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New and refined bond valence parameters related to ion pairs constituted of the tellurium Te 4+  cation and non-oxide X   n −  anions ( X  = F, S or Se) are proposed. After a selection of specific crystalline structures, the optimization of the bond valence parameters  R  and  b  with a cutoff distance is carried out by minimizing the root mean square deviation of the Te 4+  cation valence. The results are  R  = 1.728 Å and  b  = 0.622 Å with cutoff = 5.3 Å for the Te 4+ –F −  pair and  R  = 2.444 Å and  b  = 0.387 Å with cutoff = 4.5 Å for the Te 4+ –S 2−  pair. These parameters lead to a lower dispersion of the calculated valences around the formal valence compared to that obtained with the parameters available in the literature. As for the new set related to the Te 4+ –Se 2−  pair, we find  R  = 2.578 Å and  b  = 0.296 Å with cutoff = 3.7 Å.

New and refined bond valence parameters for Te 4+ –F − , Te 4+ –S 2− and Te 4+ –Se 2− ion pairs