Gandara F., Uribe-Romo F.J., Britt D.K. et al. · Chemistry - A European Journal · 2012 · 10595-10601
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
The measured pellet conductivity is probably limited by grain boundaries and defects, so the true intrinsic conductivity may be higher.
Caveat: Based on SEM morphology and authors' interpretation; no single-crystal transport data were available.
p.5, article p.10599 · Electrical conductivity · Figure 6c · Linked to 2 structured results
All six METs are assigned as isostructural 3D metal-triazolate frameworks with octahedral metal coordination and a diamond-type net.
Caveat: MET-1 and MET-4 were lower-quality powder patterns and lack final Rietveld parameters in SI Table S3.
p.2, article p.10596 · Results and Discussion · Figures 1-4 · Linked to 3 structured results
The low-pressure MET-2 sorption step is attributed to an adsorbate phase transition rather than a framework structural change.
Caveat: The assignment is based on unchanged PXRD after evacuation/refill; adsorption microscopic mechanism was not directly observed.
p.4, article p.10598 · Porosity · Figure 5; Figure S32 · Linked to 1 structured result
Changing the divalent metal changes lattice parameters and tunes cavity diameters from about 4.5 to 6.1 A while retaining the same topology.
Caveat: Cavity diameters are reported as table-derived structural values rather than directly imaged pores.
p.4, article p.10598 · Porosity · Table 1; Figure 4 · Linked to 6 structured results
Iodine vapour exposure increases MET-3 pellet conductivity, possibly by oxidising FeII to FeIII and enabling mixed-valence conductivity.
Caveat: Mechanism is explicitly presented as a possible explanation rather than proven directly.
p.5, article p.10599 · Electrical conductivity · Figure 6b · Linked to 2 structured results
MET-3 is intrinsically conducting as a pristine framework pellet, with a reported room-temperature conductivity of 0.77 x 10^-4 S cm^-1.
Caveat: Measured on pressed polycrystalline pellets; authors state grain boundaries likely reduce the extracted value relative to intrinsic crystals.
p.5, article p.10599 · Electrical conductivity · Figure 6a · Linked to 1 structured result
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| MET-1 | Mg(C2H2N3)2Divalent Mg nodes octahedrally coordinated by triazolate nitrogen atoms; five metal centres form super-tetrahedral SBUs. · 1,2,3-triazolate generated from 1H-1,2,3-triazole | 3D · PristineIsostructural MET framework; dia/diamond-type network; cubic Fd-3m assignment for refined models. | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-2 | Mn(C2H2N3)2Divalent Mn nodes octahedrally coordinated by triazolate nitrogen atoms; five metal centres form super-tetrahedral SBUs. · 1,2,3-triazolate generated from 1H-1,2,3-triazole | 3D · PristineIsostructural MET framework; dia/diamond-type network; cubic Fd-3m assignment for refined models. | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-3 | Fe(C2H2N3)2Divalent Fe nodes octahedrally coordinated by triazolate nitrogen atoms; five metal centres form super-tetrahedral SBUs. · 1,2,3-triazolate generated from 1H-1,2,3-triazole | 3D · PristineIsostructural MET framework; dia/diamond-type network; cubic Fd-3m assignment for refined models. | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-4 | Co(C2H2N3)2Divalent Co nodes octahedrally coordinated by triazolate nitrogen atoms; five metal centres form super-tetrahedral SBUs. · 1,2,3-triazolate generated from 1H-1,2,3-triazole | 3D · PristineIsostructural MET framework; dia/diamond-type network; cubic Fd-3m assignment for refined models. | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-5 | Cu(C2H2N3)2Divalent Cu nodes octahedrally coordinated by triazolate nitrogen atoms; five metal centres form super-tetrahedral SBUs. · 1,2,3-triazolate generated from 1H-1,2,3-triazole | 3D · PristineIsostructural MET framework; dia/diamond-type network; cubic Fd-3m assignment for refined models. | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-6 | Zn(C2H2N3)2Divalent Zn nodes octahedrally coordinated by triazolate nitrogen atoms; five metal centres form super-tetrahedral SBUs. · 1,2,3-triazolate generated from 1H-1,2,3-triazole | 3D · PristineIsostructural MET framework; dia/diamond-type network; cubic Fd-3m assignment for refined models. | p.2, article p.10596 · Results and Discussion · Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| MET-1 (Mg) microcrystalline powderresearch_0325__mat__met_1_mg | Powder · Target Sample · Pristine Framework | as-synthesised powder after solvent exchange and vacuum drying; possible residual pore guests considered in refinements for MET-3 and MET-5 | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-2 (Mn) microcrystalline powderresearch_0325__mat__met_2_mn | Powder · Target Sample · Pristine Framework | as-synthesised powder after solvent exchange and vacuum drying; possible residual pore guests considered in refinements for MET-3 and MET-5 | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-3 pellet exposed to iodine vapourresearch_0325__mat__met_3_fe | Pellet · Target Sample · Doped | pressed pellet exposed to I2 vapour for 40 minbulk pressed pellet with thermally deposited gold electrodes · 0.5 mm pellet thickness; 1 cm diameter before iodine exposure | p.5, article p.10599 · Electrical conductivity · Figure 6b |
| MET-3 (Fe) microcrystalline powderresearch_0325__mat__met_3_fe | Powder · Target Sample · Pristine Framework | as-synthesised powder after solvent exchange and vacuum drying; possible residual pore guests considered in refinements for MET-3 and MET-5 | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-3 freshly prepared pressed pelletresearch_0325__mat__met_3_fe | Pellet · Target Sample · Pristine Framework | pressed polycrystalline pellet made from freshly prepared materialbulk pressed pellet with thermally deposited gold electrodes · 0.5 mm pellet thickness; 1 cm diameter | p.5, article p.10599 · Electrical conductivity · Figure 6a,c |
| MET-4 (Co) microcrystalline powderresearch_0325__mat__met_4_co | Powder · Target Sample · Pristine Framework | as-synthesised powder after solvent exchange and vacuum drying; possible residual pore guests considered in refinements for MET-3 and MET-5 | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-5 (Cu) microcrystalline powderresearch_0325__mat__met_5_cu | Powder · Target Sample · Pristine Framework | as-synthesised powder after solvent exchange and vacuum drying; possible residual pore guests considered in refinements for MET-3 and MET-5 | p.2, article p.10596 · Results and Discussion · Figure 1 |
| MET-6 (Zn) microcrystalline powderresearch_0325__mat__met_6_zn | Powder · Target Sample · Pristine Framework | as-synthesised powder after solvent exchange and vacuum drying; possible residual pore guests considered in refinements for MET-3 and MET-5 | p.2, article p.10596 · Results and Discussion · Figure 1 |