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. 2020 Jun 9;7(Pt 4):581–629. doi: 10.1107/S2052252520005928

Table 11. A priori bond valences for Sm3+3Nb5+O4S3 .

Observed bond valences for Nb5+ are given in parentheses.

  Sm1 Sm2 Sm3 Nb
O1 0.392 0.402 0.369 0.837 (0.948) 2
O2 0.515 0.525   0.960 (1.057) 2
O3 0.400   0.377 ×2×2 0.845 (1.015) 2
O4 0.392 0.402 0.369 0.837 (0.595) 2
S1 0.337 ×2×2 0.348 ×2×2 0.315 ×2×2   2
S2   0.326 ×2×2 0.293 ×2×2 0.761 (0.702) 2
S3 0.313 ×2×2 0.324 0.291 0.759 (0.546) 2
3 3 3 5