Insights into structure, morphology and conductivity of the earth-abundant NASICON phosphate, NaMnFe(PO).

Phosphate-based NASICON materials are an excellent candidate for both electrode and solid electrolyte materials in sodium-ion batteries (SIBs). The development of new NASICON materials with higher ionic and electronic conductivities based on low cost and abundant elements is necessary for advancement of SIBs. In this study, we report the structure, morphology and conductivity of the earth-abundant Mn/Fe-based NASICON phosphate NaMnFe(PO).

Crystal structure reinvestigation and spectroscopic analysis of tricadmium orthophosphate.

Single crystals of tricadmium orthophosphate, Cd(PO), have been synthesized successfully by the hydro-thermal route, while its powder form was obtained by a solid-solid process. The corresponding crystal structure was determined using X-ray diffraction data in the monoclinic space group 2/. The crystal structure consists of CdO or CdO dimers linked together by PO tetra-hedra through sharing vertices or edges.

A novel phosphate with Co square planar coordination, BaCoFe(PO): structural and magnetic features.

A novel phosphate containing barium, cobalt, and iron was synthesized in single-crystal and polycrystalline forms. Single crystal-based X-ray measurements revealed that it crystallizes in the monoclinic system with the 2/ space group. The structure is made up of linkages between FeO octahedra, CoO square planar units, CoO square pyramidal units, and PO tetrahedra through edges and/or vertices.

Crystal structure of barium dinickel(II) iron(III) tris-[orthophosphate(V)], BaNiFe(PO).

The orthophosphate BaNiFe(PO) has been synthesized by a solid-state reaction route and characterized by single-crystal X-ray diffraction and energy-dispersive X-ray spectroscopy. The crystal structure comprises (100) sheets made up of [NiO] dimers that are linked to two PO tetra-hedra common edges and vertices and of linear infinite [010] chains of corner-sharing [FeO] octa-hedra and [PO] tetra-hedra. The linkage of the sheets and chains into a framework is accomplished through common vertices of PO tetra-hedra and [FeO] octa-hedra.

Crystal growth, structure elucidation and CHARDI/BVS investigations of β-KCoFe(PO).

Single crystals of β-KCoFe(PO), potassium cobalt(II) iron(III) bis-(ortho-phosphate), were grown from the melt under atmospheric conditions. This phosphate crystallizes isotypically with KZnFe(PO) in space group 2/, adopting a zeolite- type of structure. The structure of the present phosphate is distinguished by an occupational disorder of the two transition-metal sites with ratios Fe:Co of 0.

Synthesis, crystal structure determination of a novel phosphate AgZnFe(PO) with an alluaudite-like structure.

Single crystals of AgZnFe(PO) [silver zinc iron phosphate (1.64/1.64/1.

Crystal structure of SrCo(OH)(PO), a new hy-droxy-phosphate.

Single crystals of strontium tetra-cobalt tris-(orthophosphate) hydroxide, SrCo(OH)(PO), were grown serendipitously under hydro-thermal conditions at 473 K. The crystal structure consists of undulating chains of edge-sharing [CoO] octa-hedra that are linked into (010) layers by common vertices between chains. Adjacent layers are linked along [010] into a framework structure by tetra-hedral [CoO] units and by PO tetra-hedra.

Synthesis and crystal structure of NaCuIn(PO).

Single crystals of sodium copper(II) indium bis-[phosphate(V)], NaCuIn(PO), were grown from the melt under atmospheric conditions. The title phosphate crystallizes in the space group 2/ and is isotypic with KCuFe(PO). In the crystal, two [CuO] trigonal bipyramids share an edge to form a dimer [CuO] that is connected to two PO tetra-hedra.

Crystal structure of silver strontium copper orthophosphate, AgSrCu(PO).

Crystals of the new compound, AgSrCu(PO), were grown successfully by the hydro-thermal process. The asymmetric unit of the crystal structure of the title compound contains 40 independent atoms (4 Sr, 4.5 Cu, 1 Ag, 6 P and 24 O), which are all in general positions except for one Cu atom, which is located on an inversion centre.

