Crystal structure prediction by ionic network analysis: the example of (p–T–X)-structure relationships in olivines

Thomas, N.W.

doi:10.1107/S2052520616018308

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 7
Calculated crystallographic parameters: (a) prior to refinement; (b) following refinement under the condition that both sets of a and b parameters be equal to each other. (c) following refinement under the condition that all three sets of cell parameters be equal to one other; (d) following setting of Δy for the cationic network through the closest fit to interpolated bond-valence values.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 73| Part 1| February 2017| Pages 74-86

https://doi.org/10.1107/S2052520616018308

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