Research output: Contribution to journal › Article › peer-review
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 et al.
In: Acta Crystallographica Section C: Structural Chemistry, Vol. 73, No. 10, 01.10.2017, p. 773-779.Research output: Contribution to journal › Article › peer-review
}
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