Crystal chemistry of the divalent cation in alluaudite-type phosphates: A structural and infrared spectral study of the Na1.5()1.5Fe1.5(PO4)3 solid solutions (x=0 to 1, M2+=Cd2+, Zn2+)

Hatert, Frédéric

doi:10.1016/j.jssc.2008.02.035

Cited by 38 publications

(16 citation statements)

References 43 publications

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“…The phosphorusoxygen distances are between 1.522 Å and 1.585 Å. These distances are in good agreement with the literature 16 .…”

Section: Crystal Structure Descriptionsupporting

confidence: 92%

“…The data obtained from the analysis of powder X-ray diffractograms of the two compounds are shown in Tables 1 and 2. These distances already known in the literature are typical of monophosphate and close to the distances found in Mn0,50Ti2(PO4)3 (<P -O> =1,562 (6) Å) [14][15][16] . Figure 4 where the phosphorus atom is surrounded by 4 oxygen atoms.…”

Section: Crystal Structure Descriptionsupporting

confidence: 84%

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Structural and vibrational study of titanium Monophosphates Na0.5M0.25Ti2 (PO4)3 (M = Mn, Ni)

Majdi¹,

Zerraf²,

Marouani³

et al. 2019

Mediterr.J.Chem.,

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This work is a systematic study of titanium phosphates compounds Na0.5M0.25Ti2(PO4)3 (M = Mn, Ni), which are characterized by X-ray diffraction (XRD), IR spectrometry, Raman and scanning electron microscopy. Indeed, the crystalline structures of the two compounds were determined in the orthorhombic system, with space group Pmmm (Z = 4); the determined unit cell parameters are: a = 14.59Å, b = 13.31 Å, c = 2.6 Å for Na0.5Mn0.25Ti2(PO4)3, and a = 14.60 Å, b = 13.31 Å, c = 2.67Å for Na0.5Ni0.25Ti2(PO4)3. The structures, compared to that of Li0.5M0.25Ti2(PO4)3, are constructed from [TiO6] octahedra and [PO4] tetrahedra connected by sharing angles along the c axis. The cations M = Mn2+, Ni2+, are located in half of the antiprismatic infection sites and are ordered.

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“…The phosphorusoxygen distances are between 1.522 Å and 1.585 Å. These distances are in good agreement with the literature 16 .…”

Section: Crystal Structure Descriptionsupporting

confidence: 92%

Section: Crystal Structure Descriptionsupporting

confidence: 84%

Structural and vibrational study of titanium Monophosphates Na0.5M0.25Ti2 (PO4)3 (M = Mn, Ni)

Majdi¹,

Zerraf²,

Marouani³

et al. 2019

Mediterr.J.Chem.,

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“…Such disordered cationic distributions are relatively common in alluaudite-type phosphates [8,10,11]. Cationic distributions, for the alluaudite-type phosphates synthesized in this study are given in the Table S2.…”

Section: Materials Structure Analysismentioning

confidence: 93%

“…These vacancies and the general open-framework structure of alluaudite-type compounds explain why they easily intercalate/deintercalate Li and Na-ions; in addition iron phosphate-based alluaudites show high thermal stability. All above reasons classified them among various potential promising polyanionic electrode materials in lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) [8][9][10][11][12]. Electrochemical characterizations of alluaudite materials were first reported by Durio and Richardson [13,14].…”

Section: Introductionmentioning

confidence: 99%

One-step hydrothermal synthesis and electrochemical performance of sodium-manganese-iron phosphate as cathode material for Li-ion batteries

Karegeya

Mahmoud

Vertruyen

et al. 2017

Journal of Solid State Chemistry

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A B S T R A C TThe sodium-manganese-iron phosphate Na 2 Mn 1.5 Fe 1.5 (PO 4 ) 3 (NMFP) with alluaudite structure was obtained by a one-step hydrothermal synthesis route. The physical properties and structure of this material were obtained through XRD and Mössbauer analyses. X-ray diffraction Rietveld refinements confirm a cationic distribution of Na + and presence of vacancies in A(2)', Na + and small amounts of Mn 2+ in A(1), Mn 2+ in M(1), 0.5 Mn 2+ and Fe cations (Mn 2+ ,Fe 2+ and Fe 3+ ) in M(2), leading to the structural formula Na 2 Mn(Mn 0.5 Fe 1.5 ) (PO 4 ) 3 . The particles morphology was investigated by SEM. Several reactions with different hydrothermal reaction times were attempted to design a suitable synthesis protocol of NMFP compound. The time of reaction was varied from 6 to 48 h at 220°C. The pure phase of NMFP particles was firstly obtained when the hydrothermal reaction of NMFP precursors mixture was maintained at 220°C for 6 h. When the reaction time was increased from 6 to 12, 24 and 48 h, the dandelion structure was destroyed in favor of NMFP micro-rods. The combination of NMFP (NMFP-6H, NMFP-12H, NMFP-24H and NMFP-48H) structure refinement and Mössbauer characterizations shows that the increase of the reaction time leads to the progressive increment of Fe(III) and the decrease of the crystal size. The electrochemical tests indicated that NMFP is a 3 V sodium intercalating cathode. The comparison of the discharge capacity evolution of studied NMFP electrode materials at C/5 current density shows different capacities of 48, 40, 34 and 34 mA h g −1 for NMFP-6H, NMFP-12H, NMFP-24H and NMFP-48H respectively. Interestingly, all samples show excellent capacity retention of about 99% during 50 cycles.

