Atomic Radii Data for Bond-Length Estimation

A data.table containing atomic radii for elements. This data is used for estimating plausible bond lengths to filter out non-physical "ghost" distances that can occur in disordered structures. Radii are in Angstroms (Å).

Usage

covalent_radii

Format

A data table with three columns:

Symbol

The chemical symbol of the element.

Radius

The atomic radius in Angstroms.

Type

The type of radius, e.g., "covalent". The default table only contains covalent radii.

Source

J. Emsley. The Elements. Third edition 1998, Oxford University Press. As provided by Julia-Maria Huebner.

Examples

head(covalent_radii)
#>    Symbol Radius     Type
#>    <char>  <num>   <char>
#> 1:      H   0.30 covalent
#> 2:     Li   1.23 covalent
#> 3:     Be   0.89 covalent
#> 4:      B   0.88 covalent
#> 5:      C   0.77 covalent
#> 6:          0.67 covalent