + (½ + y3) b Y + z3 c Z	(O-II)	(8c)
  B23	=	+ x3 a X + (½ - y3) b Y + (½ + z3) c Z	(O-II)	(8c)
  B24	=	(½ + x3) a X + y3 b Y + (½ - z3) c Z	(O-II)	(8c)

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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).