X-ray study on the phase transitions in triammonium hydrogen disulfate crystals and deuterated crystals

Chen, R. H.; Wang, Liming; Yang, Shih Chang

doi:10.1080/01411599208222892

Cited by 17 publications

(6 citation statements)

References 10 publications

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“…Phase I: R3̄m, , T = 413 K: 5 a = 5.906(1) Å, b = 5.906(1) Å, c = 22.602(1) Å, α, β = 90°, γ = 120°, V = 682.8 Å 3 , R all = 0.104, or R3̄ 4 T = 430 K: a = 5.907(2) Å, b = 5.907(2) Å, c = 22.549(7) Å, α, β = 90°, γ = 120°, V = 681.4 Å 3 , R all = 0.0486. Phase II: A 2/ a , room temperature, a = 10.153(3) Å, b = 5.854(2) Å, c = 15.410(6) Å, β = 101.76(2)°, V = 896.7 Å 3 , R all = 0.045 or C 2/ c 7 with a = 15.435(2) Å, b = 5.865(1) Å, c = 10.1696(8) Å, β = 101.829(8)°, V = 901.1 Å 3 , R all = 0.029 or C 2 . Phase III: C 2/ c 5 T = 163 K, a = 15.578(4) Å, b = 5.816(1) Å, c = 10.050(4) Å, β = 101.58(3)°, V = 892.0 Å 3 , R all = 0.031 or P 2/ n 8 or Pn .…”

Section: Resultsmentioning

confidence: 99%

“…The crystal structures of phases I and II are well known, − but for the other phases there are problems with finding their unique space groups. ,, In most phases, the differences between possible space groups depend on positions of hydrogen atoms participating in the H-bonds. This dependence of the space group on H-atom positions makes (NH 4 + ) 3 H + (SO 4 2- ) 2 particularly interesting.…”

Section: Introductionmentioning

confidence: 99%

“…Because there are different structural results published so far for this compound, − , we have decided to perform careful investigations of these phases to clear up the situation. So, in this work, we report the structures of phases II, III, IV, and V, collected with a CCD diffractometer.…”

Section: Introductionmentioning

confidence: 99%

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H-Bonding Dependent Structures of (NH₄⁺)₃H⁺(SO₄²^-)₂. Mechanisms of Phase Transitions

et al. 2003

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The role of different H-bonds in phases II, III, IV, and V of triammonium hydrogen disulfate, (NH(4)(+))(3)H(+)(SO(4)(2)(-))(2), has been studied by X-ray diffraction and (1)H solid-state MAS NMR. The proper space group for phase II is C2/c, for phases III and IV is P2/n, and for phase V is P onemacr;. The structures of phases III and IV seem to be the same. The hydrogen atom participating in the O(-)-H(+).O(-) H-bond in phase II of (NH(4)(+))(3)H(+)(SO(4)(2)(-))(2) at room temperature is split at two positions around the center of the crucial O(-)-H(+).O(-) H-bonding, joining two SO(4)(2)(-) tetrahedra. With decreasing temperature, it becomes localized at one of the oxygen atoms. Further cooling causes additional differentiation of possibly equivalent sulfate dimers. The NH(4)(+) ions participate mainly in bifurcated H-bonds with two oxygen atoms from sulfate anions. On cooling, the major contribution of the bifurcated H-bond becomes stronger, whereas the minor one becomes weaker. This is coupled with rotation of sulfate ions. In all the phases of (NH(4)(+))(3)H(+)(SO(4)(2)(-))(2), some additional, weak but significant, reflections are observed. They are located between the layers of the reciprocal lattice, suggesting possible modulation of the host (NH(4)(+))(3)H(+)(SO(4)(2)(-))(2) structure(s). According to (1)H MAS NMR obtained for phases II and III, the nature of the acidic proton disorder is dynamic, and localization of the proton takes place in a broader range of temperatures, as can be expected from the X-ray diffraction data.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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H-Bonding Dependent Structures of (NH₄⁺)₃H⁺(SO₄²^-)₂. Mechanisms of Phase Transitions

et al. 2003

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“…In addition, structural considerations resulting from crystallographic studies, some organic sulfates exhibit non-linear optical properties [10], or phase transitions [11]. The present work continues a series of investigations into the factors influencing the dimensions of sulfate anion-organic cation interaction.…”

