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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Emergent interlayer magnetic order via strain-induced orthorhombic distortion in the 5 d Mott insulator Sr 2 IrO 4

In this letter, we report a La 2 CuO 4 -like interlayer antiferromagnetic order in Sr2IrO4 films with large orthorhombic distortion (>1.5%). The biaxial lattice strain in epitaxial heterostructures of Sr 2 IrO 4 /Ca 3 Ru 2 O 7 lowers the crystal symmetry of Sr 2 IrO 4 from tetragonal ($C_4$) to orthorhombic ($C_2$), guiding the Ir $5d J_{text{eff}}$ = 1/2 pseudospin moment parallel to the elongated b axis via magnetic anisotropy. From resonant x-ray scattering experiments, we observed an antiferromagnetic order in the orthorhombic Sr 2 IrO 4 film whose interlayer stacking pattern is inverted from that of the tetragonal Sr 2 IrO 4 crystal. This interlayer stacking is similar to that of the orthorhombic La 2 CuO 4 , implying that the asymmetric interlayer exchange interactions between $\textit{a}$ and $\textit{b}$ directions exceed the anisotropic interlayer pseudodipolar interaction. Our result suggests that strain-induced distortion can provide a delicate knob for tuning the long-range magnetic order in quasi-two-dimensional systems by evoking the competition between the interlayer exchange coupling and the pseudodipolar interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Phase diagram of infinite layer praseodymium nickelate Pr 1– x Sr x NiO 2 thin films

In this paper, we report the phase diagram of infinite layer Pr 1-x Sr x NiO 2 thin films synthesized via topotactic reduction from the perovskite precursor phase using CaH 2 . Based on the electrical transport properties, we find a doping-dependent superconducting dome extending between x = 0.12 and 0.28, with a maximum superconducting transition temperature T c of 14 K at x = 0.18, bounded by weakly insulating behavior on both sides. In contrast to the narrower dome observed in Nd 1–x Sr x NiO 2 , a local T c suppression near x = 0.2 was not observed for the Pr 1-x Sr x NiO 2 system. Normal state Hall effect measurements indicate mixed carrier contributions of both electrons and holes, and show a sign change in the Hall coefficient as functions of temperature and x, quite similar to that in Nd 1-x Sr x NiO 2 . Also similar is the observation of a minimum in the normal state resistivity associated with the superconducting compositions. These findings indicate an infinite layer nickelate phase diagram that is relatively insensitive to the rare-earth element, but suggest that disorder arising from the variations of the ionic radii on the rare-earth site affects the superconducting dome.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Coulomb excitation of 80 Sr and the limits of the 𝑁 ≈ 𝑍 ≈ 40 island of deformation

The region of 𝑁 ≈ 𝑍 ≈ 40 has long been associated with strongly deformed nuclear configurations. The presence of this strong deformation was recently confirmed through lifetime measurements in 𝑁 ≈ 𝑍 Sr and Zr nuclei. Theoretically, however, these nuclei present a challenge due to the vast valence space required to incorporate all necessary orbitals. Recent state-of-the-art predictions indicate a near axial prolate deformation for 𝑁 = 𝑍 and 𝑁 = 𝑍+2 nuclei between 𝑁 = 𝑍 = 36 and 𝑁 = 𝑍 = 40. In this work we investigate the shores of this island of deformation through a sub-barrier Coulomb excitation study of the 𝑁 = 𝑍+4 nucleus, 80 Sr . Extracting a spectroscopic quadrupole moment of 𝑄 𝑠 ⁡($2^+_1$)= $0.5^{+0.8}_{−0.9}$𝑒⁢b, we find that 80 Sr is inconsistent with significant axial prolate deformation with a significance of 1.5⁢𝜎. This result, albeit with a large uncertainty, indicates that the predicted region of strong prolate deformation around 𝑁 = 𝑍 = 40 is tightly constrained to the quartet of nuclei: 76,78 Sr and 78,80 Zr .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Excitation functions and isomeric cross-section ratios of (d,xn) reactions on 86 Sr

Excitation functions of the 86 Sr(d,n) 87m,87g Y, 86 Sr(d,2n) 86m,86g Y and 86 Sr(d,3n) 85m,85g Y reactions on enriched 86 Sr target were measured by the activation technique up to deuteron energies of 49 MeV. The isomeric cross-section ratios as a function of projectile energy were deduced from the measured data for 87m Y, 87g Y(cum), 86m Y, 86g Y(cum), 85m Y and 85g Y pairs for the same energy range. All measurements are reported for the first time. The experimental data were compared with the data from the TENDL library which is based on TALYS calculation with default parameters. No satisfactory agreement was observed. Nuclear model calculations were then performed using the codes TALYS and EMPIRE with some parameter adjustments, and compared with the experimental data. The quality of the agreement between experimental data and model calculations was numerically quantified. In general, the data as well as the isomeric cross-section ratios are partially reproduced by the model calculations, provided the input model parameters are properly chosen and the level structure of the product nucleus is thoughtfully considered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Evidence that Surface-Segregated Sr Phases Can Be Removed in LSCF via Ceria Pre-Infiltration, Are Less Apt to Form in SSC

