Homo-epitaxy and twinning produce complex nanostructures in cryogenic calcite

Németh, P.; Bruno, M.; Aquilano, D.; Molnár, Z.

doi:10.1107/S1600576726001354

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 4
Geometry-optimized structure models of {0001}//{1100} (a), {1120}//{1120}_rotated (b), {1108}//{1102} (c) homo-epitaxial and {1014}//{1014} twinned (d) calcite interfaces. Blue, green and red balls represent Ca, C and O atoms, respectively. The relationships between the lower and upper slabs are as follows: vertical 90° rotation (a), horizontal 90° rotation (b), vertical 90° rotation (c), mirror plane (d). The $[{d_{({\bar 3300} )}}]$ (1.440 Å) and the $[{d_{({1\bar 102} )}}]$ (3.855 Å) spacings closely match $[{d_{({000\underline{12}} )}}]$ (1.422 Å) and 2 × $[{d_{({1\bar 108} )}}]$ (3.824 Å), respectively. Doubled $[{d_{({000\underline {12}} )}}]$ ( $[{d_{({0006} )}}]$ ), $[{d_{({11\bar 20} )}}]$ , $[{d_{({1\bar 102} )}}]$ and $[{d_{({10\bar 14})}}]$ spacings are marked by green, red, blue and yellow lines, respectively.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 2| April 2026| Pages 586-593

https://doi.org/10.1107/S1600576726001354

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