This folder contains ASCII csv formatted files for the data plotted in Figs. 1, 4, 6, 7, 8a and 8b 
of the accepted manuscript 
Ryutaro Okuma, Kylie Macfarquharson, and Radu Coldea, Selective synthesis and crystal chemistry 
of candidate rare earth Kitaev materials: honeycomb and hyperhoneycomb Na2PrO3, 
Inorganic Chemistry (in press) 2024.

For the diffraction patterns, the 2theta angles are given in degrees, and the intensities and their 
uncertainties are given in arbitrary units. The bond lengths and angles are given in Å and degrees, 
respectively. For the magnetic susceptibility plots, the magnetic susceptibilities and temperature 
and given in units of cm^3/mol and K, respectively.

%Fig.1 (bottom panel) Diffraction pattern of the alpha phase.
fig1_alpha.csv			 5 columns  [2theta Observed_Intensity Calculated_Intensity Uncertainty Residual]
fig1_alpha_bragg.csv 4 columns [2theta Miller_Index_h Miller_Index_k Miller_Index_l]

%Fig.1 (middle panel) Diffraction pattern of the beta phase.
fig1_beta.csv			 5 columns  [2theta Observed_Intensity Calculated_Intensity Uncertainty Residual]
fig1_beta_bragg.csv 4 columns [2theta Miller_Index_h Miller_Index_k Miller_Index_l]

%Fig.1 (top panel) Diffraction pattern of the cubic phase.
fig1_cubic.csv			 5 columns  [2theta Observed_Intensity Calculated_Intensity Uncertainty Residual]
fig1_cubic_bragg.csv 4 columns [2theta Miller_Index_h Miller_Index_k Miller_Index_l]

%Fig.4, Observed and calculated single crystal X-ray structure factors. 
fig4.csv			 5 columns  [|Fcalc| |Fobs| Miller_Index_h Miller_Index_k Miller_Index_l]

%Fig.6, Calculated diffraction pattern of the alpha phase for the fully ordered structure (black dotted line) 
and the list of Bragg peak positions in the 2-layer C2/c (fig6_fully_ordered_bragg.csv) and in the single-layer 
C2/m structures (fig6_c2m_bragg.csv).
Data points (red open circles) and fit to a partially ordered structure (blue line) are from fig1_alpha.csv 
columns [1 2 3]  [2theta Observed_Intensity Calculated Intensity]   
fig6_fully_ordered.csv 2 columns [2theta Calculated_Intensity]
fig6_fully_ordered_bragg.csv 4 columns [2theta Miller_Index_h Miller_Index_k Miller_Index_l]
fig6_c2m_bragg.csv 4 columns [2theta Miller_Index_h Miller_Index_k Miller_Index_l]

%Fig7, Bond lengths and angles
fig7.csv 5 columns [Phase	bond_length	bond_length_uncetainty	bond_angle	bond_angle_uncertainty]

%Fig8, Temperature-dependence of the magnetic susceptibility (Chi_obs) of powder and single crystals of the 
alpha and beta phases, and their Curie-Weiss fit (Chi_calc).
fig8a_alpha.csv (blue open circles) 3 columns [T Chi_obs Chi_calc]
fig8a_beta.csv 3 (red open circles) columns [T Chi_obs Chi_calc]
fig8b_a.csv (blue line) 2 columns [T Chi_obs]
fig8b_b.csv (black line) 2 columns [T Chi_obs]
fig8b_c.csv (green line) 2 columns [T Chi_obs]
fig8b_powder.csv 2 (open circles) columns [T Chi_obs]

