Stacking sequence variations in vaterite resolved by precession electron diffraction tomography using a unified superspace model

0519124 - FZÚ 2020 RIV GB eng J - Journal Article
Steciuk, Gwladys - Palatinus, Lukáš - Rohlíček, Jan - Ouhenia, S. - Chateigner, D.
Stacking sequence variations in vaterite resolved by precession electron diffraction tomography using a unified superspace model.
Scientific Reports. Roč. 9, č. 1 (2019), s. 1-12, č. článku 9156. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA MŠMT(CZ) LO1603; GA ČR(CZ) GA18-10504S
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : crystal-structure * vaterite * electron diffraction tomography * stacking sequence * crystal structure
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.998, year: 2019
Method of publishing: Open access

As a metastable phase, vaterite is involved in the first step of crystallization of several carbonate-forming systems including the two stable polymorphs calcite and aragonite. Its complete structural determination would shed important light to understand scaling formation and biomineralization processes. While vaterite’s hexagonal substructure and the organization of the carbonate groups within a single layer is known, conflicting interpretations regarding the stacking sequence remain and preclude the complete understanding of the structure. To resolve the ambiguities, we performed precession electron diffraction tomography to collect single crystal data from 100 K to the ambient temperature. The model was refined against PEDT data using the dynamical refinement procedure including modulation and twinning as well as against x-ray powder data by the Rietveld refinement.

Permanent Link: http://hdl.handle.net/11104/0304145