Interplay of crystal structure and magnetic properties of the Eu5.08-xSrxAl3Sb6 solid solution

Zintl phases containing rare earth metals have gained attention due to their magnetic, electronic, and thermoelectric properties. Eu5.08Al3Sb6 is a new structure type (monoclinic space group C2/m) that can be described as a pseudo-rock-salt EuSb motif with the Eu-centered Sb octahedra at the origin of the unit cell, and on the C-face-center, containing either Eu (8%) or an Al4 tetrahedron modeled as a dual tetrahedron (37.5 %). The complete solid solution of Eu5.08-xSrxAl3Sb6 can be prepared; however, the cation totals vacillate from 5 to 5.24 depending on the Al content. Al K-edge XANES shows a shift to higher energy relative to Al metal, but at slightly lower energy relative to AlSb, indicating an intermediate oxidation state closer to +3 than 0. The lack of an Al K-edge shift with the incorporation of Sr suggests that changes in Sr content do not have a meaningful impact on the electronics of the Al tetrahedra. Investigation of the solid solution structures provides evidence for clas..., Al K-edge x-ray Absorption Near-Edge Structure (XANES) spectra were acquired on single crystals using a scanning transmission x-ray microscope (STXM) in a ~ 0.5 atm He-filled chamber. Spectra were recorded in topoff mode at 220 mA at the spectromicroscopy (SM) beamline 10-ID1 at the Canadian Light Source (CLS) and 500 mA at the Molecular Environmental Science (MES) beamline 11.0.2 at the Advanced Light Source (ALS). The photon energy of the medium-energy diffraction grating was calibrated to the Al K-edge for a 1000 Å aluminum filter sample (Luxel, inflection point = 1559.0 eV). The maximum energy resolution E/ΔE was previously determined at better than 7500, consistent with the observed standard deviation for spectral transitions of ±0.3 eV determined from comparing spectral features over multiple particles and beam runs. Edge shifts for Eu5.08Al3Sb6 and AlSb were determined from the half-height of the Al K absorption edge at 1559 eV and could be referenced to the half-height of the 10..., , # Data from: Interplay of crystal structure and magnetic properties of the Eu5.08-xSrxAl3Sb6 solid solution

[https://doi.org/10.5061/dryad.hhmgqnkst](https://doi.org/10.5061/dryad.hhmgqnkst)

## Description of the data and file structure

Aluminum K-edge x-ray absorption near-edge structure (XANES) spectroscopy was used to evaluate the nominal Al charge in Eu5.08Al3Sb6, Eu1.75Sr3.28Al3Sb6, and Sr5.03Al3Sb6. Sample identification: Al, AlSb Eu5.08Al3Sb6, Sr5.03Al3Sb6, and Eu1.75Sr3.28Al3Sb6. There is a space between each dataset. The data are provided in two columns, below a header containing the sample name. Column 1 is in eV, and column 2 is in intensity.

Temperature- and field-dependent magnetization were measured for Eu5-xSrxAl3Sb6 crystals, x = 0.30, 1.37, 2.44, 4.00, 4.87 and 5.03. Each data file includes columns for both sample-specific measurements and instrument diagnostics recorded throughout the experiment. The key sample data columns are labeled Temperature (K), Magnetic F...,

含稀土金属的Zintl相（Zintl phase）因兼具磁性、电子学与热电性质而受到广泛关注。Eu₅.₀₈Al₃Sb₆属于新型结构类型（单斜晶系空间群C2/m），可被描述为类岩盐型EuSb基元：以Eu为中心的Sb八面体位于晶胞原点，而C面心位置存在占比8%的Eu位点，或是被建模为双四面体的Al₄四面体（占比37.5%）。Eu₅.₀₈₋ₓSrₓAl₃Sb₆的完全固溶体可被合成，但阳离子总含量会随Al含量在5至5.24之间波动。Al K边X射线吸收近边结构（XANES）光谱显示，其相对于金属Al发生高能级位移，但相较于AlSb则略低，表明Al的氧化态更接近+3而非0。掺入Sr后Al K边未出现位移，说明Sr含量的变化对Al四面体的电子结构无显著影响。对固溶体结构的研究为clas...提供了证据。Al K边X射线吸收近边结构（XANES）光谱采用扫描透射X射线显微镜（STXM），在约0.5 atm的氦气填充腔室内对单晶样品进行采集。光谱以topoff模式记录，实验束流参数为：加拿大光源（CLS）的光谱显微术（SM）光束线10-ID1处为220 mA，先进光源（ALS）的分子环境科学（MES）光束线11.0.2处为500 mA。中能衍射光栅的光子能量以1000 Å铝滤光片样品的Al K边进行校准（Luxel，拐点能量为1559.0 eV）。最大能量分辨率E/ΔE此前已被测定优于7500，与通过多次颗粒与束流扫描的光谱特征对比得到的光谱跃迁标准差±0.3 eV相符。以1559 eV处的Al K吸收边半高值确定Eu₅.₀₈Al₃Sb₆与AlSb的边位移，并可参照10...的半高值。

# 数据来自：Eu₅.₀₈₋ₓSrₓAl₃Sb₆固溶体的晶体结构与磁学性质的相互作用
[https://doi.org/10.5061/dryad.hhmgqnkst]

## 数据与文件结构说明
铝K边X射线吸收近边结构（XANES）光谱被用于评估Eu₅.₀₈Al₃Sb₆、Eu₁.₇₅Sr₃.₂₈Al₃Sb₆与Sr₅.₀₃Al₃Sb₆中Al的名义电荷。样品标识包括：Al、AlSb、Eu₅.₀₈Al₃Sb₆、Sr₅.₀₃Al₃Sb₆及Eu₁.₇₅Sr₃.₂₈Al₃Sb₆。各数据集之间以空格分隔。数据以两列形式提供，表头行标注样品名称。第一列为能量（单位：eV），第二列为强度。
针对Eu₅₋ₓSrₓAl₃Sb₆单晶（x=0.30、1.37、2.44、4.00、4.87及5.03）的温度与场强依赖磁化强度进行了测试。每个数据文件均包含实验全程记录的样品专属测量数据与仪器诊断信息列。核心样品数据列标注为：Temperature (K)、Magnetic F...