README 

Explanatory notes for the datacat datasets for "Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch"
This dataset contains the raw experimental data, as well as numerical computational output from VASP calculations
All files are text files delimited by spaces or commas, and thus can be read into any program such as excel, origin, or code like python, or directly viewed in any text editor
The relevant variables and units in the line above the columns of data in each file
The experimental and computational source of all the data is explained in the supplementary information of the paper

Experimental Data: 

Thermal conductivity data are supplied for both perpendicular to pellet plane axis and paralell to it for BiOCl, Bi4O4SeCl2 and Bi2O2Se in the files:
Bi2O2Se_thermalandelectrical_par.txt
Bi2O2Se_thermalcond_perp.txt
Bi4O4SeCl2_thermalcond_par.txt
Bi4O4SeCl2_thermalcond_perp.txt
BiOCl_thermalcond_par.txt
BiOCl_thermalcond_perp.txt

Where par and perp mean parallell and perpendicular, respectively

Single crystal thermal conductivity for the in-plane direction is provided for Bi4O4SeCl2 in the file: 

Bi4O4SeCl2_single_xtal.txt

Electrical conductivity is supplied for Bi4O4SeCl2 and Bi2O2Se - it was too low to measure on the PPMS for BiOCl. These are in the files: 

These are provided in the files
Bi4O4SeCl2_single_xtal.txt
Bi4O4SeCl2_bar_par_electrical.txt
and
Bi2O2Se_thermalandelectrical_par.txt



Heat capacity data for all three compounds is provided in the files:
Bi4O4SeCl2_heatcapacity.txt
BiOCl_Heatcapacity.txt
Bi2O2Se_heatcapacity.txt
Powder X-Ray diffraction for all three compounds is provided in the files:
BiOCl_pellet_PXRD.txt
Bi4O4SeCl2_pellet_PXRD.txt
Bi2O2Se_pellet_PXRD.txt

Measured inelastic neutron scattering (INS) is found in the file:

INS.txt

Calculations

The calculated bandstructure along the Gamma-Z direction is provided in the files:
Bi2O2Se-primitive-GZ.txt
Bi4O4SeCl2-primitive-GZ.txt
BiOCl_GZ.txt

The full calculated bandstructure is provided as an image with an appropriately scaled y-axis (in units of cm^-1) is provided in the files:
BiOCl_bands.txt
Bi2O2Se_bands.txt
Bi4O4SeCl2_bands.txt

Calculated phonon DOS is provided in the files
Bi4O4SeCl2_DOS.txt
Bi2O2Se_DOS.txt
BiOCl_DOS.txt

Calculated IPR is provided in the file

IPR.txt