Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Structure cristalline de type alluaudite KNa5Mn3(MoO4)6.

ABSTRACT: 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.

SUBMITTER: Bouzidi C

PROVIDER: S-EPMC4331917 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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 β-NaFe2(MoO4)3 and their differences are discussed.

| S-EPMC4331865 | biostudies-literature

Structure cristalline de la triple molybdate Ag0.90Al1.06Co2.94(MoO4)5.

Project description:Silver(I) aluminiun tricobalt(II) penta-kis-[tetra-oxidomolybdate(VI)], Ag0.90Al1.06Co2.94(MoO4)5, was synthesized using a solid-state reaction at 845 K. The structure can be described as a three-dimensional framework formed from dimeric M 2O10 (M = Co/Al) and trimeric M 3O14 units linked to MoO4 tetra-hedra by sharing corners, with the cavities occupied by disordered Ag(+) cations. It is shown that the Co and Al atoms occupy common positions with different occupancies. The Ag(+) cations are located at two different sites with occupancies of 0.486 (1) and 0.408 (1). The title coumpond is isotypic with NaMg3Al(MoO4)5 and NaFe4(MoO4)5. Differences and similarities with other related structures are discussed.

| S-EPMC4438844 | biostudies-literature

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

Project description: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.

| S-EPMC4186203 | 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

Synthese et structure cristalline d'un materiau noir AgMn(II) 3(Mn(III) 0,26Al0,74)(MoO4)5.

Project description:A new silver aluminium trimangan-ese penta-molybdate {silver(I) trimanganese(II) aluminium penta-kis-[tetra-oxidomolybdate(VI)]}, AgMn(II) 3(Mn(III) 0,26Al0,74)(MoO4)5, has been synthesized using solid-state methods. The structure is composed of M 2O10 dimers, M 3O14 (M = Mn, Al) trimers and MoO4 tetra-hedra sharing corners and forming three types of layers A, B and B'. The sequence of the constituting layers is A-BB'-A-BB', with B' obtained from B by inversion symmetry, forming a three-dimensional structure with large channels in which the positionally disordered and partially occupied Ag(+) ions reside. The Mn(III) and Al(III) atoms share the same site, M. AgMn(II) 3(Mn(III) 0,26Al0,74)(MoO4)5 is isotypic with the NaMg3 X(MoO4)5 (X = Al, In) family and with NaFe4(MoO4)5. A comparative structural description is provided between the structure of the title compound and those of related phases containing dimers, trimers and tetra-mers.

| S-EPMC4350738 | biostudies-literature

Structure cristalline, caracterisation spectroscopique, calcul DFT et analyse de surface Hirshfeld du perchlorate de p-toluidinium.

Project description:The synthesis of p-toluidinium perchlorate (systematic name: 4-methyl-anilinium perchlorate), C7H10N+·ClO4-, was carried out from an aqueous reaction of perchloric acid with p-toluidine. This compound was characterized by powder XRD, IR and UV-Vis spectroscopy. The structure was further confirmed by a single-crystal X-ray diffraction study. The crystal structure is formed by a succession of two-dimensional mol-ecular layers consisting of perchlorate anions and organic cations parallel to the (100) plane and located at x = 2n + ½ (n ∈ Z). Each mixed layer is formed by infinite chains {C7H10N+·ClO4-} n parallel to the [010] direction and developing along the c axis, generating R24(8), R22(4) and R44(12) graph-set motifs. The results of a theoretical study using the DFT method at the B3LYP/6-311++G(d,p) level are in good agreement with the experimental data. Hirshfeld surface and fingerprint plots reveal that the structure is dominated by O⋯H/H⋯O (54.2%), H⋯H (26.9%) and C-H ⋯π (14.3%) contacts. The studied crystal was refined as a two-component twin.

| S-EPMC5956314 | biostudies-literature

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

Synthese et etude structrale de lyonsite-type (Na0,4,Li0,6)(Fe,Li2)(MoO4)3.

Project description:The new compound (Na0.4,Li0.6)(Fe,Li2)(MoO4)3 was synthesized by cooling from the melt. Its anionic framework is built up from two distinct MO6 octa-hedra, each containing disordered Li(+) and Fe(3+) ions in 0.6:0.4 and 0.7:0.3 ratios, and two MoO4 tetra-hedra, which link by vertex-sharing of their O atoms. These tetra-meric units are further linked by sharing edges between octa-hedra and by formation of M-O-Mo (M = Fe/Li) bridges, forming ribbons propagating in the [100] direction. The ribbons are cross-linked in both the b- and c-axis directions, giving rise to a three-dimensional framework having [100] tunnels in which the monovalent Na(+)/Li(+) cations (0.4:0.6 ratio) lie. Bond-valence calculations are consistent with the disorder model for the cations. The structure of the title compound, which is isotypic with Li3Fe(MoO4)3 and Li3Ga(MoO4)3, is compared briefly with those of LiFeMo2O8 and Li1.6Mn2.2(MoO4)3.

| S-EPMC4459335 | biostudies-literature

Structure cristalline et analyses thermique et de surface Hirshfeld du diperchlorate de 4-aza-niumyl-2,2,6,6-tetramethylpiperidin-1-ium.

Project description:The synthesis of 4-aza-niumyl-2,2,6,6-tetra-methyl-piperidin-1-ium diperchlorate, C9H22N22+·2ClO4-, was carried out from an aqueous reaction of perchloric acid with 4-amino-2,2,6,6-tetra-methyl-piperidine. This compound was characterized by TGA-DSC analysis and single-crystal X-ray diffraction. The piperidine ring of the dication adopts a chair conformation and the orientation of the C-NH3 bond is equatorial. One of the two crystallographically independent perchlorate anions exhibits disorder [occupancies 0.625?(7) and 0.375?(7)]. The crystal packing is constituted by a succession of mixed layers parallel to the (-102) plane, made up of C9H22N22+ dications and ClO4- anions. These ions are linked by normal and bifurcated N-H?O hydrogen bonds with R44(12) graph-set motifs, generating a two-dimensional network. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis.

| S-EPMC5730294 | biostudies-literature

Structure cristalline du compose intermetallique Ni18Ge12.

Project description:Single crystals of octa-deca-nickel dodeca-germanide were grown by chemical transport reaction. The inter-metallic compound crystallizes in a superstructure of the hexa-gonal NiAs type (B8 type). All atoms in the asymmetric unit lie on special positions except one Ni atom (two Ni atoms have site symmetry -6.. and another one has site symmetry .2. while the Ge atoms have site symmetries 32., m.. and 3..). In the structure, the Ni atoms are arranged in 11- or 13-vertex polyhedra (CN = 11-13). The coordination polyhedra of the Ge atoms are bicapped square anti-prisms (CN = 10) or 11-vertex polyhedra (CN = 11). The structure exhibits strong Ge⋯Ni inter-actions, but no close Ge⋯Ge contacts are observed. The Ni atoms with CN = 13 form infinite chains along [001] with an Ni-Ni distance of 2.491 (2) Å.

| S-EPMC4350741 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

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