Two new glaserite-type orthovanadates: RbKDy(VO) and CsKGd(VO).

The crystal structures of dirubidium potassium dysprosium bis-(vanadate), RbKDy(VO), and caesium potassium gadolinium bis-(vanadate), CsKGd(VO), were solved from single-crystal X-ray diffraction data. Both compounds, synthesized by the reactive flux method, crystallize in the space group 1 with the glaserite structure type. VO tetra-hedra are linked to DyO or GdO octa-hedra by common vertices to form sheets stacking along the axis.

Magnetic properties of a new cobalt hydrogen vanadate with a dumortierite-like structure: Co(OH)(HVO)(VO).

The magnetic properties of a novel cobalt-based hydrogen vanadate, Co(OH)(HVO)(VO), are reported. This new magnetic material was synthesized in single-crystal form using a conventional hydrothermal method. Its crystal structure was determined from single-crystal X-ray diffraction data and was also characterized by scanning electron microscopy.

Crystal structure of a new tripotassium hexa-nickel iron hexa-phosphate.

A new potassium-nickel iron phosphate, KNiFe(PO), has been synthesized by solid-state reaction and structurally characterized by single-crystal X-ray diffraction and qualitative energy dispersive X-ray spectroscopy (EDS) analysis. The structure is built up by [FeO], [PO], and [NiO] coordination polyhedra, which are linked to each other by edge and corner sharing to form zigzag layers parallel to the plane. These layers are inter-connected by [PO] tetra-hedra and [NiO] octa-hedra common corners, leading to a three-dimensional framework delimiting large channels running along the [100] direction in which the K cations are localized.

NaMgIn(PO) and AgMgIn(PO) with alluaudite-type structures.

Single crystals of two new phosphates, sodium magnesium indium(III) tris-(orthophosphate) and silver magnesium indium(III) tris-(orthophosphate), were obtained from solid-state reactions. The two phosphates are isotypic and exhibit alluaudite-type structures. They are characterized by a cationic disorder of the Mg and In sites and a partial occupation of the Na and Ag sites, respectively.

Crystal structure of disilver(I) dizinc(II) iron(III) tris-(orthovanadate) with an alluaudite-type structure.

The title compound, AgZnFe(VO), has been synthesized by solid-state reactions and belongs to the alluaudite structure family. In the crystal structure, four sites are positioned at special positions. One silver site is located on an inversion centre (Wyckoff position 4), and an additional silver site, as well as one zinc and one vanadium site, on twofold rotation axes (4).

Crystal structure of calcium dinickel(II) iron(III) tris-(orthophosphate): CaNiFe(PO).

The title compound, CaNiFe(PO), was synthesized by solid-state reactions. Its structure is closely related to that of α-CrPO in the space group . Except for two O atoms in general positions, all atoms are located in special positions.

Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: AgCoFe(PO).

The new silver-, cobalt- and iron-based phosphate, silver cobalt iron tris(ortho-phosphate), AgCoFe(PO), was synthesized by solid-state reactions. Its structure is isotypic to that of NaCoFe(PO), and belongs to the alluaudite family, with a partial cationic disorder, the Ag atoms being located on an inversion centre and twofold rotation axis sites (Wyckoff positions 4 and 4), with partial occupancies of 0.885 (2) and 0.

Crystal structures of two alkaline earth ( = Ba and Sr) dimanganese(II) iron(III) tris-(orthophosphates).

Two new orthophosphates, BaMnFe(PO) [barium dimanganese(II) iron(III) tris-(orthophosphate)] and SrMnFe(PO) [strontium dimanganese(II) iron(III) tris-(orthophosphate)], were synthesized by solid-state reactions. They are isotypic and crystallize in the ortho-rhom-bic system with space group type . Their crystal structures comprise infinite zigzag chains of edge-sharing FeO octa-hedra (point group symmetry .

