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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) July 1, 2020

On the nature of the phase transitions of aluminosilicate perrhenate sodalite

Hilke Petersen ORCID logo , Lars Robben ORCID logo EMAIL logo and Thorsten M. Gesing ORCID logo
From the journal Zeitschrift für Kristallographie - Crystalline Materials
https://doi.org/10.1515/zkri-2020-0027

Abstract

The temperature-dependent structure-property relationships of the aluminosilicate perrhenate sodalite |Na8(ReO4)2|[AlSiO4]6 (ReO4-SOD) were analysed via powder X-ray diffraction (PXRD), Raman spectroscopy and heat capacity measurements. ReO4-SOD shows two phase transitions in the investigated temperature range (13 K < T < 1480 K). The first one at 218.6(1) K is correlated to the transition of dynamically ordered P4¯3n (> 218.6(1 K) to a statically disordered (<218.6(1) K) SOD template in P4¯3n. The loss of the dynamics of the template anion during cooling causes an increase of disorder, indicated by an unusual intensity decrease of the 011-reflection and an increase of the Re-O2 bond length with decreasing temperature. Additionally, Raman spectroscopy shows a distortion of the ReO4 anion. Upon heating the thermal expansion of the sodalite cage originated in the tilt-mechanism causes the second phase transition at 442(1) K resulting in a symmetry-increase from P4¯3n to Pm3¯n, the structure with the sodalites full framework expansion. Noteworthy is the high decomposition temperature of 1320(10) K.

Keywords: high-temperature in-situ X-ray diffraction; low-temperature in-situ X-ray diffraction; perrhenate sodalite; phase transitions
Corresponding author: Lars Robben, University of Bremen, Institute of Inorganic Chemistry and Crystallography, Leobener Str. 7, 28359 Bremen, Germany; University of Bremen, MAPEX Center for Materials and Processes, Bibliotheksstraße 1, 28359 Bremen, Germany, E-mail:

Funding source: Deutsche Forschungsgemeinschaft

Award Identifier / Grant number: INST 144/435-1 FUGG

Acknowledgment

The authors express their gratitude to the Deutsche Forschungsgemeinschaft (DFG) for funding the low-temperature X-ray diffraction equipment (StadiMP) with the Art. 91b GG grant INST 144/435-1 FUGG.

  1. Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This research was funded by Deutsche Forschungsgemeinschaft (DFG).

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Supplementary material

The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2020-0027).

Received: 2020-05-03
Accepted: 2020-05-20
Published Online: 2020-07-01
Published in Print: 2020-07-28

© 2020 Walter de Gruyter GmbH, Berlin/Boston

From the journal
Zeitschrift für Kristallographie - Crystalline Materials
Zeitschrift für Kristallographie - Crystalline Materials
Volume 235 Issue 6-7

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