Synthesis and structural characterisation of transition metal fluoride sulfates

Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T.

doi:10.1039/c6dt00582a

Cited by 4 publications

(9 citation statements)

References 22 publications

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“…2) Notably,t he LiO 4 F 2 octahedron in LiBa 2 Pb(BO 3 ) 2 Fi so bserved for the first time in borates. Similar LiO 4 F 2 octahedra exist in LiMSO 4 F( M = Zn, Cu), [25] Li 1.87 Ti 1.13 O 0.39 F 1.61 (SO 4 ) 2 [26] and KLiMg 2 Ge 4 O 10 F 2 . [27] Of those, Li 1.87 Ti 1.13 O 0.39 F 1.61 (SO 4 ) 2 and KLiMg 2 Ge 4 O 10 F 2 have Li/Tia nd Li/Mg disorder,r espectively.…”

mentioning

confidence: 83%

“…Therein, the LiO 3 , LiO 3 F, LiO 2 F 2 , LiO 4 F, LiOF 4 and LiO 6 coordination modes are relatively rarely reported compared to the common LiO 4 and LiO 5 units (more than 75 %). Notably, the LiO 4 F 2 octahedron in LiBa 2 Pb(BO 3 ) 2 F is observed for the first time in borates. Similar LiO 4 F 2 octahedra exist in LiMSO 4 F (M=Zn, Cu), Li 1.87 Ti 1.13 O 0.39 F 1.61 (SO 4 ) 2 and KLiMg 2 Ge 4 O 10 F 2 . Of those, Li 1.87 Ti 1.13 O 0.39 F 1.61 (SO 4 ) 2 and KLiMg 2 Ge 4 O 10 F 2 have Li/Ti and Li/Mg disorder, respectively.…”

Section: Figurementioning

confidence: 99%

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Li₂BaSc(BO₃)₂F and LiBa₂Pb(BO₃)₂F with Layered Structures featuring Special Li−O/F Configurations

Chen

Zhang

et al. 2018

Chemistry A European J

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Two new borate fluorides, Li BaSc(BO ) F and LiBa Pb(BO ) F, with layered structures featuring special Li-O/F configurations have been successfully prepared by the high-temperature solution method. Li BaSc(BO ) F contains the first reported [Li (BO ) F] double layers that are evolved from [Be BO F ] single layers in KBe BO F through substituting BeO with the LiO F tetrahedra. The adjacent double layers are tightly connected by strong Sc-O bonds, generating the strongest interlayer bond and smallest interlayer distance among KBe BO F derivatives with double-layered structures. LiBa Pb(BO ) F features [Li(BO ) F] single layers built up of special LiO F octahedra and the BO triangles. To our best knowledge, the LiO F octahedron is observed for the first time in borates. Besides, the LiO F octahedra construct unique [LiO F] straight chains through sharing apical F atoms, which is different from the configurations of the similar six-coordinated LiO octahedra in other borates.

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confidence: 83%

Section: Figurementioning

confidence: 99%

Li₂BaSc(BO₃)₂F and LiBa₂Pb(BO₃)₂F with Layered Structures featuring Special Li−O/F Configurations

Chen

Zhang

et al. 2018

Chemistry A European J

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“…17 It has been suggested that incorporating F into a structure may enhance cation mobility by reducing electrostatic interactions along conduction channels. 18 However, the increased bond polarity which boosts the voltage of the cathode compound also increases the electron localization, which reduces the electronic conductivity of the material. Further characterization of these high voltage polyanionic compounds and the compromise between operating voltage and conductivity is critical to the field.…”

Section: Introductionmentioning

confidence: 99%

“…42 The same group also investigated Na 2 VF 3 SO 4 and inspired the solvothermal preparation described here. 18 Li 5 VF 4 (SO 4 ) 2 was prepared by a low temperature solvothermal procedure and its structure determined using single crystal X-ray diffraction.…”

