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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Al(SnO2)2 by Materials Project

Al(SnO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded in a square co-planar geometry to four O2- atoms. All Al–O bond lengths are 1.85 Å. There are two inequivalent Sn+2.50+ sites. In the first Sn+2.50+ site, Sn+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.18 Å) and two longer (2.29 Å) Sn–O bond lengths. In the second Sn+2.50+ site, Sn+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.22 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two Sn+2.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two Sn+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al(SnO2)2 by Materials Project

Al(SnO2)2 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with twelve SnO6 octahedra. The corner-sharing octahedra tilt angles range from 46–54°. There is one shorter (1.76 Å) and three longer (1.86 Å) Al–O bond length. There are two inequivalent Sn+2.50+ sites. In the first Sn+2.50+ site, Sn+2.50+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six SnO6 octahedra. There are two shorter (2.45 Å) and four longer (2.51 Å) Sn–O bond lengths. In the second Sn+2.50+ site, Sn+2.50+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent SnO6 octahedra. All Sn–O bond lengths are 2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Al3+ and three Sn+2.50+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Al3+ and three equivalent Sn+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al(SnO2)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2022

Physical and Flow Properties of Glass Forming Chemicals (V2O5, SnO, SnO2, Cr2O3, FeCr2O4, and ZrSiO4) and Mixtures

For a sustainable nuclear waste vitrification process at the Hanford Tank Waste Treatment and Immobilization Plant (WTP), proper selection and consistent supply of glass-forming chemicals (GFCs) are crucial. Establishing rigorous acceptance criteria for the characterization of GFCs will be required to operate the vitrification facility and to mitigate any processing issues or failures. Low-activity wastes (LAW) are blended with GFCs to form slurry melter feeds and vitrified in a melter. To enhance properties of waste glasses, new chemicals are being introduced to the current GFC mixture (Vienna et al. 2016; Muller et al. 2017, 2019). In this study, three new GFCs were evaluated for enhanced LAW glass formulations: chromium oxide (Cr 2 O 3 ), vanadium oxide (V 2 O 5 ), and stannic oxide (SnO 2 ). These three oxide components are included in enhanced waste glass (EWG) formulations and GFCs with the appropriate physical and flow properties are needed. As a starting point, single metal oxide GFCs: Cr 2 O 3 , V 2 O 5 , and SnO 2 were sourced and tested. To characterize these new individual GFCs and mixtures of GFCs, the industrial bulk characterization consultant, Jenike and Johanson, was employed to measure physical and flow properties of individual GFCs and their mixtures. Pacific Northwest National Laboratory (PNNL) also measured several selected physical properties for data evaluation as a quality assurance step. In addition, PNNL measured physical and rheological properties of slurry melter feeds containing those GFCs. Subsequent data analyses and verification were conducted. The purpose of this report is to assess the applicability of these GFCs for LAW vitrification based on their properties. This report will help understand measured data and evaluate new GFCs for use. Moreover, this report may give useful insights to help troubleshoot any GFC and melter feed transport and mixing issues that arise during processing, leading to a successful cleanup mission at WTP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