Order–disorder phase transition in the antiperovskite-type structure of synthetic kogarkoite, Na3SO4F

Avdontceva, Margarita S.; Zolotarev, Andrey A.; Krivovichev, Sergey V.

doi:10.1016/j.jssc.2015.07.033

Cited by 19 publications

(10 citation statements)

References 18 publications

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“…The first trend is confirmed by numerous data, including recent results on phase transitions in minerals (e.g. Avdonceva et al , 2015a, 2015b). Increasing temperature also generally leads to an increase in structural disorder.…”

Section: Further Directionssupporting

confidence: 62%

Structural and chemical complexity of minerals: an update

Krivovichev

Кривовичев

Hazen

et al. 2022

MinMag

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The complexities of chemical composition and crystal structure are fundamental characteristics of minerals that have high relevance to the understanding of their stability, occurrence and evolution. This review summarises recent developments in the field of mineral complexity and outlines possible directions for its future elaboration. The database of structural and chemical complexity parameters of minerals is updated by H-correction of structures with unknown H positions and the inclusion of new data. The revised average complexity values (arithmetic means) for all minerals are 3.54(2) bits/atom and 345(10) bits/cell (based upon 4443 structure reports). The distributions of atomic information amounts, chemIG and strIG, versus the number of mineral species fit the normal modes, whereas the distributions of total complexities, chemIG,total and strIG,total, along with numbers of atoms per formula and per unit cell are log normal. The three most complex mineral species known today are ewingite, morrisonite and ilmajokite, all either discovered or structurally characterised within the last five years. The most important complexity-generating mechanisms in minerals are: (1) the presence of isolated large clusters; (2) the presence of large clusters linked together to form three-dimensional frameworks; (3) formation of complex three-dimensional modular frameworks; (4) formation of complex modular layers; (5) high hydration state in salts with complex heteropolyhedral units; and (6) formation of ordered superstructures of relatively simple structure types. The relations between symmetry and complexity are considered. The analysis of temporal dynamics of mineralogical discoveries since 1875 with the step of 25 years show the increasing chemical and structural complexities of human knowledge of the mineral kingdom in the history of mineralogy. In the Earth's history, both diversity and complexity of minerals experience dramatic increases associated with the formation of Earth's continental crust, initiation of plate tectonics and the Great Oxidation event.

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Section: Further Directionssupporting

confidence: 62%

Structural and chemical complexity of minerals: an update

Krivovichev

Кривовичев

Hazen

et al. 2022

MinMag

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“…In addition to recent work on Li-rich anti-perovskites Li 3 OX (X = Cl or Br), [19][20][21][22][23] there have been structural and conductivity studies of the sodium analogues Na 3 OX (X = Cl or Br) [24][25][26][27][28][29][30][31][32][33][34][35] , as well as work on a range of other Na-rich anti-perovskites such as Na 3 ONO 2 and Na 3 OBH 4 . [36][37][38][39][40][41][42][43][44][45][46][47][48][49][50][51] In comparison to lithium, Na-ion batteries have the advantages of raw material abundance and reduced cost with possible use in largescale grid storage applications. It is generally accepted that ion transport in Na-rich anti-perovskites takes place via Na vacancy migration 27 as sodium vacancies seem to be the majority sodium defect species.…”

Section: Introductionmentioning

confidence: 99%

Atomic-scale investigation of cation doping and defect clustering in the anti-perovskite Na₃OCl sodium-ion conductor

et al. 2022

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“…Surprisingly, the structure does not show any similarity to the known fluoride analogues, as could be expected from the fluoride hydride analogy [37, 38] . In case of the fluorides, two phases of Na 3 SO 4 F are known, a monoclinic ( P 2 1 / m ) low‐temperature phase (α) and a trigonal ( R

\overset{3}{true}

m ) high‐temperature phase (β) [32, 39, 40] …”

Section: Figurementioning

confidence: 84%

Na₃SO₄H—The First Representative of the Material Class of Sulfate Hydrides

et al. 2021

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The first representative of a novel class of mixed‐anionic compounds, the sulfate hydride Na3SO4H, and the corresponding deuteride Na3SO4D were obtained from the solid‐state reaction of NaH or NaD with dry Na2SO4. Precise reaction control is required, because too harsh conditions lead to the reduction of sulfate to sulfide. A combined X‐ray and neutron diffraction study revealed that the compound crystallizes in the tetragonal space group P4/nmm with the lattice parameters a=7.0034(2) Å and c=4.8569(2) Å. The sole presence of hydride and absence of hydroxide ions is proven by vibrational spectroscopy and comparison with spectra predicted from quantum chemical calculations. 1H and 23Na MAS NMR spectra are consistent with the structure of Na3SO4H: a single 1H peak at 2.9 ppm is observed, while two peaks at 15.0 and 6.2 ppm for the inequivalent 23Na sites are observed. Elemental analysis and quantum chemical calculations further support these results.

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Order–disorder phase transition in the antiperovskite-type structure of synthetic kogarkoite, Na3SO4F

Cited by 19 publications

References 18 publications

Structural and chemical complexity of minerals: an update

Structural and chemical complexity of minerals: an update

Atomic-scale investigation of cation doping and defect clustering in the anti-perovskite Na₃OCl sodium-ion conductor

Na₃SO₄H—The First Representative of the Material Class of Sulfate Hydrides

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Order–disorder phase transition in the antiperovskite-type structure of synthetic kogarkoite, Na3SO4F

Cited by 19 publications

References 18 publications

Structural and chemical complexity of minerals: an update

Structural and chemical complexity of minerals: an update

Atomic-scale investigation of cation doping and defect clustering in the anti-perovskite Na3OCl sodium-ion conductor

Na3SO4H—The First Representative of the Material Class of Sulfate Hydrides

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Product

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Atomic-scale investigation of cation doping and defect clustering in the anti-perovskite Na₃OCl sodium-ion conductor

Na₃SO₄H—The First Representative of the Material Class of Sulfate Hydrides