Section: Introductionmentioning

confidence: 85%

Crystal Structure, Thermal Behavior and Vibrational Spectra of 4,4’Diamoniumdiphenylmethan Sulfate Hydrate

Issa¹,

Benhamada²

2017

OJIC

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“…The transition at T c2 = 270 K exhibits properties typical of a phase transition of the second-order [27]. The crystal under study undergoes a transition of the first-order at T c1 = 160 K. Also, this crystal is ferroelastic and has a monoclinic structure in the room-temperature phase.…”

Section: 4mentioning

confidence: 97%

M and ¹H NMR, ionic motions and phase transitions in proton conducting MHSO₄ (M = K, Rb, Cs, and NH₄) single crystals

Lim

2005

Physica Status Solidi (b)

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The M and1 H spin -lattice relaxation rates in MHSO 4 (M = K, Rb, Cs, and NH 4 ) single crystals were measured over a wide temperature range. The temperature dependences of the 1 H spin -lattice relaxation rates in RbHSO 4 and NH 4 HSO 4 can be explained by using the Bloembergen -Purcell -Pound theory while the temperature dependence of the 1 H spin -lattice relaxation rate in KHSO 4 cannot. Also, the relaxation process for M in MHSO 4 crystals differs depending on M. It is well known that the characteristic features of MHSO 4 crystals depend on whether M is K, Rb, Cs or NH 4 ; specifically, NH 4 HSO 4 and RbHSO 4 exhibit ferroelectricity but KHSO 4 and CsHSO 4 do not. Consequently, although the MHSO 4 crystals considered here are all members of the alkali acid sulfate family, our relaxation rate results varied depending on the mechanism of the ionic motion. This suggests that the differences in the chemical properties of M (= K, Rb, Cs, and NH 4 ) are responsible for the variations of the natures of the phase transitions in these crystals.

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X-ray study on the phase transitions in triammonium hydrogen disulfate crystals and deuterated crystals

Cited by 17 publications

References 10 publications

H-Bonding Dependent Structures of (NH₄⁺)₃H⁺(SO₄²^-)₂. Mechanisms of Phase Transitions

H-Bonding Dependent Structures of (NH₄⁺)₃H⁺(SO₄²^-)₂. Mechanisms of Phase Transitions

Crystal Structure, Thermal Behavior and Vibrational Spectra of 4,4’Diamoniumdiphenylmethan Sulfate Hydrate

M and ¹H NMR, ionic motions and phase transitions in proton conducting MHSO₄ (M = K, Rb, Cs, and NH₄) single crystals

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X-ray study on the phase transitions in triammonium hydrogen disulfate crystals and deuterated crystals

Cited by 17 publications

References 10 publications

H-Bonding Dependent Structures of (NH4+)3H+(SO42-)2. Mechanisms of Phase Transitions

H-Bonding Dependent Structures of (NH4+)3H+(SO42-)2. Mechanisms of Phase Transitions

Crystal Structure, Thermal Behavior and Vibrational Spectra of 4,4’Diamoniumdiphenylmethan Sulfate Hydrate

M and 1H NMR, ionic motions and phase transitions in proton conducting MHSO4 (M = K, Rb, Cs, and NH4) single crystals

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H-Bonding Dependent Structures of (NH₄⁺)₃H⁺(SO₄²^-)₂. Mechanisms of Phase Transitions

H-Bonding Dependent Structures of (NH₄⁺)₃H⁺(SO₄²^-)₂. Mechanisms of Phase Transitions

M and ¹H NMR, ionic motions and phase transitions in proton conducting MHSO₄ (M = K, Rb, Cs, and NH₄) single crystals