Literature DB >> 12761404

Sodium carbonate revisited.

Michal Dusek1, Gervais Chapuis, Mathias Meyer, Vaclav Petricek.   

Abstract

We present the structure of anhydrous sodium carbonate at room temperature (phase gamma) and 110 K (phase delta) based on single-crystal X-ray diffraction data. The incommensurate phase gamma was determined almost 30 years ago in the harmonic approximation using one modulation wave and first-order satellites. In our work we use satellites up to fifth order and additional harmonic waves to model the anharmonic features of the structure. The commensurate phase delta is presented for the first time. Using the superspace approach, both phases are compared in order to find common trends in the whole range of the sodium carbonate phases. We present arguments supporting the hypothesis that the driving force of the phase transitions may originate in the unsaturated bonding potential of one of the Na ions.

Entities:  

Year:  2003        PMID: 12761404     DOI: 10.1107/s0108768103009017

Source DB:  PubMed          Journal:  Acta Crystallogr B        ISSN: 0108-7681


  4 in total

1.  Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb2ZnCl4.

Authors:  Liang Li; Alexander Wölfel; Andreas Schönleber; Swastik Mondal; Antoine M M Schreurs; Loes M J Kroon-Batenburg; Sander van Smaalen
Journal:  Acta Crystallogr B       Date:  2011-05-14

2.  Supercell refinement: a cautionary tale.

Authors:  Jeffrey Lovelace; Václav Petrícek; Garib Murshudov; Gloria E O Borgstahl
Journal:  Acta Crystallogr D Struct Biol       Date:  2019-08-28       Impact factor: 7.652

3.  Probing the Na metal solid electrolyte interphase via cryo-transmission electron microscopy.

Authors:  Bing Han; Yucheng Zou; Zhen Zhang; Xuming Yang; Xiaobo Shi; Hong Meng; Hong Wang; Kang Xu; Yonghong Deng; Meng Gu
Journal:  Nat Commun       Date:  2021-05-24       Impact factor: 14.919

4.  A first principles method to determine speciation of carbonates in supercritical water.

Authors:  Ding Pan; Giulia Galli
Journal:  Nat Commun       Date:  2020-01-21       Impact factor: 14.919

  4 in total

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