Crystal and band structure of K2AlTi(PO4)3 with the langbeinite-type structure

Zhao, Dan; Zhang, Hao; Huang, Shuping; Zhang, Wei Long; Yang, Song; Cheng, Weiguo

doi:10.1016/j.jallcom.2008.10.124

Cited by 16 publications

(9 citation statements)

References 17 publications

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“…Among Langbeinite-based phosphates, whose coordination networks are based on [M 2 (PO 4 ) 3 ] fragments, may result in diverse structure types due to the ′M 2 ′ sites occupied by various types of tetravalent and bi-or trivalent metal pairs. For example, the structures K 2 MTi(PO 4 ) 3 (M = Y, Yb, Er) (Norberg, 2002), K 2 FeZr(PO 4 ) 3 (Orlova et al, 2003), K 2 MSn(PO 4 ) 3 (M = Fe, Yb) (Aatiq et al, 2006), K 2 AlTi(PO 4 ) 3 (Zhao et al, 2009), K 2 FeSn(PO 4 ) 3 (Zatovsky et al, 2007) and K 2 Mn 0.5 Ti 1.5 (PO 4 ) 3 (Ogorodnyk et al, 2006), have been reported. Herein we report the single-crystal growth and structure investigation of title compound K 2 AlSn(PO 4 ) 3 .…”

Section: S1 Commentmentioning

confidence: 99%

A new langbeinite-type phosphate: K₂AlSn(PO₄)₃

Zhao

2011

Acta Cryst E

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Key indicators: single-crystal X-ray study; T = 296 K; mean (P-O) = 0.005 Å; disorder in main residue; R factor = 0.029; wR factor = 0.074; data-to-parameter ratio = 13.7.Single crystals of the title compound, dipotassium aluminium tin(IV) tris[phosphate(V)], K 2 AlSn(PO 4 ) 3 , were synthesized by a high temperature reaction in a platinum crucible. In the structure, the Al III and Sn IV atoms occupy the same site on a threefold rotation axis with occupational disorder in a 1:1 ratio. In the three-dimensional structure, Al/SnO 6 octahedra and PO 4 tetrahedra are interconnected via their vertices, yielding a [Al/SnP 3 O 12 ] n framework. The K atoms (site symmetry 3) reside in the large cavities delimited by the [Al/ SnP 3 O 12 ] n framework, and are surrounded by 12 O atoms. Related literature

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Section: S1 Commentmentioning

confidence: 99%

A new langbeinite-type phosphate: K₂AlSn(PO₄)₃

Zhao

2011

Acta Cryst E

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“…of the langbeinite-type structure[ K 2 Mg 2 (SO 4 ) 3 ], [13] determines the presence of big cations in the framework. This resultsi n the general chemicalf ormula M I x Z 2 (PO 4 ) 3 (M I = K, Rb, Cs;Z = aliovalent metal or metals;1 .0 x 2.0) for stoichiometric compounds or solid solutions, for example, K 2Àx Ti 2 (PO 4 ) 3 , [14,15] K 2 M III Ti(PO 4 ) 3 (M III = Al, [16] Er,Y b, or Y), [17] K 2 M II 0.5 Ti 1.5 (PO 4 ) 3 (M II = Ni, [18] Co, or Mn), [19] Rb 2 Yb x Ti 2Àx (PO 4 ) 3 , [20,21] and Cs 1 + x Ln x Zr 2Àx (PO 4 ) 3 (Ln = Sm-Lu). [22] Due to their high thermal and chemical stability, langbeinitetype phosphates are intensively studied asm atrixes for the storageo fr adioactivew aste from the nucleari ndustry [23] and as basic materials for luminophores.…”

Section: Introductionmentioning

confidence: 99%

“…The second packaging, associated with the formation of the langbeinite‐type structure [K 2 Mg 2 (SO 4 ) 3 ], determines the presence of big cations in the framework. This results in the general chemical formula M I x Z 2 (PO 4 ) 3 (M I =K, Rb, Cs; Z=aliovalent metal or metals; 1.0≤ x ≤2.0) for stoichiometric compounds or solid solutions, for example, K 2− x Ti 2 (PO 4 ) 3 , K 2 M III Ti(PO 4 ) 3 (M III =Al, Er, Yb, or Y), K 2 M II 0.5 Ti 1.5 (PO 4 ) 3 (M II =Ni, Co, or Mn), Rb 2 Yb x Ti 2− x (PO 4 ) 3 , and Cs 1+ x Ln x Zr 2− x (PO 4 ) 3 (Ln=Sm–Lu) …”

