Crystal data for Cs<sub>2</sub>HfCl<sub>6</sub>

Maniv, S.

doi:10.1107/s0021889876011114

Cited by 31 publications

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“…Our work focuses on the ceramic CHC crystal. The crystal structure of CHC is cubic and isostructural to that of K 2 PtCl 6 making [ 15 ] a good candidate for ceramic research. As a single crystal, it is non‐hygroscopic, exhibits no intrinsic radioactivity, and has a high Z eff number of 58.…”

Section: Introductionmentioning

confidence: 99%

Ceramic Cs₂HfCl₆: A Novel Scintillation Material for Use in Gamma Ray Spectroscopy

Hunsaker

Goodwin

Rowe

et al. 2021

Crystal Research and Technology

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Single crystal scintillators have become one of the most common materials used in technologies that use radiation detectors. Unfortunately, as technology demands improved detectors, research into better single crystal scintillators has nearly reached its limit. Ceramics provide many benefits over single crystal scintillators and have emerged as a promising new production process. Recent research into ceramic scintillators has mostly dealt with oxides as they are relatively easy to handle and are typically non‐hygroscopic. Among single crystal scintillators, a trend has emerged indicating that the addition of halide ions into the crystal structure improves the light yield and energy resolution of the scintillation material but also tends to make the material hygroscopic and in some cases intrinsically radioactive. Little research is devoted to the investigation of undoped halide ceramic scintillators. Transparent halide Cs2HfCl6 ceramics are developed by hot uniaxial pressing, and the scintillation properties are compared to that of its single crystal counterpart. The energy resolution of the ceramic is found to be 6.4% at 662 keV. The initial results indicate that ceramic scintillators are a viable alternative and a promising new direction in scintillator material technology.

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Section: Introductionmentioning

confidence: 99%

Ceramic Cs₂HfCl₆: A Novel Scintillation Material for Use in Gamma Ray Spectroscopy

Hunsaker

Goodwin

Rowe

et al. 2021

Crystal Research and Technology

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“…Moreover, at the melting point of Cs 2 HfCl 6 (850 °C) HfCl 4 intensively sublimates (sublimation temperature at atmosphere pressure is 315 °C [7]), therefore, HfCl 4 is concentrated in the free space of the boule. It was observed that the boule composition often contained the CsCl impurity phase from the reaction mixture [1,3,8].…”

Section: Introductionmentioning

confidence: 99%

“…The crystal structure of Cs 2 HfCl 6 was first refined in 1976 from the powder X-ray diffraction (XRD) data in the cubic space group 3 Fm m (No. 225), lattice parameter a = 10.42(1) Å [8]. As input information for the refinement we utilized structural data for potassium chloroplatinate K 2 PtCl 6 [9].…”

Section: Introductionmentioning

confidence: 99%

“…The structure type of potassium platinate K 2 PtCl 6 involves a number of crystals with the general formula A 2 BX 6 , where А = Li, Na, K, Rb, Cs, B = Ti, Zr, Hf, Sn, Se, Te, and X − is the halogen ion (Cl, Br, I) [10]. The Hf-Cl distance a 0 u ≈ 2.574(1) Å was calculated in [8] using the fitting parameter u and atomic scattering factors from the International Tables for X-ray Crystallography [11]. Lauegrams of Cs 2 HfCl 6 single crystals measured in [8] show that the crystal is mosaic and the misorientation angle of the mosaic structure is 1-7°.…”

Section: Introductionmentioning

confidence: 99%

“…The Hf-Cl distance a 0 u ≈ 2.574(1) Å was calculated in [8] using the fitting parameter u and atomic scattering factors from the International Tables for X-ray Crystallography [11]. Lauegrams of Cs 2 HfCl 6 single crystals measured in [8] show that the crystal is mosaic and the misorientation angle of the mosaic structure is 1-7°. Structural parameters of Cs 2 HfCl 6 were also found in ab initio calculations in [2].…”

Section: Introductionmentioning

confidence: 99%

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SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF SCINTILLATION SINGLE CRYSTALS OF CESIUM HEXACHLOROHAFNATE Cs2HfCl6

et al. 2021

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A synthesis procedure of crystalline cesium hexachlorohafnate from cesium chloride and hafnium oxychloride octahydrate in a hydrochloric acid solution is developed. The structure of the crystals grown is studied by the energy dispersive elemental analysis, powder and single crystal X-ray diffraction. It is shown that a set of crystals is not homogeneous in composition, however, the main phase present in the composition (about 90%) is Cs 2 HfCl 6 . An additional phase found in the composition is CsCl. The atomic structure of Cs 2 HfCl 6 is determined on single crystals for the first time. The structure is refined in the space group 3 Fm m , Z = 4. The unit cell parameter of Cs 2 HfCl 6 is a = 10.399(3) Å. Interatomic distances are analyzed in the Cs 2 HfCl 6 structure. The scintillation activity of the grown crystals is examined. The light yield of the synthesized compound is found to be about 19⋅10 3 photon/MeV.

