Encyclopedia of Crystallographic Prototypes

β-WO$_{3}$ Structure: A3B_oP32_60_3d_d-001

• All stable phases of WO$_{3}$ are distortions of the cubic $\alpha$–ReO$_{3}$ ($D0_{9}$) phase. Based on (Woodward, 1997 and Vogt, 1999), the known stable phases and their approximate temperature ranges are:
  • $\alpha$–WO$_{3}$ (1010-1170 K) (Vogt, 1999)
  • $\beta$–WO$_{3}$ (600-1170 K) (Vogt, 1999) (this structure)
  • $\gamma$–WO$_{3}$ (290-600 K) (Vogt, 1999)
  • $\delta$–WO$_{3}$ (230-290 K) (Diehl, 1978)
  • $\epsilon$–WO$_{3}$ (below 23 K) (Woodward, 1997)
• Woodward notes that The transition temperatures display large hysteresis effects and universal agreement is not found in the literature.
• In addition, several other structures have been proposed and/or found:
  • The original $D0_{10}$ structure (Bräkken, 1931; Hermann, 1937), superseded by $\delta$–WO$_{3}$
  • The original $\beta$–WO$_{3}$ (Salje, 1977)
  • Hexagonal WO$_{3}$, presumably metastable, found by (Gerand, 1979) while dehydrating WO$_{3}$·H$_{2}$O
• (Salje, 1977) originally found this structure to be in space group $Pnma$ #62, but a redetermination by (Vogh, 1999) places it in the $Pbcn$ #60 space group.
• (Vogt, 1999) give the structure in the $Pcnb$ setting of space group #60. We used FINDSYM to translate this to the standard $Pbcn$ setting.

Simple Orthorhombic primitive vectors

References

• P. M. Woodward, A. W. Sleight, and T. Vogt, Ferroelectric Tungsten Trioxide, J. Solid State Chem. 131, 9–17 (1997), doi:10.1006/jssc.1997.7268.
• T. Vogt, P. M. Woodward, and B. A. Hunter, The High-Temperature Phases of WO$_{3}$, J. Solid State Chem. 144, 209–215 (1999), doi:10.1006/jssc.1999.8173.
• R. Diehl, G. Brandt, and E. Salje, The Crystal Structure of Triclinic WO$_{3}$, Acta Crystallogr. Sect. B 34, 1105–1111 (1978), doi:10.1107/S0567740878005014.
• H. Bräkken, Die Kristallstrukturen der Trioxyde von Chrom, Molybdän und Wolfram, Z. Kristallogr. 78, 484–488 (1931), doi:10.1524/zkri.1931.78.1.484.
• C. Hermann, O. Lohrmann, and H. Philipp, eds., Strukturbericht Band II 1928-1932 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).
• E. Salje, The Orthorhombic Phase of WO$_{3}$, Acta Crystallogr. Sect. B 33, 574–577 (1977), doi:10.1107/S0567740877004130.
• B. Gerand, G. Nowogrocki, J. Guenot, and M. Figlarz, Structural study of a new hexagonal form of tungsten trioxide, J. Solid State Chem. 29, 429–434 (1979), doi:10.1016/0022-4596(79)90199-3.

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