Section: Introductionmentioning

confidence: 99%

Partial Substitution of Potassium with Sodium in the K₂Ti₂(PO₄)₃ Langbeinite‐Type Framework: Synthesis and Crystalline Structure of K_1.75Na_0.25Ti₂(PO₄)₃

et al. 2018

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The interaction of TiN with Na2O–K2O–P2O5 melts was investigated at (Na+K)/P molar ratios of 0.9, 1.0, and 1.2 and at Na/K molar ratios of 1.0 and 2.0. Interactions in the system led to the loss of nitrogen and the partial loss of phosphorus and resulted in the formation of KTiP2O7 and langbeinite‐type K2−xNaxTi2(PO4)3 (x=0.22–0.26) solid solutions over the temperature range of 1173 to 1053 K. The phase compositions of the obtained samples were determined by using X‐ray diffraction (including Rietveld refinement), scanning electron microscopy (using energy‐dispersive X‐ray spectroscopy and element mapping), FTIR spectroscopy, and thermogravimetric analysis/differential thermal analysis. K1.75Na0.25Ti2(PO4)3 was characterized by single‐crystal X‐ray diffraction [P213 space group, a=9.851(5) Å]. The 3D framework is built up by TiO6 octahedra and PO4 tetrahedra sharing all the oxygen vertices with the formation of cavities occupied by K(Na) cations. Only one of the two crystallographically inequivalent potassium sites is partially substituted by sodium, and this was confirmed by calculating the bond‐valence sum. The thermodynamic stability of K1.75Na0.25Ti2(PO4)3 crystals and the preferable occupation sites of NaK cationic substitutions were investigated by DFT‐based electronic structure calculations performed by the plane‐wave pseudopotential method.

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“…The langbeinite-type A 2 MN(BO 4 ) 3 (A = alkali metal; M/N = transition metal; N = Si, P, S) represents a large type family of compounds containing silicate, phosphate, and sulfate. − Their large band gap, inexpensive cost, flexible structure characteristic, and high symmetry make them suitable for a luminescent host lattice. , However, so far, no reports have been published regarding phosphors of Eu 2+ -activated langbeinite-type host lattices. We note that the M/N site can be occupied by Y 3+ /Zr 4+ or Y 3+ /Hf 4+ with proper proportions as long as they fulfill the equalization of the valence, and such chemical composition modulation will affect the strength of the crystal field of Eu 2+ .…”

Section: Introductionmentioning

confidence: 99%

Two-Site Occupancy Induced a Broad-Band Emission in Phosphor K₂YZr(PO₄)₃:Eu²⁺ for White-Light-Emitting Diode Applications

Zhao

Zhang

Fan

et al. 2020

ACS Sustainable Chem. Eng.

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Developing broad-band-emitting phosphors is very important to light-emitting diode (LED) lighting and displays. We introduced Eu 2+ to solid solutions K 2 YZr 1−y Hf y (PO 4 ) 3 with a langbeinite-type structure to prepare a series of new phosphors. In this structure, two K + sites could be occupied by Eu 2+ cations to provide two different kinds of coordination environments, leading to broad emitting bands in the range of 390−700 nm. The coordination circumstance of Eu 2+ was analyzed by Gaussian fitting and time-resolved emission spectra. Furthermore, the emitting intensity and thermal stability can be improved by modulating the crystalline field via substituting Zr 4+ by Hf 4+ . When the Zr 4+ was fully substituted by Hf 4+ , the external quantum efficiency increased by 53.75%, giving a bright cyan emission. Finally, an archetype white-LED lamp was made using cyan phosphor K 2 YHf(PO 4 ) 3 :0.04Eu, red phosphor CaAlSiN 3 :Eu 2+ , and a 365 nm LED chip, which realized an applicable color rendering index (R a = 81) and a correlated color temperature (CCT = 3792 K).

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Crystal and band structure of K2AlTi(PO4)3 with the langbeinite-type structure

Cited by 16 publications

References 17 publications

A new langbeinite-type phosphate: K₂AlSn(PO₄)₃

A new langbeinite-type phosphate: K₂AlSn(PO₄)₃

Partial Substitution of Potassium with Sodium in the K₂Ti₂(PO₄)₃ Langbeinite‐Type Framework: Synthesis and Crystalline Structure of K_1.75Na_0.25Ti₂(PO₄)₃

Two-Site Occupancy Induced a Broad-Band Emission in Phosphor K₂YZr(PO₄)₃:Eu²⁺ for White-Light-Emitting Diode Applications

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Crystal and band structure of K2AlTi(PO4)3 with the langbeinite-type structure

Cited by 16 publications

References 17 publications

A new langbeinite-type phosphate: K2AlSn(PO4)3

A new langbeinite-type phosphate: K2AlSn(PO4)3

Partial Substitution of Potassium with Sodium in the K2Ti2(PO4)3 Langbeinite‐Type Framework: Synthesis and Crystalline Structure of K1.75Na0.25Ti2(PO4)3

Two-Site Occupancy Induced a Broad-Band Emission in Phosphor K2YZr(PO4)3:Eu2+ for White-Light-Emitting Diode Applications

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A new langbeinite-type phosphate: K₂AlSn(PO₄)₃

A new langbeinite-type phosphate: K₂AlSn(PO₄)₃

Partial Substitution of Potassium with Sodium in the K₂Ti₂(PO₄)₃ Langbeinite‐Type Framework: Synthesis and Crystalline Structure of K_1.75Na_0.25Ti₂(PO₄)₃

Two-Site Occupancy Induced a Broad-Band Emission in Phosphor K₂YZr(PO₄)₃:Eu²⁺ for White-Light-Emitting Diode Applications