Synthesis and crystal structure of calcium dizinc iron(III) tris-(orthophosphate), CaZnFe(PO).

Single crystals of the title compound, CaZnFe(PO), were synthesized by conventional solid-state reaction. In the asymmetric unit, all atoms are located in fully occupied general positions of the 2/ space group. The zinc atoms are located on two crystallographically independent sites with tetra-hedral and distorted triangular-based bipyramidal geometries.

The alluaudite-type crystal structures of Na2(Fe/Co)2Co(VO4)3 and Ag2(Fe/Co)2Co(VO4)3.

Single crystals of the title compounds, disodium di(cobalt/iron) cobalt tris-(orthovanadate), Na2(Fe/Co)2Co(VO4)3, and disilver di(cobalt/iron) cobalt tris-(orthovanadate), Ag2(Fe/Co)2Co(VO4)3, were grown from a melt consisting of stoichiometric mixtures of three metallic cation precursors and vanadium pentoxide. The difficulty to distinguish between cobalt and iron by using X-ray diffraction alone forced us to explore several models, assuming an oxidation state of +II for Co and +III for Fe and a partial cationic disorder in the Wyckoff site 8f containing a mixture of Co and Fe with a statistical distribution for the Na compound and an occupancy ratio of 0.4875:0.

Crystal structure of strontium dicobalt iron(III) tris-(orthophosphate): SrCo2Fe(PO4)3.

The title compound, SrCo2Fe(PO4)3, has been synthesized by a solid-state reaction. It crystallizes with the α-CrPO4 type structure. In this structure, all atoms are on special positions of the Imma space group, except for two O atoms which are located on general positions.

Crystal structure of (Na0.70)(Na0.70,Mn0.30)(Fe(3+),Fe(2+))2Fe(2+)(VO4)3, a sodium-, iron- and manganese-based vanadate with the alluaudite-type structure.

The title compound, sodium (sodium,manganese) triiron(II,III) tris[vana-date(V)], (Na0.70)(Na0.70,Mn0.

Crystal structure of strontium dinickel iron orthophosphate.

The title compound, SrNi2Fe(PO4)3, synthesized by solid-state reaction, crystallizes in an ordered variant of the α-CrPO4 structure. In the asymmetric unit, two O atoms are in general positions, whereas all others atoms are in special positions of the space group Imma: the Sr cation and one P atom occupy the Wyckoff position 4e (mm2), Fe is on 4b (2/m), Ni and the other P atom are on 8g (2), one O atom is on 8h (m) and the other on 8i (m). The three-dimensional framework of the crystal structure is built up by [PO4] tetra-hedra, [FeO6] octa-hedra and [Ni2O10] dimers of edge-sharing octa-hedra, linked through common corners or edges.

Crystal structure of alluaudite-type NaMg3(HPO4)2(PO4).

The title compound, sodium trimagnesium bis-(hydrogen phosphate) phosphate, was obtained under hydro-thermal conditions. In the crystal, two types of [MgO6] octa-hedra, one with point group symmetry 2, share edges to build chains extending parallel to [10-1]. These chains are linked together by two kinds of phosphate tetra-hedra, HPO4 and PO4, the latter with point group symmetry 2.

Crystal structure of a sodium, zinc and iron(III)-based non-stoichiometric phosphate with an alluaudite-like structure: Na1.67Zn1.67Fe1.33(PO4)3.

The new title compound, disodium dizinc iron(III) tris-(phosphate), Na1.67Zn1.67Fe1.

Crystal structure of disodium dicobalt(II) iron(III) tris-(orthophosphate) with an alluaudite-like structure.

The title compound, Na2Co2Fe(PO4)3, was synthesized by a solid-state reaction. This new stoichiometric phase crystallizes in an alluaudite-like structure. In this structure, all atoms are in general positions except for four atoms which are located at the special positions of the C2/c space group.