A high temperature superionic phase of CsSn2F5

Berastegui, P.; Hull, S.; Eriksson, Sten

doi:10.1016/j.jssc.2009.11.020

Cited by 15 publications

(8 citation statements)

References 27 publications

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“…Layered structures favor fluoride ion conductivity in a series of fluoride stannates ASn 2 F 5 (A = K, , Rb, Cs, Tl, NH 4 ). Above a transition temperature, the anions become highly disordered; a structural phase change occurs paralleled by an abrupt increase of the conductivity.…”

Section: Crystal Structures and Propertiesmentioning

confidence: 99%

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Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

2014

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The stereochemistry of fluorides will be discussed in terms of dimensionality. This dimensionality, from 0D to 3D, is related to the connectivity of the building MX n m− units containing the metal M (M = aluminum, transition metal, or rare earth elements, X = F, O, N, S). These building units share eventually one, two, or three fluorine or oxygen atoms (corner, edge, or face of the MX n m− polyhedra) to form limited polyanions, infinite chains or layers, or a 3D network. Consequently, the structures will be presented according to their dimensionality, to their structural family, and to the nature of the building units. Imaginative associations of the building units will be eventually used to homogenize the structural descriptions. At the end of each section, some outstanding physical properties will be briefly presented and related to the structural data: ionic conductivity, superconductivity, ferroelasticity, and magnetism.The reader should be aware that the IUPAC nomenclature suggests "fluorido" instead of "fluoro" that is used all along this Review. All crystal structure projections were realized with Diamond software (Diamond -Crystal and Molecular Structure

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Section: Crystal Structures and Propertiesmentioning

confidence: 99%

“…The structures are described from SnF 5 square base pyramids linked by corners in the basal plane. The potassium (Figure a and b), rubidium (Figure c), and thallium phases satisfy a trigonal symmetry, while CsSn 2 F 5 is tetragonal (Figure d).…”

Section: Crystal Structures and Propertiesmentioning

confidence: 99%

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

2014

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“…γ-CsPbI 3 , δ-CsPbI 3 , CsPb 2 Cl 5 , and CsSnF 3 exhibit small t values, which is consistent with the structural characters. The tolerance factor of CsSn 2 F 5 with the unsaturated crystal structure is 1.172, and previous differential thermal analysis (DTA) studies confirm a single-phase transition at 514 K for CsSn 2 F 5 , in addition, three transition sequences at 440, 510, and 540 K, which may lead to the high t value. For 0D-Cs 4 PbBr 6 , it can be observed that [PbBr 6 ] 4– octahedrals do not share Br within unit cells and are separated by Cs + ions, and individual [PbBr 6 ] 4– octahedrals are not connected to adjacent octahedrals.…”

Section: Resultsmentioning

confidence: 69%

“…As displayed in Figure , the Sn 2+ cation is bonded to three fluorine ligands, and the Cs + cation is surrounded by 10 fluorine atoms. The superionic phase, α-CsSn 2 F 5 ( I 4/ mmm ), was first observed at high temperature (520 K) in which the cations compose layers perpendicular to the [001] direction and the anions are located at two partially occupied sites between the Cs and Sn layers. As for CsSnCl 3 - P 2 1 / n , CsSnCl 3 - Pm m , CsSn 2 Cl 5 - I 4/ mcm , and CsSn 2 Br 5 - I 4/ mcm in Figure , the details of crystal structures have been discussed above, while the significant difference is the substitution between halogen anions.…”

Section: Resultsmentioning

confidence: 99%

DFT Investigation of Structural Stability, Optical Properties, and PCE for All-Inorganic Cs_x(Pb/Sn)_yX_z Halide Perovskites

Zhang,

Lei,

You

et al. 2024

Inorg. Chem.

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Employing all-inorganic perovskites as light harvesters has recently drawn increasing attention owing to the strong-bonded inorganic components in the crystal. To achieve the systematic and comprehensive understanding for the structures and properties of Cs x (Pb/Sn) y X z (X = F, Cl, Br, I) perovskites, this work provides the comparison details about crystal structures, optical properties, electronic structures and power conversion efficiency (PCE) of 18 perovskites. The suitable band gaps are detected in CsSnCl3-Pm m (0.96 eV), γ-CsPbI3-Pnma (1.75 eV), and CsPbBr3-Pm m (1.78 eV), facilitating the conversion from absorbing photon energy to generating hole–electron pairs. γ-CsPbI3-Pnma and CsSnI3-P4/mbm show superior visible-absorption performance depending on their higher absorption coefficient (α); meanwhile, strong peaks can be observed in the real part (Re) of photoconductivity of CsPbBr3-Pbnm, γ-CsPbI3-Pnma, and CsSnI3-P4/mbm in the visible-light range, implying their better photoelectric conversion abilities. The perovskite/tungsten disulfide (WS2) heterojunctions are constructed to calculate the PCE. Although just the PCE result (14.43%) of CsSnI3-Pnma/WS2 is reluctantly competitive, the predictions of PCEs indicate that the PCE of PSCs (perovskite solar cells) can be improved by not only regulating the perovskite to upgrade its own performance but also designing the PSC structure reasonably including the selection of appropriate ETL/HTL (electron/hole transport layer), etc.

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“…Ever since K 2 SiF 6 :Mn 4+ was adopted as a red luminescent material in white light emitting diodes, numerous novel hexafluoridometallate phosphors have been discovered [4][5][6]. However, within the group of tin fluorides not only the hexafluoridostannates are known, but also compositions like ASn 2 F 5 (A = monovalent cation), KSnF 3 , A′SnF 4 (A′ = divalent cation), A″SnF 7 (A″ = trivalent cation), or Na 4 Sn 3 F 10 have been mentioned in the literature [7][8][9][10][11][12][13][14][15][16][17]. Nearly all of the published fluoridostannates contain tin in the oxidation state 2 +.…”

Section: Introductionmentioning

confidence: 99%

Serendipitous formation of K₁₅NaSn₅F₃₆

Stoll

Gerven

Huppertz

2020

Zeitschrift Für Naturforschung B

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K15NaSn5F36 crystallizes in the hexagonal crystal system with space group P63/m and lattice parameters of a = 1060.3(2) and c = 2011.9(4) pm. The unit-cell volume amounts to 1.9588(7) nm3. Its fundamental building blocks are quasi-isolated [SnF6]2− and [NaF6]5− octahedra, which are imbedded into a matrix of potassium cations. Within the structure, these units form a layer-like arrangement consisting either of mixed [SnF6]2−/[NaF6]5− or pure [SnF6]2− layers. The structural model was further confirmed by BLBS and CHARDI calculations.

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A high temperature superionic phase of CsSn2F5

Cited by 15 publications

References 27 publications

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

DFT Investigation of Structural Stability, Optical Properties, and PCE for All-Inorganic Cs_x(Pb/Sn)_yX_z Halide Perovskites

Serendipitous formation of K₁₅NaSn₅F₃₆

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A high temperature superionic phase of CsSn2F5

Cited by 15 publications

References 27 publications

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

DFT Investigation of Structural Stability, Optical Properties, and PCE for All-Inorganic Csx(Pb/Sn)yXz Halide Perovskites

Serendipitous formation of K15NaSn5F36

Contact Info

Product

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DFT Investigation of Structural Stability, Optical Properties, and PCE for All-Inorganic Cs_x(Pb/Sn)_yX_z Halide Perovskites

Serendipitous formation of K₁₅NaSn₅F₃₆