Crystal structure and proton conductivity of a new Cs3(H2PO4)(HPO4)·2H2O phase in the caesium di- and monohydrogen orthophosphate system

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Crystal structure and proton conductivity of a new Cs₃(H₂PO₄)(HPO₄)·2H₂O phase in the caesium di- and monohydrogen orthophosphate system. / Ponomareva, Valentina; Bagryantseva, Irina ; Zakharov, Boris и др.

в: Acta Crystallographica Section C: Structural Chemistry, Том 73, № 10, 01.10.2017, стр. 773-779.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{01fc5d41760a4240ad93944c6be22360,

title = "Crystal structure and proton conductivity of a new Cs3(H2PO4)(HPO4)·2H2O phase in the caesium di- and monohydrogen orthophosphate system",

abstract = "The MxHy(AO4)z acid salts (M = Cs, Rb, K, Na, Li, NH4; A = S, Se, As, P) exhibit ferroelectric properties. The solid acids have low conductivity values and are of interest with regard to their thermal properties and proton conductivity. The crystal structure of caesium dihydrogen orthophosphate monohydrogen orthophosphate dihydrate, Cs3(H1.5PO4)2·2H2O, has been solved. The compound crystallizes in the space group Pbca and forms a structure with strong hydrogen bonds connecting phosphate tetrahedra that agrees well with the IR spectra. The dehydration of Cs3(H1.5PO4)2·2H2O with the loss of two water molecules occurs at 348-433K. Anhydrous Cs3(H1.5PO4)2 is stable up to 548K and is then converted completely into caesium pyrophosphate (Cs4P2O7) and CsPO3. Anhydrous Cs3(H1.5PO4)2 crystallizes in the monoclinic C2 space group, with the unit-cell parameters a = 11.1693(4), b = 6.4682(2), c = 7.7442(3){\AA} and β = 71.822(2)°. The conductivities of both compounds have been measured. In contrast to crystal hydrate Cs3(H1.5PO4)2·2H2O, the dehydrated form has rather low conductivity values of 6 × 10-6-10-8 S cm-1 at 373-493K, with an activation energy of 0.91 eV.",

keywords = "acid salt, caesium dihydrogen phosphate, crystal structure, ferroelectric properties, mechanochemistry, orthophosphate, proton conductivity, thermal properties, CENTER-DOT 2H(2)O, DIHYDROGEN PHOSPHATE, CSH2PO4",

author = "Valentina Ponomareva and Irina Bagryantseva and Boris Zakharov and Natalia Bulina and Galina Lavrova and Elena Boldyreva",

note = "Publisher Copyright: {\textcopyright} International Union of Crystallography, 2017.",

year = "2017",

month = oct,

day = "1",

doi = "10.1107/S2053229617012335",

language = "English",

volume = "73",

pages = "773--779",

journal = "Acta Crystallographica Section C: Structural Chemistry",

issn = "2053-2296",

publisher = "John Wiley and Sons Inc.",

number = "10",

}

RIS

TY - JOUR

T1 - Crystal structure and proton conductivity of a new Cs3(H2PO4)(HPO4)·2H2O phase in the caesium di- and monohydrogen orthophosphate system

AU - Ponomareva, Valentina

AU - Bagryantseva, Irina

AU - Zakharov, Boris

AU - Bulina, Natalia

AU - Lavrova, Galina

AU - Boldyreva, Elena

N1 - Publisher Copyright: © International Union of Crystallography, 2017.

PY - 2017/10/1

Y1 - 2017/10/1

N2 - The MxHy(AO4)z acid salts (M = Cs, Rb, K, Na, Li, NH4; A = S, Se, As, P) exhibit ferroelectric properties. The solid acids have low conductivity values and are of interest with regard to their thermal properties and proton conductivity. The crystal structure of caesium dihydrogen orthophosphate monohydrogen orthophosphate dihydrate, Cs3(H1.5PO4)2·2H2O, has been solved. The compound crystallizes in the space group Pbca and forms a structure with strong hydrogen bonds connecting phosphate tetrahedra that agrees well with the IR spectra. The dehydration of Cs3(H1.5PO4)2·2H2O with the loss of two water molecules occurs at 348-433K. Anhydrous Cs3(H1.5PO4)2 is stable up to 548K and is then converted completely into caesium pyrophosphate (Cs4P2O7) and CsPO3. Anhydrous Cs3(H1.5PO4)2 crystallizes in the monoclinic C2 space group, with the unit-cell parameters a = 11.1693(4), b = 6.4682(2), c = 7.7442(3)Å and β = 71.822(2)°. The conductivities of both compounds have been measured. In contrast to crystal hydrate Cs3(H1.5PO4)2·2H2O, the dehydrated form has rather low conductivity values of 6 × 10-6-10-8 S cm-1 at 373-493K, with an activation energy of 0.91 eV.

AB - The MxHy(AO4)z acid salts (M = Cs, Rb, K, Na, Li, NH4; A = S, Se, As, P) exhibit ferroelectric properties. The solid acids have low conductivity values and are of interest with regard to their thermal properties and proton conductivity. The crystal structure of caesium dihydrogen orthophosphate monohydrogen orthophosphate dihydrate, Cs3(H1.5PO4)2·2H2O, has been solved. The compound crystallizes in the space group Pbca and forms a structure with strong hydrogen bonds connecting phosphate tetrahedra that agrees well with the IR spectra. The dehydration of Cs3(H1.5PO4)2·2H2O with the loss of two water molecules occurs at 348-433K. Anhydrous Cs3(H1.5PO4)2 is stable up to 548K and is then converted completely into caesium pyrophosphate (Cs4P2O7) and CsPO3. Anhydrous Cs3(H1.5PO4)2 crystallizes in the monoclinic C2 space group, with the unit-cell parameters a = 11.1693(4), b = 6.4682(2), c = 7.7442(3)Å and β = 71.822(2)°. The conductivities of both compounds have been measured. In contrast to crystal hydrate Cs3(H1.5PO4)2·2H2O, the dehydrated form has rather low conductivity values of 6 × 10-6-10-8 S cm-1 at 373-493K, with an activation energy of 0.91 eV.

KW - acid salt

KW - caesium dihydrogen phosphate

KW - crystal structure

KW - ferroelectric properties

KW - mechanochemistry

KW - orthophosphate

KW - proton conductivity

KW - thermal properties

KW - CENTER-DOT 2H(2)O

KW - DIHYDROGEN PHOSPHATE

KW - CSH2PO4

UR - http://www.scopus.com/inward/record.url?scp=85030552665&partnerID=8YFLogxK

U2 - 10.1107/S2053229617012335

DO - 10.1107/S2053229617012335

M3 - Article

C2 - 28978782

AN - SCOPUS:85030552665

VL - 73

SP - 773

EP - 779

JO - Acta Crystallographica Section C: Structural Chemistry

JF - Acta Crystallographica Section C: Structural Chemistry

SN - 2053-2296

IS - 10

ER -

ID: 9561309