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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 AsF5 (Arsenic pentafluoride)
1A1' D3H
1910171554
InChI=1S/AsF5/c2-1(3,4,5)6 INChIKey=YBGKQGSCGDNZIB-UHFFFAOYSA-N
B97D3/aug-cc-pVTZ
Point group is D3h
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| As1 |
0.0000 |
0.0000 |
0.0000 |
|
0.0000 |
0.0000 |
0.0000 |
| F2 |
0.0000 |
1.7057 |
0.0000 |
|
0.0000 |
1.2061 |
-1.2061 |
| F3 |
1.4772 |
-0.8528 |
0.0000 |
|
0.0000 |
0.4415 |
1.6476 |
| F4 |
-1.4772 |
-0.8528 |
0.0000 |
|
0.0000 |
-1.6476 |
-0.4415 |
| F5 |
0.0000 |
0.0000 |
1.7278 |
|
1.7278 |
0.0000 |
0.0000 |
| F6 |
0.0000 |
0.0000 |
-1.7278 |
|
-1.7278 |
0.0000 |
0.0000 |
Atom - Atom Distances (Å)
| |
As1 |
F2 |
F3 |
F4 |
F5 |
F6 |
| As1 |
| 1.7057 |
1.7057 |
1.7057 |
1.7278 |
1.7278 |
| F2 |
1.7057 |
| 2.9543 |
2.9543 |
2.4279 |
2.4279 |
| F3 |
1.7057 |
2.9543 |
| 2.9543 |
2.4279 |
2.4279 |
| F4 |
1.7057 |
2.9543 |
2.9543 |
| 2.4279 |
2.4279 |
| F5 |
1.7278 |
2.4279 |
2.4279 |
2.4279 |
| 3.4557 |
| F6 |
1.7278 |
2.4279 |
2.4279 |
2.4279 |
3.4557 |
|
Maximum atom distance is 3.4557Å
between atoms F5 and F6.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F2 |
As1 |
F3 |
120.000 |
|
F2 |
As1 |
F4 |
120.000 |
|
F2 |
As1 |
F5 |
90.000 |
|
F2 |
As1 |
F6 |
90.000 |
|
F3 |
As1 |
F4 |
120.000 |
|
F3 |
As1 |
F5 |
90.000 |
|
F3 |
As1 |
F6 |
90.000 |
|
F4 |
As1 |
F5 |
90.000 |
|
F4 |
As1 |
F6 |
90.000 |
|
F5 |
As1 |
F6 |
180.000 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.