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“…For synthetic compounds with the same cation at M(1) and M(2), the M(1) polyhedron is systematically larger than the M(2) polyhedron, which shares two of its edges (Redhammer et al 2005, Hatert 2008. O'danielite plots close to the linear trend defined by the synthetic phases, even though the constituent M(1) and M(2) cations differ appreciably; this is because the radii (Shannon 1976) (u i -90°) 2 / 11 (Robinson et al 1971) are shown for the phosphates in Figures 4a and 4b, respectively.…”

Section: Structural Trends In Protonated Alluaudite-subgroup Phasesmentioning

confidence: 99%

GROATITE, Na Ca Mn2+2 (PO4) [PO3(OH)]2, A NEW MINERAL SPECIES OF THE ALLUAUDITE GROUP FROM THE TANCO PEGMATITE, BERNIC LAKE, MANITOBA, CANADA: DESCRIPTION AND CRYSTAL STRUCTURE

Cooper¹,

Hawthorne²,

Ball³

et al. 2009

The Canadian Mineralogist

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Groatite, ideally Na Ca Mn 2+ 2 (PO 4 ) [PO 3 (OH)] 2 , is a new mineral species from the Tanco pegmatite at Bernic Lake, Manitoba, Canada. It was found in a phosphate-carbonate mass in a spodumene-rich boulder. Groatite occurs sparingly as slightly divergent sprays of acicular crystals, embedded stellate sprays and as a tabular mass of densely intergrown acicular crystals. Groatite is closely associated with whitlockite, crandallite, an unidentified Na-Al phosphate and quartz; fairfieldite and manganese-rich overite are among the less closely associated phosphates; this assemblage may be secondary, following apparent dissolution of lithiophosphate and possibly of primary lithiophilite. Groatite is translucent, colorless to pale yellow and pale orange with a white streak and vitreous luster; it does not fluoresce under ultraviolet light. The Mohs hardness is 3. Groatite is brittle with an uneven fracture, and has a calculated density of 3.213 g/cm 0.03 ) S1.93 P 3.02 O 10 (OH) 2 . The crystal structure of groatite was refined to an R index of 2.7% based on 831 unique reflections collected on a four-circle diffractometer with MoKa X-radiation and a 4K CCD detector. There are two tetrahedrally coordinated T-sites occupied by P. There are two octahedra, M(1) and M(2), and an eight-coordinated A(2) site which are occupied by Ca, Mn and Na, respectively. The observed site-scattering, mean bond-lengths and bond-valence sums at these sites are in agreement with complete chemical order of Ca at M(1), Mn 2+ at M(2) and Na at A(2). A (PO 4 ) group is centered at the T(1) site and a PO 3 (OH) group at T(2). The H atom is located near the O(4) anion and provides a strong hydrogen bond to the O(2) anion. Groatite is isostructural with the acid arsenate mineral o'danielite and is a member of the alluaudite group; it is the first alluaudite-group mineral with an acid phosphate group. The new mineral is named in honor of Lee A. Groat, Professor of Mineralogy at the University of British Columbia in Vancouver. The species and the name groatite were approved by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association (IMA 2008-054).Keywords: groatite, new mineral species, alluaudite group, Tanco pegmatite, Bernic Lake, Manitoba, Canada, crystal structure, electron-microprobe analysis. SOMMairELa groatite, de composition idéale Na Ca Mn 2+ 2 (PO 4 ) [PO 3 (OH)] 2 , est une nouvelle espèce minérale découverte dans la pegmatite Tanco, au lac Bernic, Manitoba, Canada, dans une masse de phosphates et de carbonates dans un bloc riche en spodumène. La groatite forme des gerbes légèrement divergentes de cristaux aciculaires, des groupes de cristaux en forme d'étoiles, et aussi une masse tabulaire dense de cristaux enchevrêtrés. Elle est étroitement associée à la whitlockite, la crandallite, un § E-mail address: frank_hawthorne@umanitoba.ca 1226 THE Canadian MinEralOgiST phosphate Na-Al non identifié et le quartz; la fairfieldite et l'overite riche en Mn sont aussi présentes. ...

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Crystal chemistry of the divalent cation in alluaudite-type phosphates: A structural and infrared spectral study of the Na1.5()1.5Fe1.5(PO4)3 solid solutions (x=0 to 1, M2+=Cd2+, Zn2+)

Cited by 38 publications

References 43 publications

Structural and vibrational study of titanium Monophosphates Na0.5M0.25Ti2 (PO4)3 (M = Mn, Ni)

Structural and vibrational study of titanium Monophosphates Na0.5M0.25Ti2 (PO4)3 (M = Mn, Ni)

One-step hydrothermal synthesis and electrochemical performance of sodium-manganese-iron phosphate as cathode material for Li-ion batteries

GROATITE, Na Ca Mn2+2 (PO4) [PO3(OH)]2, A NEW MINERAL SPECIES OF THE ALLUAUDITE GROUP FROM THE TANCO PEGMATITE, BERNIC LAKE, MANITOBA, CANADA: DESCRIPTION AND CRYSTAL STRUCTURE

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