|
CHARGE=-3 PULAY PM7 Nb(V)S4(3-) (JUMNAG) <Nb-S> GR=CCDC Nb 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 S 2.27415200 +1 0.0000000 +0 0.0000000 +0 1 0 0 S 2.34006908 +1 108.7939574 +1 0.0000000 +0 1 2 0 S 2.33999315 +1 108.7753871 +1 119.9711650 +1 1 2 3 S 2.34024359 +1 108.8408728 +1 120.0301162 +1 1 2 4