Advancing the Ca14AlSb11 structure type: Synthesis and characterization of Yb14CdSb11 for thermoelectric applications

The ternary phase Yb14CdSb11 has been synthesized using both flux and polycrystalline methods. The crystal structure was determined via single-crystal X-ray diffraction, revealing that it crystallizes in the Ca14AlSb11 structure type (I41/acd space group with unit cell parameters of a = 16.5962(2) Å and c = 22.1346(5) Å, 90 K, Z = 8, R1 = 2.65 %: wR2 = 4.58 %. The polycrystalline form of the compound was synthesized from a stoichiometric reaction of Yb4Sb3, CdSb, Yb, and Sb. The elemental composition was confirmed using scanning electron microscopy and energy-dispersive spectroscopy (SEM-EDS), and phase purity was verified by powder X-ray diffraction (PXRD). Thermoelectric measurements, including resistivity, Seebeck coefficient, thermal conductivity, Hall carrier concentration, and Hall mobility, were conducted from 300 to 1273 K. Yb14CdSb11 exhibited a peak zT = 0.80 at 1150 K. Carrier concentration and Hall mobility ranged from to  holescm^-3^ and from 1019 cm²V-¹s-^¹, resp..., , , # Data from: Advancing the Ca14AlSb11 structure type: Synthesis and characterization of Yb14CdSb11 for thermoelectric applications

## Description of the data and file structure

### Files and variables

#### File: Dryad_PXRD_data.zip

**Description:**  Heat capacity, powder x-ray diffraction data for CdSb, Yb4Sb3, and Yb14CdSb11, carrier concentration, mobility, electrical resistivity, Seebeck coefficients, thermal conductivity, and zT for Yb14CdSb11.

The zip file entitled Yb14CdSb11_All_Data.zip includes data files with Heat Capacity (\"Heat capacity_YbCdSb.dat\"), Powder X-ray Diffraction data of the binary precursors (\"PXRD CdSb.txt\", \"PXRD Yb4Sb3.txt\", and \"PXRD_Yb14CdSb11.txt\", and Thermoelectric transport data.

**Heat Capacity**

Heat capacity measurements of a single crystal were done in a Quantum Design PPMS from 2 K to 300 K.

**Powder X-ray Diffraction (PXRD)**

PXRD data were collected on each sample using a Bruker zero background holder on a Bruker D8 Eco Advanced employing...,