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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Assessment of Training Performance, Degradation and Robustness of Paraffin-Wax Impregnated Nb 3 Sn Demonstrator Under High Magnetic Field

In the context of high-energy physics, the use of Nb 3 Sn superconducting magnets as a cost-effective and reliable technology depends on improvements in the following areas: long development and manufacturing cycles, conductor degradation after thermal cycling, long training, as well as a demonstration in accelerator magnets with a beam aperture of the full potential of modern Nb 3 Sn conductors. In short, performance, robustness, and cost are the three issues to be addressed. The Magnet Development project (MagDev) of the Swiss Accelerator Research and Technology initiative (CHART) at the Paul Scherrer Institute (PSI) aims to contribute to the solutions to each of these issues, re-thinking the manufacturing and design process. Here in our program, every innovation is to be validated by means of a panoply of fast-turnaround tools: from non-powered and powered samples and coils, tested under background field, to low-field subscale magnets and high field short prototypes. This work presents one element in this panoply of R&D vehicles: a stress-managed Nb 3 Sn coil called BigBOX, impregnated with paraffin wax, and tested, through a collaboration with the Magnet Development Program of the United States (US-MDP), in the background field of Brookhaven National Laboratory (BNL)’s common coils dipole DCC17.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Nb₃Sn Coating of Twin Axis Cavity for SRF Applications

The twin axis cavity with two identical accelerating beams has been proposed for energy recovery linac (ERL) applications. Nb₃Sn is a superconducting material with a higher critical temperature and a higher critical field as compared to Nb, which promises a lower operating cost due to higher quality factors. Two niobium twin axis cavities were fabricated at JLab and were proposed to be coated with Nb₃Sn. Due to their more complex geometry, the typical coating process used for basic elliptical cavi-ties needs to be improved to coat these cavities. This development advances the current coating system at JLab for coating complex cavities. Two twin axis cavities were coated recently for the first time. This contribution dis-cusses initial results from coating of twin axis cavities, RF testing and witness sample analysis with an overview of the current challenges towards high performance Nb₃Sn coated twin axis cavities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

SN 2018fif: The Explosion of a Large Red Supergiant Discovered in Its Infancy by the Zwicky Transient Facility

High-cadence transient surveys are able to capture supernovae closer to their first light than ever before. Applying analytical models to such early emission, we can constrain the progenitor stars' properties. Here, we present observations of SN 2018fif (ZTF 18abokyfk). The supernova was discovered close to first light and monitored by the Zwicky Transient Facility (ZTF) and the Neil Gehrels Swift Observatory. Early spectroscopic observations suggest that the progenitor of SN 2018fif was surrounded by relatively small amounts of circumstellar material compared to all previous cases. This particularity, coupled with the high-cadence multiple-band coverage, makes it a good candidate to investigate using shock-cooling models. We employ the SOPRANOS code, an implementation of the model by Sapir & Waxman and its extension to early times by Morag et al. Compared with previous implementations, SOPRANOS has the advantage of including a careful account of the limited temporal validity domain of the shock-cooling model as well as allowing usage of the entirety of the early UV data. We find that the progenitor of SN 2018fif was a large red supergiant with a radius of $R={744.0}_{-128.0}^{+183.0}\,{R}_{\odot }$ and an ejected mass of ${M}_{\mathrm{ej}}={9.3}_{-5.8}^{+0.4}\,{M}_{\odot }$. Our model also gives information on the explosion epoch, the progenitor's inner structure, the shock velocity, and the extinction. The distribution of radii is double-peaked, with smaller radii corresponding to lower values of the extinction, earlier recombination times, and a better match to the early UV data. If these correlations persist in future objects, denser spectroscopic monitoring constraining the time of recombination, as well as accurate UV observations (e.g., with ULTRASAT), will help break the extinction/radius degeneracy and independently determine both.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Measuring an Off-center Detonation through Infrared Line Profiles: The Peculiar Type Ia Supernova SN 2020qxp/ASASSN-20jq

