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18 10 26 16 45

HF/LANL2DZ for rMgO

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.050 are in the 0.050 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference MgOH magnesium hydroxide-0.006
Most positive difference MgO magnesium oxide0.027

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
MgOH magnesium hydroxide 1.767 -0.006
MgO magnesium oxide 1.749 0.027