Structure of cobalt sulfate tetrahydrate

Kellersohn, T.

doi:10.1107/s0108270191012003

Cited by 10 publications

(2 citation statements)

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“…We assess the differences in the hydrogen bonding network and compare our results to the Baur (1962) bonds as applied by Baur (1962) are very close to the values we observed in rozenite. Although the constraints used by Baur (1962) The hydrogen bonding system in rozenite-type compounds has been subject of intensive discussions (Baur 1962(Baur , 1964(Baur , 2002Kellersohn 1992;Held and Bohaty 2002;Anderson et al 2012). Based on a long donor acceptor distance of 3.02 Å Baur (1962) suggested that no intermolecular hydrogen bonding takes place for the Ow2 -H2b ••• O2 contact (Fig.…”

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confidence: 99%

“…recent studies on the rozenite-type compounds ZnSO 4 •4D 2 O(Anderson et al 2012), MnSO 4 •4D 2 O(Held and Bohaty 2002;Anderson et al 2012) and CoSO 4 •4D 2 O(Kellersohn 1992) interpret H2b to partake in a three-centered interaction (i.e., a bifurcated H-bond, Ow2 -H2b ::: O2/O2') with long donor-acceptor distances of 3.02 Å and 3.26 Å (Fig.3b) Kellersohn (1992). investigated the Ow2 hydrogen bond system based on bond-valance considerations and noted that exclusion of the two long hydrogen bonds results in the O2 atom exhibiting a deficiency of 0.22 valence units.…”

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Low-temperature crystallography and vibrational properties of rozenite (FeSO4·4H2O), a candidate mineral component of the polyhydrated sulfate deposits on Mars

Meusburger

Hudson‐Edwards

Tang

et al. 2023

American Mineralogist

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Rozenite (FeSO 4 •4H 2 O) is a candidate mineral component of the polyhydrated sulfate deposits on the surface and in the subsurface of Mars. In order to better understand its behavior at temperature conditions prevailing on the martian surface and aid its identification in ongoing and future Rover missions we have carried out a combined experimental and computational study of the mineral's structure and properties. We collected neutron powder diffraction data at temperatures ranging from 21 -290 K, room temperature synchrotron X-ray data and Raman spectra. Moreover, first-principles calculations of the vibrational properties of rozenite were carried out to aid the interpretation of the Raman spectrum. We found, in contrast to a recent Raman spectroscopic study, that there are no phase transitions between 21 and 290 K. We confirm the heavy atom structure reported in the literature (space group P2 1 /n) to be correct and present, for the first time, an unconstrained determination of the hydrogen atom positions by means of high-resolution neutron powder diffraction, and report the complete crystal structure at 290 K and 21 K. The anisotropy of the thermal expansion of the lattice vectors is α a : α b : α c = 1.00 : 2.19 : 1.60 at 285 K. Subsequent analysis of the thermal expansion tensor revealed highly anisotropic behavior as reflected in negative thermal expansion approximately || 〈101〉 and ratios of the tensor eigenvalues of α 1 : α 2 : α 3 = −1 : 3.74 : 5.40 at 285 K. Lastly, we demonstrated how combining Raman spectroscopy and X-ray diffraction of the same sample material sealed inside a capillary with complementary first-principles calculations yields accurate reference Raman spectra. This workflow enables the construction of a reliable Raman spectroscopic database for planetary exploration, which will be invaluable to shed light on the geological past as well as in identifying resources for the future colonization of planetary bodies throughout the solar system.

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confidence: 99%

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confidence: 99%

Low-temperature crystallography and vibrational properties of rozenite (FeSO4·4H2O), a candidate mineral component of the polyhydrated sulfate deposits on Mars

Meusburger

Hudson‐Edwards

Tang

et al. 2023

American Mineralogist

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ChemInform Abstract: Structure of Cobalt Sulfate Tetrahydrate.

Kellersohn

1992

ChemInform

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structure structure (solids and liquids) D 2000 -009Structure of Cobalt Sulfate Tetrahydrate.-Since its structure has hitherto not been reported, a single crystal XRD study is performed for the deuterated species CoSO4·4 D2O, obtained from a saturated solution of CoSO4 in 10% D2SO4/90% D2O. The basic structural units of this hydrate, which crystallizes in the monoclinic space group P21/n, Z = 4, are (CoO2(D2O)4) octahedra and SO4 tetrahedra. In contrast to hepta-and hexahydrates, these units are not isolated but linked via sulfate O atoms to form cyclic (Co2( SO4)2(D2O)8) heteropolyhedral clusters, which are interconnected via Hbonds. -(KELLERSOHN, T.; Acta Crystallogr., Sect. C: Cryst. Struct.

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The hydrates and deuterates of ferrous sulfate (FeSO₄): a Raman spectroscopic study

Chio

Sharma

Muenow

2006

J Raman Spectroscopy

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A comparative analysis has been carried out on the Raman spectra of FeSO 4 ·nH 2 O (n = 1, 4, 7) including the 2 D-analogs. The effects of changing the degrees of hydration have been found from the lattice, SO 4 2− internal, and H 2 O internal modes. Increasing degrees of hydration shift the intense n 1 (SO 4 ) peak to lower wavenumbers and reduce the amount of splitting on the n 3 (SO 4 ) peaks. Some of the water librational bands cause the broadening of the n 4 (SO 4 ) peaks in FeSO 4 ·7H 2 O and the n 2 (SO 4 ) peaks in FeSO 4 ·7D 2 O. The n 2 (H 2 O) band in FeSO 4 ·H 2 O is red-shifted in excess of 100 cm −1 relative to the unperturbed H 2 O band. Between 240 and 190 K and between 140 and 90 K in the spectra of FeSO 4 .4H 2 O, two potential phase transitions have been identified from the changes in the lattice and water-stretching regions. The resolution of the n 1 (H 2 O) and n 3 (H 2 O) bands in FeSO 4 ·4H 2 O and FeSO 4 ·H 2 O also improved sharply at low temperatures. The capability of distinguishing various forms of FeSO 4 hydrates unambiguously makes the Raman technique a potential analytical tool for the identification of sulfate minerals on planetary surfaces.

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Structure of cobalt sulfate tetrahydrate

Cited by 10 publications

References 4 publications

Low-temperature crystallography and vibrational properties of rozenite (FeSO4·4H2O), a candidate mineral component of the polyhydrated sulfate deposits on Mars

Low-temperature crystallography and vibrational properties of rozenite (FeSO4·4H2O), a candidate mineral component of the polyhydrated sulfate deposits on Mars

ChemInform Abstract: Structure of Cobalt Sulfate Tetrahydrate.

The hydrates and deuterates of ferrous sulfate (FeSO₄): a Raman spectroscopic study

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Structure of cobalt sulfate tetrahydrate

Cited by 10 publications

References 4 publications

Low-temperature crystallography and vibrational properties of rozenite (FeSO4·4H2O), a candidate mineral component of the polyhydrated sulfate deposits on Mars

Low-temperature crystallography and vibrational properties of rozenite (FeSO4·4H2O), a candidate mineral component of the polyhydrated sulfate deposits on Mars

ChemInform Abstract: Structure of Cobalt Sulfate Tetrahydrate.

The hydrates and deuterates of ferrous sulfate (FeSO4): a Raman spectroscopic study

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The hydrates and deuterates of ferrous sulfate (FeSO₄): a Raman spectroscopic study