Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of alluaudite-type Na4Co(MoO4)3.

ABSTRACT: The title compound, tetra-sodium cobalt(II) tris-[molyb-date(IV)], was prepared by solid-state reactions. The structure is isotypic with Na3In2(AsO4)3 and Na3In2(PO4)3. The main structural feature is the presence of infinite chains of edge-sharing X 2O10 (X = Co/Na) dimers, which are linked by MoO4 tetra-hedra, forming a three-dimensional framework enclosing two types of hexa-gonal tunnels in which Na(+) cations reside. In this alluaudite structure, Co and Na atoms are located at the same general site with occupancies of 0.503?(5) and 0.497?(6), respectively. The other three Na and one of the two Mo atoms lie on special positions (site symmetries 2, -1, 2 and 2, respectively). The structure is compared with similar structures and other members of alluaudite family.

SUBMITTER: Nasri R

PROVIDER: S-EPMC4186203 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of alluaudite-type Na4Co(MoO4)3.

Nasri Rawia R Fakhar Bourguiba Noura N Zid Mohamed Faouzi MF Driss Ahmed A

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9

The title compound, tetra-sodium cobalt(II) tris-[molyb-date(IV)], was prepared by solid-state reactions. The structure is isotypic with Na3In2(AsO4)3 and Na3In2(PO4)3. The main structural feature is the presence of infinite chains of edge-sharing X 2O10 (X = Co/Na) dimers, which are linked by MoO4 tetra-hedra, forming a three-dimensional framework enclosing two types of hexa-gonal tunnels in which Na(+) cations reside. In this alluaudite structure, Co and Na atoms are located at the same genera ...[more]

PMID: 25309171

Similar Datasets

Structure cristalline de type alluaudite KNa5Mn3(MoO4)6.

Project description:The new phase potassium penta-sodium trimanganese hexa-kis(molybdate), KNa5Mn3Mo6O24, has been synthesized using solid-state methods. The structure is composed of M 2O10 (M = Mn, Na) dimers and MoO4 tetra-hedra (point group symmetry 2) sharing corners and forming layers parallel to (100), which are linked via common corners of another type of MO4 tetra-hedra, forming a three-dimensional structure with two types of large channels along [001] in which two types of Na(+) cations (one with site symmetry 2, one with -1) and K(+) cations (site symmetry 2, half-occupation) are located. Mn(2+) and the third type of Na(+) cations are located at the same site M with occupancies of 0.75 and 0.25, respectively. A comparative structural description is provided between the structure of the title compound and those of the related phases Cu1.35Fe3(PO4)3 and NaAgFeMn2(PO4)3.

| S-EPMC4331917 | biostudies-literature

Structure cristalline de type alluaudite K0.4Na3.6Co(MoO4)3.

Project description:A new triple molybdate, potassium sodium cobalt tris-(molybdate), K0.4Na3.6Co(MoO4)3, was synthesized using solid-state reactions. The Co(2+) and one Na(+) cation are located at the same general site, each with occupancy 0.5. Another site (site symmetry 2) is occupied by Na(+) and K(+) cations, with occupancies of 0.597?(7) and 0.402?(6), respectively. The other two Na(+) cations and one of the two Mo atoms lie on special positions (site symmetries -1, 2 and 2, respectively). The structure is characterized by M 2O10 (M = Co/Na) dimers, which are linked by MoO4 tetra-hedra, forming infinite layers. The latter are connected firstly by insertion of one type of MoO4 tetra-hedra and secondly by sharing corners with the other type of MoO4 tetra-hedra. This results in an open three-dimensional framework with the cavities occupied by the Na(+) and K(+) cations. The structure is isotypic with Na3In2As3O12 and Na3In2P3O12. A comparison is made with structures such as K2Co2(MoO4)3 and ?-NaFe2(MoO4)3 and their differences are discussed.