Here Ce 0.9 Gd 0.1 O 1.95−x (GDC) pre-infiltration was performed on 12 vol.% La 0.6 Sr 0.4 Co 0.8 Fe 0.2 O 3−x (LSCF) or Sm 0.5 Sr 0.5 CoO 3−x (SSC) infiltrated GDC Solid Oxide Fuel Cell cathodes. The addition of 7.5 vol.% of ∼40 nm diameter GDC nanoparticles into a ∼30 μ m thick porous scaffold of partially-sintered, sub-micron GDC particles before LSCF infiltration 1) lowered the temperature needed to produce a LSCF-GDC polarization resistance ( R P ) of 0.1 Ohm*cm 2 by ∼50 °C, and 2) reduced the amount of 500 h, 650 °C open-circuit LSCF-GDC R P degradation from ∼37% to ∼6%. In contrast, GDC pre-infiltration had no effect on the initial SSC-GDC R P or the 19% in R P degradation observed during 500 h of 650 °C open-circuit aging. X-Ray Photoelectron Spectroscopy showed that GDC pre-infiltration lowered the concentration of strontium species on the surface of the initial and 650 °C-aged LSCF-GDC, but had no effect on the initial or aged SSC-GDC Sr concentrations. Similarly, Electrochemical Impedance Spectroscopy showed that for both the initial and aged LSCF-GDC, GDC pre-infiltration improved oxygen exchange at the infiltrate-backbone and infiltrate-gas interfaces, but had no effect on the SSC-GDC. Hence, GDC pre-infiltration was concluded to improve LSCF-GDC performance and durability by scavenging exsolved Sr-rich secondary phases that form on the interfaces of LSCF, but not SSC.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crystalline Silicotitanate Batch Contact Testing with Ba, Ca, Pb, and Sr

Washington River Protection Solutions is working to support initial production of immobilized low-activity waste (LAW) by feeding Hanford tank supernate from tank farms to the Hanford Waste Treatment and Immobilization Plant (WTP) LAW Facility. This goal incorporates the design of a Tank Side Cesium Removal system, which filters tank waste supernate to remove suspended solids and then removes Cs by processing it through crystalline silicotitanate (CST) ion exchange media manufactured by Honeywell UOP, LLC. The 137 Cs-depleted product is intended to be sent to the WTP for vitrification. Processing of actual tank waste supernate showed effectively complete uptake of Sr and Ba by CST and significant uptake of Ca. Further, Campbell et al. (2019) analyzed CST post-column testing and found significant (>1E-2 mmoles/g) uptake of Ca and Pb along with some Ba, Cd, Fe, Sr, and U. This led to concern that selected metals, particularly the +2 cations, Ca, Sr, Ba, and Pb may be consuming Cs exchange sites and possibly reducing CST capacity for Cs. Exchange of +2 cations was assumed to be associated with the M(OH) + species for the metal (M) ion in the caustic solution. A series of batch contact testing was conducted to evaluate the exchange behavior of Ba, Ca, Pb, and Sr onto CST. The Cs exchange behavior was also tested as a benchmark for direct comparisons. The CST was provided in the sodium form by Honeywell UOP, as IONSIV TM R9140-B, Lot 2002009604, 18 x 50 mesh. A <30-mesh aliquot was collected to match the sieve fraction expected for use in upcoming small column test configurations. Kinetic exchange rate and isotherms were measured at metal concentrations benchmarked from the AP-107 tank waste feed composition and as limited by the metal solubility in the alkaline solution. Two simplified matrices were tested: 1) 1.0 M NaOH/4.6 M NaNO 3 and 2) 0.1 M NaOH/5.5 M NaNO 3 ; these matrices represented the expected 5.6 M Na concentration of process feed and served to address the hydroxide concentration effect on exchange behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

First-Principles Thermodynamic Assessments of Sr-Containing Secondary Phase Formation in La1-xSrxMnO3±δ Perovskites for Solid Oxide Cell Applications

Sr-secondary phase formation is a potentially significant degradation mode threatening solid-oxide cell (SOC) commercial viability. A first-principles thermodynamic study was performed for rhombohedral perovskite (La1-xSrx) MnO3±δ (LSM) to assess its stability against Sr secondary phase formation in SOC applications. In this work, the Sr secondary phase formation reaction free energies were determined by combining ab initio lattice dynamics calculations for the solid phases and an ab initio thermodynamics approach for the gas phases. Furthermore, this approach goes beyond previous thermodynamic modeling studies by integrating first-principles based point-defect equilibria into the analyses. The modeling results indicate an increased tendency to form SrO oxide from LSM upon decreasing the oxygen partial pressure. Additionally, enhancing factors to form the Sr-related secondary phase from the associated SrO activity in LSM are further quantified by considering the equilibrium of SrO reacting with contaminant gas species as a function of temperature and gas pressure.

