Crystal growth, structure, crystalline perfection and characterization of zinc magnesium ammonium sulfate hexahydrate mixed crystals ZnxMg(1−x)(NH4)2(SO4)2·6H2O

Ramasamy, G.; Bhagavannarayana, G.; Madhurambal, G.; Meenakshisundaram, Subbiah

doi:10.1016/j.jcrysgro.2012.02.028

Cited by 18 publications

(2 citation statements)

References 18 publications

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“…Tutton salts form a hexahydrate isomorphic crystallographic family with a general chemical formula M 2 M*(XO 4 ) 2 •6H 2 O, where M is occupied by a monocation (Cs + , K + , Rb + , Tl + , and NH 4 + ), M* represents a dication (Mg 2+ , V 2+ , Mn 2+ , Fe 2+ , Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ Cd 2+ ), and X is a site constituted by S or Se atoms [15,16]. These salts crystallize in a monoclinic system with P2 1 /a space group containing two formulas per unit cell (Z = 2) [17]. There are two complexes [M*(H 2 O) 6 ] in the unit cell, located in the inversion center and coordinated by six H 2 O molecules in a slightly distorted octahedral environment caused by the Jahn-Teller effect [18].…”

Section: Introductionmentioning

confidence: 99%

Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1–xZnx(SO4)2(H2O)6 Tutton salt

et al. 2022

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Tutton salts have been extensively explored in recent decades due to their attractive physical and chemical properties, which make them potential candidates for thermochemical heat storage systems and optical technologies. In this paper, a series of new mixed Tutton salts with the chemical formula (NH4)2Mn1–xZnx(SO4)2(H2O)6 is reported. Crystals are successfully grown by the solvent slow evaporation method and characterized by powder X-ray diffraction (PXRD) with Rietveld refinement. In particular, the crystal structure of the mixed (NH4)2Mn0.5Zn0.5(SO4)2(H2O)6 crystal is solved through PRXD data using the DICVOL06 algorithm for diffraction pattern indexing and the Le Bail method for lattice parameter and spatial group determination. The structure is refined using the Rietveld method implemented in TOPAS® and reported in the Cambridge Structural Database file number 2104098. Moreover, a computational study using Hirshfeld surface and crystal void analyses is conducted to identify and quantify the intermolecular interactions in the crystal structure as well as to determine the amount of free space in the unit cell. Furthermore, 2D-fingerprint plots are generated to evaluate the main intermolecular contacts that stabilize the crystal lattice. Density functional theory is employed to calculate the structural, thermodynamic, and electronic properties of the coordination [Zn(H2O)6]2+ and [Mn(H2O)6]2+ complexes present in the salts. Molecular orbitals, bond lengths, and the Jahn–Teller effect are also discussed. The findings suggest that in Mn-Zn salts several properties dependent on the electronic structure can be tuned up by modifying the chemical composition.

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Section: Introductionmentioning

confidence: 99%

Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1–xZnx(SO4)2(H2O)6 Tutton salt

et al. 2022

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“…The compound under study potassium magnesium sulphate hexahydrate K 2 Zn(SO 4 ) 2 .6H 2 O belongs to a large number of isomorphous compounds with a general formula Me'Me"(XO 4 ) 2 .6H 2 O (Me'= K, NH 4 + , Rb, Cs; Me " = Mg, Mn, Co, Ni, Cu, Zn; X = S, Se) known as Tutton's salt 1,2 . These compounds are considered as potential conductors due to the existence of comparatively strong hydrogen bonds.…”

Section: Introductionmentioning

confidence: 99%

Crystal Growth, Structure and Characterization of Tutton’s Salt Mixed Crystals – Potassium Magnesium Manganese Sulfate Hexahydrate

Ramasamy¹,

Anandakumaran²

2020

IJRPC

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New mixed crystals of K2Mg0.78Mn0.22(SO4)2.6H2O (KMMS) were synthesized and grown from an equimolar mixture of the Tutton's salt K2Mg(SO4)2.6H2O and MnSO4 by slow evaporation of the aqueous solution at room temperature. Crystal composition as determined by single crystal XRD analysis reveals that it belongs to the monoclinic system with P21/c space group and cell parameter values are, a=        The coexistence of magnesium and manganese ions in the mixed crystal is confirmed by single crystal XRD analysis, atomic absorption spectroscopy, inductively coupled plasma and energy dispersive X-ray spectroscopy. Slight variations are observed in FT-IR and XRD of pure and mixed crystals. The surface morphology of the mixed crystal is studied by scanning electron microscopy. Thermogravimetric and differential thermal analysis curves show the purity of the substance. Large full width at half maximum value of diffraction curves in high resolution X-ray diffraction spectroscopy reveals the presence of misorientation in the lattice blocks because of the Mn(II)incorporation.

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Mixed tutton salts K2Mn0.15Co0.85(SO4)2(H2O)6 and K2Mn0.16Zn0.84(SO4)2(H2O)6 for applications in thermochemical devices: experimental physicochemical properties combined with first-principles calculations

de Oliveira Neto,

da Silva,

Alves

et al. 2024

J Mater Sci

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Crystal growth, structure, crystalline perfection and characterization of zinc magnesium ammonium sulfate hexahydrate mixed crystals ZnxMg(1−x)(NH4)2(SO4)2·6H2O

Cited by 18 publications

References 18 publications

Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1–xZnx(SO4)2(H2O)6 Tutton salt

Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1–xZnx(SO4)2(H2O)6 Tutton salt

Crystal Growth, Structure and Characterization of Tutton’s Salt Mixed Crystals – Potassium Magnesium Manganese Sulfate Hexahydrate

Mixed tutton salts K2Mn0.15Co0.85(SO4)2(H2O)6 and K2Mn0.16Zn0.84(SO4)2(H2O)6 for applications in thermochemical devices: experimental physicochemical properties combined with first-principles calculations

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