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Materials Data on KTe by Materials Project

KTe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are two shorter (3.62 Å) and four longer (3.66 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are four shorter (3.58 Å) and two longer (3.62 Å) K–Te bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent Te1- atoms. There are one shorter (2.84 Å) and one longer (3.66 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 8-coordinate geometry to six K1+ and one Te1- atom. The Te–Te bond length is 2.83 Å.

36 MATERIALS SCIENCE↗

Materials Data on KTe by Materials Project

KTe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent Te1- atoms to form edge-sharing KTe6 octahedra. All K–Te bond lengths are 3.68 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Te1- atoms. All K–Te bond lengths are 3.56 Å. Te1- is bonded in a 7-coordinate geometry to six K1+ and one Te1- atom. The Te–Te bond length is 2.84 Å.

36 MATERIALS SCIENCE↗

Phase Discovery and Selected Synthesis of Subvalent Niobium Tellurides Using a Polytelluride Flux Strategy

Transition metal subchalcogenides involve electron-rich metals and can facilitate an in-depth understanding of the relationships among quantum properties such as superconductivity, charge density wave, and topological band structures. However, effective experimental routes toward synthesizing transition metal subchalcogenides are still lacking, hindering the development of new quantum materials. Herein, we propose a eutectic polytelluride flux strategy as an excellent solution to address phase discovery and crystal growth in transition metal subtelluride systems. We report new phases easily and selectively synthesized using a eutectic “K 3 Te 4 ” polytelluride flux upon adjusting the ratio of Nb metal to flux in the starting materials (K/Nb/Te = 3:x:4). Using a high Nb content in the solvent (x = 2 and 1), crystals of KNb 3 Te 3 O 0.38 and K 0.9 Nb 3 Te 4 are obtained. Both subtellurides exhibit diverse Nb clusters, including face-sharing and edge-sharing Nb 6 octahedral columns and zig-zag Nb chains. Reducing the Nb content to x = 0.33 leads to the formation of a layered compound, K 1.06 NbTe 2 . This compound comprises a NbTe 6 trigonal prism with K intercalated between the layers. Single crystals of known binary Nb tellurides can also be grown using another eutectic flux “KTe 3 . 2 ”, and the obtained NbTe 2 exhibits a new polymorphism with extra trimerization along the b-axis in the Nb–Nb bonded double zig-zag cluster. Finally, precise control over the structural dimensionality and oxidation state, combined with the facile crystal growth process, makes our synthetic strategy an efficient route to explore quantum materials in transition metal subchalcogenides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Requalification and Declaration of High-alpha Cemented TRU-waste from the Late 70's and Early 80's - 20499

KTE and Siemens launched a project to qualify a series of 391 waste drums and 115 concrete containers produced from 1979 to 1984. The waste is characterized by a high content of long-lived alpha-nuclides (TRU-waste - Pu, U, Am in the range of 1 E+11-1 E+12 Bq/ drum. This high radionuclide inventory requires a special packaging according to the waste acceptance criteria (WAC) of the repository Konrad [1] despite the fact, that the waste was treated manually. The raw waste originally was delivered in nitric acid solution and was solidified using ordinary Portland cement. The existing documentation comprises analyses, transfer documentation for the nuclear fuel nuclides and waste treatment documentation yielding information, which waste was treated together in a batch. Additionally all drums were subjected to non-destructive gamma-spectrometry assay. A small number of 7 drums were opened and sampled to support the existing declaration. For the entire series the waste products were attributed to defined batches using the accountancy data supported by the analyses and the gamma-spectrometry. Each batch was produced from a homogeneous stock of waste solution and can therefore be declared and documented together. The declaration concept is based on the gamma spectrometry results performed on the entire drums, which were corrected and extended for the uncertainty of the analyses. The declaration concept is verified by the regulator and its independent expert. The state of the project is in the documentation of the solidification campaigns followed by the planning of the container configuration. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