Crystal Lattice Structures:	Reference Date: 14 Oct 2001
	Last Modified: 21 Oct 2004

The Ilmenite (FeTiO₃) 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)

---

• The Oxygen atoms form a nearly close-packed system, hence one of the classifications of this structure.
• Note that Wyckoff's rhombohedral coordinates and hexagonal coordinates don't quite match. We've used the rhombohedral coordinates, to draw the structure. However, the basis vectors are in pseudo-hexagonal form, as outlined in the description of the PdAl Structure.
• Removing either the Fe or Ti atoms changes this to the D0₅ (BiI₃) structure.
• We previously mislabeled the O (6f) sites as Ti (2c) sites.

---

• Prototype: FeTiO₃
• Pearson Symbol: hR10
• Space Group: R3 (Cartesian and lattice coordinate listings available)
• Number: 148
• Other compounds with this structure: CdTiO₃, CoTiO₃, CrRhO₃, FeRhO₃, FeVO₃, LiNbO₃, MgGeO₃, MgTiO₃.
• Reference: Wyckoff, Vol II, p. 420.
• Primitive Vectors:

  A1	=	3-½ a Y + 1/3 c Z
  A2	=	- ½ a X - ½ 3-½ a Y + 1/3 c Z
  A3	=	+ ½ a X - ½ 3-½ a Y + 1/3 c Z

• Basis Vectors:

  B1	=	+ x1 A1 + x1 A2 + x1 A3	=	+ x1 Z	(Fe)	(2c)
  B2	=	- x1 A1 - x1 A2 - x1 A3	=	- x1 Z	(Fe)	(2c)
  B3	=	+ x2 A1 + x2 A2 + x2 A3	=	+ x2 Z	(Ti)	(2c)
  B4	=	- x2 A1 - x2 A2 - x2 A3	=	- x2 Z	(Ti)	(2c)
  B5	=	+ x3 A1 + y3 A2 + z3 A3	=	½ (z3 - y3) a X + 12-½ (2 x3 - y3 - z3) a Y + 1/3 (x3 + y3 + z3) Z	(O)	(6f)
  B6	=	+ z3 A1 + x3 A2 + y3 A3	=	½ (y3 - x3) a X + 12-½ (2 z3 - x3 - y3) a Y + 1/3 (x3 + y3 + z3) Z	(O)	(6f)
  B7	=	+ y3 A1 + z3 A2 + x3 A3	=	½ (x3 - z3) a X + 12-½ (2 y3 - z3 - x3) a Y + 1/3 (x3 + y3 + z3) Z	(O)	(6f)
  B8	=	- x3 A1 - y3 A2 - z3 A3	=	½ (y3 - x3) a X - 12-½ (2 x3 - y3 - z3) a Y - 1/3 (x3 + y3 + z3) Z	(O)	(6f)
  B9	=	- z3 A1 - x3 A2 - y3 A3	=	½ (x3 - y3) a X - 12-½ (2 z3 - x3 - y3) a Y - 1/3 (x3 + y3 + z3) Z	(O)	(6f)
  B10	=	- y3 A1 - z3 A2 - x3 A3	=	½ (z3 - x3) a X - 12-½ (2 y3 - z3 - x3) a Y - 1/3 (x3 + y3 + z3) Z	(O)	(6f)

---

Go back to the hexagonal close packed structures page.

Go back to the IIIb-VIIb Structures page.

Go back to Crystal Lattice Structure page.

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).