Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F17%3A00479715" target="_blank" >RIV/68378271:_____/17:00479715 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1107/S2052520617009398" target="_blank" >http://dx.doi.org/10.1107/S2052520617009398</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1107/S2052520617009398" target="_blank" >10.1107/S2052520617009398</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions

Popis výsledku v původním jazyce

Morpholinium tetrafluoroborate belongs to a class of ferroelectric compounds ABX4. However, it does not develop ferroelectric properties because the incommensurate phase below Tc,I = 153 K is centrosymmetric, the threefold superstructure below Tc,II = 117–118 K possesses the acentric but non-ferroelectric space group P212121. A structure model for the incommensurately modulated phase is reported. A mechanism is proposed for the phase transitions, whereby at low temperatures morpholinium cations are shaped around the tetrafluoroborate anion in order to optimize the interactions with one orientation of this anion and, thus, forcing [BF4] anions into this orientation.

Název v anglickém jazyce

Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions

Popis výsledku anglicky

Morpholinium tetrafluoroborate belongs to a class of ferroelectric compounds ABX4. However, it does not develop ferroelectric properties because the incommensurate phase below Tc,I = 153 K is centrosymmetric, the threefold superstructure below Tc,II = 117–118 K possesses the acentric but non-ferroelectric space group P212121. A structure model for the incommensurately modulated phase is reported. A mechanism is proposed for the phase transitions, whereby at low temperatures morpholinium cations are shaped around the tetrafluoroborate anion in order to optimize the interactions with one orientation of this anion and, thus, forcing [BF4] anions into this orientation.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GA15-12653S" target="_blank" >GA15-12653S: Validace a interpretace modulovaných struktur</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials

ISSN

2052-5206

e-ISSN

—

Svazek periodika

73

Číslo periodika v rámci svazku

Jun

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

836-843

Kód UT WoS článku

000412273900008

EID výsledku v databázi Scopus

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