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Luminescence from Self‐Trapped Excitons and Energy Transfers in Vacancy‐Ordered Hexagonal Halide Perovskite Cs₂HfF₆ Doped with Rare Earths for Radiation Detection

Adhikari

Shrivastava

McClain

et al. 2022

Advanced Optical Materials

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Perovskite materials possess diversified structures, with a virtue of customizable chemical compositions to generate versatile chemical, mechanical, and physical properties. Traditional lead halide perovskites with the general formula APbX 3 , where A is an organic (CH 3 NH 3 + , CH(NH 2 ) 2 + ) or inorganic cation (Cs + ), and X is a halide (I − , Br − , or Cl − ), [1] have received much research as solar cells and optical materials. [2][3][4] However, the facts of toxicity and low stability of these materials have urged researchers to quest for other perovskite systems.Cs 2 HfCl 6 (CHC) is a type of Pb-free material with a vacancy-ordered double perovskite structure, with a space group of 3 Fm m (No. 225). [5] Compared with other double perovskites such as Cs 2 AgBiX 6 (X = Cl, Br) without vacancy, [6][7][8] the CHC in a 2:1:6 atomic ratio contains unoccupied B′ sites when expressed as A 2 BB′X 6 , with a low mass density of 3.56 g cm -3 . [9] This type of material with a vacancy-ordered double perovskite structure has received increasingly renewed attention in the past years. [10][11][12][13] Burger et al. have grown CHC single crystals, which were nonhygroscopic but could give high light yield by γ-rays without any intentional doping. [14] The scintillation was centered at 400 nm, with a principal decay time of 4.37 µs. Through first-principles calculations, Kang and Biswas found that although its bandgap is large (6.34 eV), the luminescence is originated from self-trapped excitons (STEs) that are caused by (HfCl 6 ) 2octahedra trapping localized carries. [15] Further, using undoped CHC single crystals, Král et al. identified photoluminescence (PL) emission bands at 380 nm by STEs, and 460 nm by defects. [16] The emissions could be tuned through dopants. [17][18][19] The CHC material has been widely studied as scintillators [14,[20][21][22][23][24][25][26][27] and light-emitting diodes (LEDs) applications. [17] Besides, other halides in this family, Cs 2 HfBr 6 (CHB) [28] and Cs 2 HfI 6 (CHI), [29,30] have also been reported as scintillators.However, the research on Cs 2 HfF 6 (CHF), the first member of the halide Cs 2 HfX 6 family, is much limited compared to other members. Unlike CHC, CHB, and CHI with a double perovskite structure, CHF crystalized as a hexagonal Bravais Compared to halides Cs 2 HfX 6 (X = Cl, Br, I) with a vacancy-ordered cubic double perovskite structure, the halide Cs 2 HfF 6 (CHF), with a hexagonal Bravais lattice, possesses a higher mass density and chemical stability for radiation detection. Luminescence properties and energy transfer mechanisms of rare-earths-doped CHF materials are studied here. The structure of CHF is identified as a new type of vacancy-ordered hexagonal perovskite, with the same type of building blocks of the double perovskite but stacked with single layers. Density-functional theory calculations reveal a large bandgap of CHF. A broad emission is observed from the pristine CHF host, which is suggested to be associated with self-trapped excitons (STEs). A series of...

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Crystal data for Cs₂HfCl₆

Abstract: The crystal structure of Cs2HfC16 was determined to be cubic, Fm3m, similar to K2PtC16, with parameters: a0 = 10.42+0.01 A, and u=0.247_+0.003. Powder diffraction data on which the determination was based are given.

Cited by 31 publications

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Ceramic Cs₂HfCl₆: A Novel Scintillation Material for Use in Gamma Ray Spectroscopy

Ceramic Cs₂HfCl₆: A Novel Scintillation Material for Use in Gamma Ray Spectroscopy

SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF SCINTILLATION SINGLE CRYSTALS OF CESIUM HEXACHLOROHAFNATE Cs2HfCl6

Luminescence from Self‐Trapped Excitons and Energy Transfers in Vacancy‐Ordered Hexagonal Halide Perovskite Cs₂HfF₆ Doped with Rare Earths for Radiation Detection

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Crystal data for Cs2HfCl6

Abstract: The crystal structure of Cs2HfC16 was determined to be cubic, Fm3m, similar to K2PtC16, with parameters: a0 = 10.42+0.01 A, and u=0.247_+0.003. Powder diffraction data on which the determination was based are given.

Cited by 31 publications

References 0 publications

Ceramic Cs2HfCl6: A Novel Scintillation Material for Use in Gamma Ray Spectroscopy

Ceramic Cs2HfCl6: A Novel Scintillation Material for Use in Gamma Ray Spectroscopy

SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF SCINTILLATION SINGLE CRYSTALS OF CESIUM HEXACHLOROHAFNATE Cs2HfCl6

Luminescence from Self‐Trapped Excitons and Energy Transfers in Vacancy‐Ordered Hexagonal Halide Perovskite Cs2HfF6 Doped with Rare Earths for Radiation Detection

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Crystal data for Cs₂HfCl₆

Ceramic Cs₂HfCl₆: A Novel Scintillation Material for Use in Gamma Ray Spectroscopy

Ceramic Cs₂HfCl₆: A Novel Scintillation Material for Use in Gamma Ray Spectroscopy

Luminescence from Self‐Trapped Excitons and Energy Transfers in Vacancy‐Ordered Hexagonal Halide Perovskite Cs₂HfF₆ Doped with Rare Earths for Radiation Detection