Crystal Lattice Structures:	Creation Date:  4 Mar 2002
	Last Modified: 28 Jul 2008

The high-pressure Te 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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• This is a high-pressure phase of Te. The ground state of Te appears to be gamma-Se (A8).
• The four Te atoms in the unit cell all sit on (2a) sites, so there are two independent classes of atom.
• Like the space group P2, this space group requires more than one Wyckoff position to be filled in order for the structure to exhibit P2 symmetry, even though the only Wyckoff position is (2a). If we only have one set of (2a) atoms, the space group becomes P2₁/m. We need at least two sets of atoms to identify this space group.

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• Prototype: Te
• Pearson Symbol: mP4
• Space Group: P2₁ (Cartesian and lattice coordinate listings available)
• Number: 4
• Primitive Vectors:

  A1	=	a X
  A2	=	b Y
  A3	=	c cos(β) X + c sin(β) Z

• Basis Vectors:

  B1	=	+ x1 A1 + y1 A2 + z1 A3	=	+ [x1 a + z1 c cos(β)] X + y1 b Y + z1 c sin(β) Z	(2a)	(Ti-I)
  B2	=	- x1 A1 + (½ + y1) A2 - z1 A3	=	- [x1 a + z1 c cos(β)] X + (½ + y1) b Y - z1 c sin(β) Z	(2a)	(Ti-I)
  B3	=	+ x2 A1 + y2 A2 + z2 A3	=	+ [x2 a + z2 c cos(β)] X + y2 b Y + z2 c sin(β) Z	(2a)	(Ti-II)
  B4	=	- x2 A1 + (½ + y2) A2 - z2 A3	=	- [x2 a + z2 c cos(β)] X + (½ + y2) b Y - z2 c sin(β) Z	(2a)	(Ti-II)

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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).