Refitted tetrahedral covalent radii for solids

The previous systems of molecular single-, double-, and triple-bond self-consistent, additive covalent radii R(AB) = r(A) + r(B) are now completed with a fit for crystals, where both atoms are tetrahedrally coordinated. A self-consistent primary fit is carried out using elements such as Si and binary compounds such as GaAs or ZnS. Further checks involve also ternary compounds such as chalcopyrites, CuInS(2), and the quaternary compounds Cu(2)ZnSnS(4) and Cu(2)ZnSnSe(4), the latter two with both kesterite and stannite structures. The input bond lengths R are taken from experimental or theoretical data. For the 30 elements in the primary fit, the mean-square deviation of the predicted R(AB) values is only 0.67 pm for the 48 systems used. The results are compared to earlier radii by Pauling and Huggins [Z. Kristallogr. A 87, 205 (1934)] or by Van Vechten and Phillips [Phys. Rev. B 2, 2160 (1970)], and to the recent molecular covalent radii.