Research data for "Understanding the geometric diversity of inorganic and hybrid frameworks through structural coarse-graining"

<p>This dataset supports the paper:&nbsp;&quot;Understanding the geometric diversity of inorganic and hybrid frameworks through structural coarse-graining&quot;,&nbsp;available at the following DOI:&nbsp;10.1039/d0sc03287e.</p> <p>The cleaned-up,&nbsp;coarse-grained, and re-scaled structures are provided here in both XYZ and CIF format. &nbsp;The data presented in the journal&nbsp;publication is also included; namely,&nbsp;MDS coordinates, T densities, and A-site heterogeneities for each structure in the dataset. &nbsp;T densities --&nbsp;defined as:&nbsp;metals per unit volume (nm-3) --&nbsp;are&nbsp;calculated&nbsp;using the re-scaled structures.</p>