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Figure 3
Variation of (a) the two independent Si–O bond lengths (red and blue symbols) and average bond length (black symbols), and (b) the SiO4 polyhedral volume in quartz as a function of temperature, all calculated with the Crystal Palace program from data of Kihara (1990BB17). The open symbols are the lengths and volumes calculated from the reported refined parameters and they decrease unphysically with increasing temperature below the phase transition from α to β quartz at 848 K (dashed line). The bond lengths and volume corrected for thermal motion by the riding model (filled symbols) exhibit a weak positive thermal expansion.

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ISSN: 2053-2733
Volume 81| Part 3| May 2025| Pages 202-210
https://doi.org/10.1107/S2053273325002682
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