| S-EPMC4331865 | biostudies-other

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

Project description: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. The three-dimensional framework delimits two different types of channels extending along [001]. One channel hosts the Na(+) cations (site symmetry 2) surrounded by eight O atoms, with Na-O bond lengths varying between 2.2974 (13) and 2.922 (2) Å. The OH group of the HPO4 tetra-hedron points into the other type of channel and exhibits a strong hydrogen bond to an O atom of the PO4 tetra-hedron on the opposite side.

| S-EPMC4518993 | biostudies-literature

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

Project description:The title compound, Ag2Zn2Fe(VO4)3, 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 4b), and an additional silver site, as well as one zinc and one vanadium site, on twofold rotation axes (4e). One site on a general position is statistically occupied by FeIII and ZnII cations that are octa-hedrally surrounded by O atoms. The three-dimensional framework structure of the title vanadate results from [(Zn,Fe)2O10] units of edge-sharing [(Zn,Fe)O6] octa-hedra that alternate with [ZnO6] octa-hedra so as to form infinite chains parallel to [10]. These chains are linked through VO4 tetra-hedra by sharing vertices, giving rise to layers extending parallel to (010). Such layers are shared by common vanadate tetra-hedra. The resulting three-dimensional framework delimits two types of channels parallel to [001] in which the silver sites are located with four- and sixfold coordination by oxygen.

| S-EPMC6072985 | biostudies-literature

Elaboration, etude structurale et analyse CHARDI et BVS d'une nouvelle variete ?-Na9Cr(MoO4)6 de type alluaudite.

Project description:The title compound, nonasodium chromium(III) hexakis[molybdate(VI)], ?-Na9CrMo6O24, was prepared by solid-state reactions. This alluaudite-type structure is constituted of infinite layers formed by links between M 2O10 (M = C/Na) dimers and MoO4 tetra-hedra. The Na(+) and Cr(3+) cations are located in the same site with, respectively, 0.25 and 0.75 occupancies. The layers are connected to each other through MoO4 sharing corners, resulting an in open three-dimensional framework with hexa-gonal-form cavities occupied by Na(+) cations. The proposed structural model is supported by charge-distribution (CHARDI) and bond-valence-sum (BVS) analysis. All atoms are on general positions except for one Mo, two Na (site symmetry 2) and another Na site (site symmetry -1). A comparison is made with the similar structures Na4Co(MoO4)3, Na2Ni(MoO4)2, Cu1.35Fe3(PO4)3 and NaAgFeMn2(PO4)3.

| S-EPMC4908561 | biostudies-literature

Synthesis and crystal structure of NaMgFe(MoO4)3.

Project description:The iron molybdate NaMgFe(MoO4)3 {sodium magnesium iron(III) tris-[molybdate(VI)]} has been synthesized by the flux method. This compound is isostructural with ?-NaFe2(MoO4)3 and crystallizes in the triclinic space group P-1. Its structure is built up from [Mg,Fe]2O10 units of edge-sharing [Mg,Fe]O6 octa-hedra which are linked to each other through the common corners of [MoO4] tetra-hedra. The resulting anionic three-dimensional framework leads to the formation of channels along the [101] direction in which the Na(+) cations are located.

| S-EPMC4908571 | biostudies-literature

Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na2.22Mn0.87In1.68(PO4)3.

Project description:Na2.22Mn0.87In1.68(PO4)3, sodium manganese indium tris-(phosphate) (2.22/0.87/1.68), was obtained in the form of single crystals by a flux method and was structurally characterized by single-crystal X-ray diffraction. The compound belongs to the alluaudite structure type (space group C2/c) with general formula X(2)X(1)M(1)M(2)2(PO4)3. The X(2) and X(1) sites are partially occupied by sodium [occupancy 0.7676?(17) and 1/2] while the M(1) and M(2) sites are fully occupied within a mixed distribution of sodium/manganese(II) and manganese(II)/indium, respectively. The three-dimensional anionic framework is built up on the basis of M(2)2O10 dimers that share opposite edges with M(1)O6 octa-hedra, thus forming infinite chains extending parallel to [10]. The linkage between these chains is ensured by PO4 tetra-hedra through common vertices. The three-dimensional network thus constructed delimits two types of hexa-gonal channels, resulting from the catenation of M(2)2O10 dimers, M(1)O6 octa-hedra and PO4 tetra-hedra through edge- and corner-sharing. The channels are occupied by Na+ cations with coordination numbers of seven and eight.

| S-EPMC7405582 | biostudies-literature

Synthesis, crystal structure and charge-distribution validation of ?-Na4Cu(MoO4)3 adopting the alluadite structure-type.

