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Figure 10
Procedure for calculating the oxygen positional parameters (xO,yO,zO) and silicon x-coordinate (xSi) of α-quartz with regular tetrahedra for fixed cell parameters a and c. (a) EXCEL spreadsheet. Cells B9 to B11 correspond to equations (6[link]), (7[link]) and (9[link]), respectively. The formula in cell B12 calculates the pseudocubic angle aPC according to equation (10[link]). (b) Settings of the Solver.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 77| Part 3| June 2021| Pages 427-440
https://doi.org/10.1107/S2052520621002717
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