In this study, we present and analyze a near-infrared (NIR) spectrum of the underluminous Type Ia supernova SN 2020qxp/ASASSN-20jq obtained with NIRES at the Keck Observatory, 191 days after B-band maximum. The spectrum is dominated by a number of broad emission features, including the [Fe ιι] at 1.644 μm, which is highly asymmetric with a tilted top and a peak redshifted by ≈2000 km s -1 . In comparison with 2D non-LTE synthetic spectra computed from 3D simulations of off-center delayed-detonation Chandrasekhar-mass (M ch ) white dwarf (WD) models, we find good agreement between the observed lines and the synthetic profiles, and are able to unravel the structure of the progenitor’s envelope. We find that the size and tilt of the [Fe ιι] 1.644 μm profile (in velocity space) is an effective way to determine the location of an off-center delayed-detonation transition (DDT) and the viewing angle, and it requires a WD with a high central density of ~4 × 10 9 g cm -3 . We also tentatively identify a stable Ni feature around 1.9 μm characterized by a “pot-belly” profile that is slightly offset with respect to the kinematic center. In the case of SN 2020qxp/ASASSN-20jq, we estimate that the location of the DDT is ~0.3M WD off center, which gives rise to an asymmetric distribution of the underlying ejecta. We also demonstrate that low-luminosity and high-density WD SN Ia progenitors exhibit a very strong overlap of Ca and 56 Ni in physical space. This results in the formation of a prevalent [Ca ιι] 0.73 μm emission feature that is sensitive to asymmetry effects. Our findings are discussed within the context of alternative scenarios, including off-center C/O detonations in He-triggered sub-M Ch WDs and the direct collision of two WDs. Snapshot programs with Gemini/Keck/Very Large Telescope (VLT)/ELT-class instruments and our spectropolarimetry program are complementary to mid-IR spectra by the James Webb Space Telescope (JWST).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The BTSbot-nearby Discovery of SN 2024jlf: Rapid, Autonomous Follow-up Probes Interaction in an 18.5 Mpc Type IIP Supernova

We present observations of the Type IIP supernova (SN) SN 2024jlf, including spectroscopy beginning just 0.7 days (∼17 hr) after first light. Rapid follow-up was enabled by the new BTSbot-nearby program, which involves autonomously triggering target-of-opportunity requests for new transients in Zwicky Transient Facility data that are coincident with nearby (D < 60 Mpc) galaxies and identified by the BTSbot machine learning model. Early photometry and nondetections shortly prior to first light show that SN 2024jlf initially brightened by >4 mag day −1 , quicker than ∼90% of Type II SNe. Early spectra reveal weak flash ionization features: narrow, short-lived (1.3 < τ[days] < 1.8) emission lines of Hα, He II , and C IV . Assuming a wind velocity of v w = 50 km s −1 , these properties indicate that the red supergiant progenitor exhibited enhanced mass loss in the last year before explosion. We constrain the mass-loss rate to $1{0}^{-4}\lt \dot{M}\,[{M}_{\odot }\,{\mathrm{yr}}^{-1}]\lt 1{0}^{-3}$ by matching observations to model grids from two independent radiative hydrodynamics codes. BTSbot-nearby automation minimizes spectroscopic follow-up latency, enabling the observation of ephemeral early-time phenomena exhibited by transients.

core-collapse supernovae↗
DOE OSTI2023

Selective thermal evolution of native oxide layer in Nb and Nb$_3$Sn-coated SRF grade Nb: An in-situ angular XPS study

