Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
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4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.110 | -0.100 | -0.090 | -0.080 | -0.070 | -0.060 | -0.050 | -0.040 | -0.030 | -0.020 | -0.010 | 0.000 | 0.010 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | LiO | lithium oxide | -0.102 |
Most positive difference | Li2O | dilithium oxide | 0.007 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
LiO | lithium oxide | 1.688 | -0.102 |
LiOH | lithium hydroxide | 1.582 | -0.012 |
Li2O | dilithium oxide | 1.606 | 0.007 |