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• W2081566403 abstract "High-resolution powder diffraction data have been recorded on cubic ZrW 2 O 8 [ a = 9.18000 (3) Å at 2 K] at 260 temperatures from 2 to 520 K in 2 K steps. These data have confirmed that α-ZrW 2 O 8 has a negative coefficient of thermal expansion, α = −9.07 × 10 −6 K −1 (2–350 K). A `parametric' approach to Rietveld refinement is adopted and it is demonstrated that a full anisotropic refinement can be performed at each temperature, despite using a data collection time of only 5 min. Examination of the resulting structural parameters suggests that the origin of the contraction with increasing temperature can be traced straightforwardly to the rigid-body transverse librations of bridging O atoms. α-ZrW 2 O 8 undergoes a phase transition from P 2 1 3 to Pa 3¯ at 448 K that is associated with the onset of considerable oxygen mobility. The phase transition can be described in terms of a simple cubic three-dimensional Ising model. Unusual kinetics are associated with this phase transition. Hysteresis in the cell parameter through the phase transition is the opposite of that normally observed." @default.
• W2081566403 created "2016-06-24" @default.
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• W2081566403 date "1999-06-01" @default.
• W2081566403 modified "2023-10-15" @default.
• W2081566403 title "Structural investigation of the negative-thermal-expansion material ZrW₂O₈" @default.
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• W2081566403 doi "https://doi.org/10.1107/s0108768198016966" @default.
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