Section: Introductionmentioning

confidence: 99%

Li₅VF₄(SO₄)₂: A Prototype High-Voltage Li-Ion Cathode

Vincent

Vishnoi

Preefer

et al. 2020

ACS Appl. Mater. Interfaces

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A Li-rich polyanionic compound based on V 3+ with a previously unknown structure: Li 5 VF 4 (SO 4 ) 2 , has been developed as a candidate high voltage cathode material for Li-ion batteries. The solvothermal preparation of this material, crystal structure solution, and initial electrochemical characterization are presented. An analysis based on density functional theory electronic structure calculations suggest that a high voltage close to 5 V is required to extract 2 Li and to reach an oxidation state of V 5+ . However, the use of conventional carbonate-based electrolytes, which exhibit increasing degradation above a potential of 4.3 V, does not permit the full capacity of this compound to be achieved at this time.

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“…Moreover, the levels of framework termination depend upon their fluoride contents and show numerous useful characteristics for functionality and applications. Moreover, the electron-withdrawing characteristic of F – ions may also help to stabilize the metals in coordination centers to higher oxidation states. ,, …”

Section: Introductionmentioning

confidence: 99%

Multiple Fluorine-Substituted Phosphate Germanium Fluorides and Their Thermal Stabilities

Huang

Liu

Zhuang³

et al. 2016

Inorg. Chem.

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Anhydrous compounds are crucially important for many technological applications, such as achieving high performance in lithium/sodium cells, but are often challenging to synthesize under hydrothermal conditions. Herein we report that a modified solvo-/hydro-fluorothermal method with fluoride-rich and water-deficient condition is highly effective for synthesizing anhydrous compounds by the replacement of hydroxyl groups and water molecules with fluorine. Two anhydrous phosphate germanium fluorides, namely, Na[GeF(PO)] and K[GeF(PO)], with chainlike structures involving multiple fluorine substitutions, were synthesized using the modified solvo-/hydro-fluorothermal method. The crystal structure of Na[GeF(PO)] is constructed by the common single chains {[GeF(PO)]} built from alternating GeOF octahedra and PO tetrahedra. For K[GeF(PO)], it takes the same single chain in Na[GeF(PO)] as the backbone but has additional flanking GeOF octahedra via an O-corner of the PO groups, resulting in a dendrite zigzag single chain {[GeF(PO)]}. The multiple fluorine substitutions in these compounds not only force them to adopt the low-dimensional structures because of the "tailor effect" but also improve their thermal stabilities. The thermal behavior of Na[GeF(PO)] was investigated by an in situ powder X-ray diffraction experiment from room temperature to 700 °C. The modified solvo-/hydro-fluorothermal method is also shown to be effective in producing the most germanium-rich compounds in the germanophosphate system.

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Synthesis and structural characterisation of transition metal fluoride sulfates

Cited by 4 publications

References 22 publications

Li₂BaSc(BO₃)₂F and LiBa₂Pb(BO₃)₂F with Layered Structures featuring Special Li−O/F Configurations

Li₂BaSc(BO₃)₂F and LiBa₂Pb(BO₃)₂F with Layered Structures featuring Special Li−O/F Configurations

Li₅VF₄(SO₄)₂: A Prototype High-Voltage Li-Ion Cathode

Multiple Fluorine-Substituted Phosphate Germanium Fluorides and Their Thermal Stabilities

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Synthesis and structural characterisation of transition metal fluoride sulfates

Cited by 4 publications

References 22 publications

Li2BaSc(BO3)2F and LiBa2Pb(BO3)2F with Layered Structures featuring Special Li−O/F Configurations

Li2BaSc(BO3)2F and LiBa2Pb(BO3)2F with Layered Structures featuring Special Li−O/F Configurations

Li5VF4(SO4)2: A Prototype High-Voltage Li-Ion Cathode

Multiple Fluorine-Substituted Phosphate Germanium Fluorides and Their Thermal Stabilities

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Li₂BaSc(BO₃)₂F and LiBa₂Pb(BO₃)₂F with Layered Structures featuring Special Li−O/F Configurations

Li₂BaSc(BO₃)₂F and LiBa₂Pb(BO₃)₂F with Layered Structures featuring Special Li−O/F Configurations

Li₅VF₄(SO₄)₂: A Prototype High-Voltage Li-Ion Cathode