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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for MgS (magnesium sulfide)
1Σ C*V
1910171554
InChI=1S/Mg.S INChIKey=SMDQFHZIWNYSMR-UHFFFAOYSA-N
HF/CEP-121G
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Mg1 |
0.0000 |
0.0000 |
-1.6699 |
S2 |
0.0000 |
0.0000 |
0.5566 |
Atom - Atom Distances (Å)
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Mg1 |
S2 |
Mg1 |
| 2.2265 |
S2 |
2.2265 |
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Maximum atom distance is 2.2265Å
between atoms Mg1 and S2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.