Project description:Single crystals of a new variety of tetra-sodium copper(II) tris-[molybdate(VI)], Na4Cu(MoO4)3, have been synthesized by solid-state reactions and characterized by single-crystal X-ray diffraction. This alluaudite structure-type is characterized by the presence of infinite layers of composition (Cu/Na)2Mo3O14 parallel to the (100) plane, which are linked by MoO4 tetra-hedra, forming a three-dimensional framework containing two types of hexa-gonal channels in which Na(+) cations reside. The Cu(2+) and Na(2+) cations are located at the same general site with occupancies of 0.5. All atoms are on general positions except for one Mo, two Na (site symmetry 2) and another Na (site symmetry -1) atom. One O atom is split into two separate positions with occupancies of 0.5. The title compound is isotypic with Na5Sc(MoO4)4 and Na3In2As3O12. The structure model is supported by bond-valence-sum (BVS) and charge-distribution CHARDI methods. ?-Na4Cu(MoO4)3 is compared and discussed with the K4Cu(MoO4)3 and ?-Na4Cu(MoO4)3 structures.

| S-EPMC4971850 | biostudies-other

Synthesis, crystal structure determination of a novel phosphate Ag1.64Zn1.64Fe1.36(PO4)3 with an alluaudite-like structure.

Project description:Single crystals of Ag1.64Zn1.64Fe1.36(PO4)3 [silver zinc iron phosphate (1.64/1.64/1.36/3)] have been synthesized by a conventional solid-state reaction and structurally characterized by single-crystal X-ray diffraction. The title compound crystallizes with an alluaudite-like structure. All atoms of the structure are in general positions except for four, which reside on special positions of the space group, C2/c. The Ag+ cations reside at full occupancy on inversion centre sites and at partial occupancy (64%) on a twofold rotation axis. In this structure, the unique Fe3+ ion with one of the two Zn2+ cations are substitutionally disordered on the same general position (Wyckoff site 8f), with a respective ratio of 0.68/0.32 (occupancies were fixed so as to ensure electrical neutrality for the whole structure). The remaining O and P atoms are located in general positions. The three-dimensional framework of this structure consists of kinked chains of edge-sharing octa-hedra stacked parallel to [10]. These chains are built up by a succession of [MO6] (M = Zn/Fe or Zn) units. Adjacent chains are connected by the PO4 anions, forming sheets oriented perpendicular to [010]. These inter-connected sheets generate two types of channels parallel to the c axis, in which the Ag+ cations are located. The validity and adequacy of the proposed structural model of Ag1.64Zn1.64Fe1.36(PO4)3 was established by means of bond-valence-sum (BVS) and charge-distribution (CHARDI) analysis tools.

| S-EPMC7472751 | biostudies-literature

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

Project description: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. One Co atom, one P and one Na atom are all located on Wyckoff position 4e (2), while the second Na atom is located on an inversion centre 4a (-1). The other Co and Fe atoms occupy a general position with a statistical distribution. The open framework results from [(Co,Fe)2O10] units of edge-sharing [(Co,Fe)O6] octa-hedra, which alternate with [CoO6] octa-hedra that form infinite chains running along the [10-1] direction. These chains are linked together through PO4 tetra-hedra by the sharing of vertices so as to build layers perpendicular to [010]. The three-dimensional framework is accomplished by the stacking of these layers, leading to the formation of two types of tunnels parallel to [010] in which the Na(+) cations are located, each cation being surrounded by eight O atoms.

| S-EPMC4420128 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data