This contribution discusses the results of an in-situ angular XPS study on the thermal evolution of the native oxide layer on Nb3Sn and pure Nb. XPS data were recorded with conventional spectrometers using an AlK(alpha) X-ray source for spectra collected up to 600 C, and an MgK(Alpha) X-rays source for temperatures above 600 C. The effect of the thickness, composition, and thermal stability of that oxide layer is relevant to understanding the functional properties of superconducting radiofrequency (SRF) cavities used in particle accelerators. There is a consensus that oxide plays a role in surface resistance (Rs). The focus of this study is Nb3Sn, which is a promising material that is used in the manufacturing of superconducting radiofrequency (SRF) cavities as well as in quantum sensing, and pure Nb, which was included in the study for comparison. The thermal evolution of the oxide layer in these two materials is found to be quite different, which is ascribed to the influence of the Sn atom on the reactivity of the Nb atom in Nb3Sn films. Nb and Sn atoms in this intermetallic solid have different electronegativity, and the Sn atom can reduce electron density around neighbouring Nb atoms in the solid, thus reducing their reactivity for oxygen. This is shown in the thickness, composition, and thermal stability of the oxide layer formed on Nb3Sn. The XPS spectra were complemented by grazing incident XRD patterns collected using the ESRF synchrotron radiation facility. The results discussed herein shed light on oxide evolution in the Nb3Sn compound and guide its processing for potential applications of the Nb3Sn-based SRF cavities in accelerators and other superconducting devices.

Cano, Arely↗
DOE OSTI2020

Materials Data on Sn(PO3)4 by Materials Project

Sn(PO3)4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.02–2.09 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of P–O bond distances ranging from 1.46–1.65 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–46°. There is two shorter (1.52 Å) and two longer (1.58 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(PO3)3 by Materials Project

Sn(PO3)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sn3+ is bonded to seven O2- atoms to form distorted SnO7 pentagonal bipyramids that share corners with seven PO4 tetrahedra and an edgeedge with one SnO7 pentagonal bipyramid. There are a spread of Sn–O bond distances ranging from 2.24–2.60 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SnO7 pentagonal bipyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.61 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sn3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sn3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn3+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(PO3)3 by Materials Project

Sn(PO3)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.21–2.33 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–55°. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–41°. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn3+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Sn3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(NO3)4 by Materials Project

Sn(NO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trinitrooxystannyl nitrate molecules. Sn4+ is bonded in a distorted hexagonal bipyramidal geometry to eight O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.24 Å. There are four inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. In the fourth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.20–1.33 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Sn4+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one Sn4+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fifth O2- site, O2- is bonded in an L-shaped geometry to one Sn4+ and one N5+ atom. In the sixth O2- site, O2- is bonded in an L-shaped geometry to one Sn4+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to one Sn4+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted L-shaped geometry to one Sn4+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a distorted L-shaped geometry to one Sn4+ and one N5+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the twelfth O2- site, O2- is bonded in an L-shaped geometry to one Sn4+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(SeO3)2 by Materials Project

Sn(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sn4+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.08 Å) and two longer (2.10 Å) Sn–O bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.74 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one Se4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(SeO3)2 by Materials Project

Sn(SeO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Sn4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sn–O bond lengths are 2.08 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one Se4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(PO3)3 by Materials Project

Sn(PO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Sn3+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Sn–O bond lengths are 2.24 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There is two shorter (1.51 Å) and two longer (1.61 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(PO3)3 by Materials Project

Sn(PO3)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sn3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.23–2.58 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.64 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sn3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Sn3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn3+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn3+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(PO3)4 by Materials Project

Sn(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.03–2.09 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of P–O bond distances ranging from 1.47–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–43°. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(PO3)4 by Materials Project

Sn(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.04–2.10 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of P–O bond distances ranging from 1.45–1.66 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–48°. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(PO3)4 by Materials Project

Sn(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sn4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.50 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.61 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Sn4+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn(SO4)2 by Materials Project

Sn(SO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.07–2.11 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–50°. There are a spread of S–O bond distances ranging from 1.43–1.53 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of S–O bond distances ranging from 1.42–1.53 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S6+ atom.

36 MATERIALS SCIENCE↗