Encyclopedia of Crystallographic Prototypes

Li$_{2}$WO$_{4}$ (II) Structure: A2B4C_tI112_141_fg_2hi_h-001

• Li$_{2}$WO$_{4}$ is found in a variety of phases at different pressures and temperatures (Yamaoka, 1973; Pistorius, 1975):
• Li$_{2}$WO$_{4}$(I), which is in the Phenakite ($S1_{3}$) structure, is stable at low pressures and temperatures above 300$^\circ$C.
• Tetragonal Li$_{2}$WO$_{4}$(II) (this structure) is the ground state, and is stable below a line from (300$^\circ$C, 0 kBar) to (650$^\circ$C, 2 kBar) to (550$^\circ$C, 12 kBar) to (380$^\circ$C, 15 kBar).
• Orthorhombic Li$_{2}$WO$_{4}$(III) is the high temperature structure for all pressures above phases II and IV. Its exact crystal structure has not been determined. It has been conjectured to be in space group $Pna2_{1}$ #33, $Pnnm$ #58 or $Cmmm$ #65.
• Monoclinic Li$_{2}$WO$_{4}$(IV), stable at pressures higher than phase II and temperatures lower than phase III.
• Later (Hämmer, 2022) determined the structure of triclinic Li$_{2}$WO$_{4}$ (V) (this structure), which may be the phase (Belyaev, 1961) observed at ambient pressure above 660$^\circ$C.
• (Horiuchi, 1979) state that this structure is similar to spinel ($H1_{4}$).
• The ICSD assigns this structure to the Bi$_{2}$CdO$_{4}$ prototype, but these structures do not even have the same sets of occupied Wyckoff positions, so we give Li$_{2}$WO$_{4}$ (II) its own prototype.

Body-centered Tetragonal primitive vectors

References

• H. Horiuchi, N. Morimoto, and S. Yamaoka, The crystal structure of Li2WO4II: A structure related to spinel, J. Solid State Chem. 30, 129–135 (1979), doi:10.1016/0022-4596(79)90094-X.
• S. Yamaoka, O. Fukunaga, T. Ono, E. Iizuka, and S. Asami, Phase Transformations of Li$_{2}$WO$_{4}$ at High Pressure, J. Solid State Chem. 6, 280–285 (1973), doi:10.1016/0022-4596(73)90191-6.
• C. W. F. T. Pistorius, Phase Behavior of Li$_{2}$WO$_{4}$ at High Pressures and Temperatures, J. Solid State Chem. 13, 325–329 (1975), doi:10.1016/0022-4596(75)90147-4.
• M. Hämmer and H. A. Höppe, New Insights into Alkali Metal Tungstates: The High Temperature Polymorphism of Na$_{2}$WO$_{4}$, the New Polymorph Li$_{2}$WO$_{4}$-V and the Redetermined Crystal Structure of Li$_{2}$W$_{2}$O$_{7}$, Z. Anorganische und Allgemeine Chemie 648, 202100373 (2022), doi:10.1002/zaac.202100373.
• I. N. Belyaev, , Russ. J. Inorg. Chem. 6, 602 (1961).

Found in

• H. Horiuchi, N. Morimoto, and S. Yamaoka, The crystal structure of Li$_{2}$WO$_{4}$(IV) and its relation to the wolframite-type structure, J. Solid State Chem. 35, 115–119 (1980), doi:10.1016/0022-4596(80)90554-X.

First cited in

• N. Anderson, M. J. Mehl, H. Eckert, S. Divilov, X. Campilongo, S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 5. Submitted to Computational Materials Science (2026).

Geometry files

• CIF

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