|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
|
|
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
|
Geometry for (silicon pentafluoride anion)
1A1' D3H
1910171554
InChI=1S/F5Si/c1-6(2,3,4)5/q-1 INChIKey=
MP2/Def2TZVPP
Point group is D3h
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0000 |
0.0000 |
0.0000 |
|
0.0000 |
0.0000 |
0.0000 |
| F2 |
0.0000 |
0.0000 |
1.6720 |
|
1.6720 |
0.0000 |
0.0000 |
| F3 |
0.0000 |
1.6306 |
0.0000 |
|
0.0000 |
1.6306 |
0.0000 |
| F4 |
1.4121 |
-0.8153 |
0.0000 |
|
0.0000 |
-0.8153 |
1.4121 |
| F5 |
-1.4121 |
-0.8153 |
0.0000 |
|
0.0000 |
-0.8153 |
-1.4121 |
| F6 |
0.0000 |
0.0000 |
-1.6720 |
|
-1.6720 |
0.0000 |
0.0000 |
Atom - Atom Distances (Å)
| |
Si1 |
F2 |
F3 |
F4 |
F5 |
F6 |
| Si1 |
| 1.6720 |
1.6306 |
1.6306 |
1.6306 |
1.6720 |
| F2 |
1.6720 |
| 2.3354 |
2.3354 |
2.3354 |
3.3440 |
| F3 |
1.6306 |
2.3354 |
| 2.8242 |
2.8242 |
2.3354 |
| F4 |
1.6306 |
2.3354 |
2.8242 |
| 2.8242 |
2.3354 |
| F5 |
1.6306 |
2.3354 |
2.8242 |
2.8242 |
| 2.3354 |
| F6 |
1.6720 |
3.3440 |
2.3354 |
2.3354 |
2.3354 |
|
Maximum atom distance is 3.3440Å
between atoms F2 and F6.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F2 |
Si1 |
F3 |
90.000 |
|
F2 |
Si1 |
F4 |
90.000 |
|
F2 |
Si1 |
F5 |
90.000 |
|
F2 |
Si1 |
F6 |
180.000 |
|
F3 |
Si1 |
F4 |
120.000 |
|
F3 |
Si1 |
F5 |
120.000 |
|
F3 |
Si1 |
F6 |
90.000 |
|
F4 |
Si1 |
F5 |
120.000 |
|
F4 |
Si1 |
F6 |
90.000 |
|
F5 |
Si1 |
F6 |
90.000 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.