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

# The high-pressure Te Structure

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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.

• 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: This is a mirror of an old page created at theNaval Research LaboratoryCenter for Computational Materials ScienceThe 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).