Defect and phase stability↗
DOE OSTI2020

Materials Data on Sr(BS2)2 by Materials Project

Sr(BS2)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 3.16–3.62 Å. In the second Sr2+ site, Sr2+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Sr–S bond lengths are 3.07 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.82 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Sr2+ and one B3+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to one Sr2+ and two equivalent B3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(AlS2)2 by Materials Project

SrAl2S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.13–3.17 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Sr–S bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Sr–S bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing AlS4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.28 Å) Al–S bond lengths. In the second Al3+ site, Al3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing AlS4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.28 Å) Al–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two Sr2+ and two Al3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Al3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Al3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(GaS2)2 by Materials Project

SrGa2S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.14–3.17 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.15 Å) and four longer (3.16 Å) Sr–S bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.15 Å) and four longer (3.16 Å) Sr–S bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing GaS4 tetrahedra. There are one shorter (2.27 Å) and three longer (2.32 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing GaS4 tetrahedra. There are one shorter (2.27 Å) and three longer (2.32 Å) Ga–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Ga3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(InSe2)2 by Materials Project

SrIn2Se4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.36 Å) Sr–Se bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.27 Å) and four longer (3.38 Å) Sr–Se bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.26–3.41 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. In the second In3+ site, In3+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.59–2.66 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Sr2+ and two In3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2In2 trigonal pyramids. In the second Se2- site, Se2- is bonded to two Sr2+ and two In3+ atoms to form a mixture of distorted corner and edge-sharing SeSr2In2 trigonal pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent In3+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent In3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(InS2)2 by Materials Project

SrIn2S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.14 Å) and four longer (3.24 Å) Sr–S bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.12 Å) and four longer (3.27 Å) Sr–S bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.14–3.27 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.45–2.53 Å. In the second In3+ site, In3+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.45–2.53 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two Sr2+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing SSr2In2 trigonal pyramids. In the second S2- site, S2- is bonded to two Sr2+ and two In3+ atoms to form a mixture of distorted edge and corner-sharing SSr2In2 trigonal pyramids. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two Sr2+ and two equivalent In3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent In3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(HO)2 by Materials Project

Sr(OH)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to one H1+ and six O2- atoms. The Sr–H bond length is 2.54 Å. There are a spread of Sr–O bond distances ranging from 2.54–2.66 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Sr2+ and one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Sr2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Sr2+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(AlCl4)2 by Materials Project

Sr(AlCl4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional and consists of two Sr(AlCl4)2 frameworks. Sr2+ is bonded to eight Cl1- atoms to form distorted SrCl8 hexagonal bipyramids that share edges with four AlCl4 tetrahedra. There are a spread of Sr–Cl bond distances ranging from 3.08–3.13 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. In the second Al3+ site, Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the eighth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(PO3)2 by Materials Project

Sr(PO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.76 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.83 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.60 Å) P–O bond length. 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 1.50–1.62 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 1.50–1.62 Å. In the fourth 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. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one P5+ atom. 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 two equivalent Sr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(AsRh)2 by Materials Project

SrRh2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent As atoms. All Sr–As bond lengths are 3.33 Å. Rh is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing RhAs4 tetrahedra. All Rh–As bond lengths are 2.48 Å. As is bonded in a 8-coordinate geometry to four equivalent Sr and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(AlCl4)2 by Materials Project

Sr(AlCl4)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Sr(AlCl4)2 frameworks. Sr2+ is bonded to eight Cl1- atoms to form distorted SrCl8 hexagonal bipyramids that share edges with four equivalent AlCl4 tetrahedra. There are four shorter (3.08 Å) and four longer (3.13 Å) Sr–Cl bond lengths. Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share edges with two equivalent SrCl8 hexagonal bipyramids. All Al–Cl bond lengths are 2.16 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(AlCl4)2 by Materials Project

Sr(AlCl4)2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Sr(AlCl4)2 sheet oriented in the (1, 0, 0) direction. Sr2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are six shorter (3.09 Å) and two longer (3.13 Å) Sr–Cl bond lengths. Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) Al–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Sr2+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Sr2+ and one Al3+ atom.

36 MATERIALS SCIENCE↗