VV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S4 | FE5 | sing | 2.38Å | 2.38Å | |
| S2 | FE2 | sing | 1.96Å | 1.96Å | |
| S3 | FE5 | sing | 2.36Å | 2.36Å | |
| S2 | FE3 | sing | 2.51Å | 2.51Å | |
| S3 | FE3 | sing | 4.23Å | 4.23Å | |
| FE3 | S4 | sing | 2.48Å | 2.48Å | |
| FE2 | S3 | sing | 2.50Å | 2.50Å | |
| S2 | FE4 | sing | 2.61Å | 2.61Å | |
| S2 | FE5 | sing | 4.84Å | 4.84Å | |
| S4 | FE4 | sing | 2.50Å | 2.50Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S4 | FE5 | S3 | 90.5° | 90.5° |
| FE5 | S4 | FE3 | 113.5° | 113.5° |
| S4 | FE5 | S2 | 49.9° | 49.9° |
| FE5 | S4 | FE4 | 71.3° | 71.3° |
| FE2 | S2 | FE3 | 61.7° | 61.7° |
| S2 | FE2 | S3 | 109.2° | 109.2° |
| FE2 | S2 | FE4 | 57.5° | 57.5° |
| FE2 | S2 | FE5 | 34.1° | 34.1° |
| FE5 | S3 | FE3 | 69.8° | 69.8° |
| FE5 | S3 | FE2 | 89.1° | 89.1° |
| S3 | FE5 | S2 | 46.4° | 46.4° |
| S2 | FE3 | S3 | 59.1° | 59.1° |
| S2 | FE3 | S4 | 98.6° | 98.6° |
| FE3 | S2 | FE4 | 80.1° | 80.1° |
| FE3 | S2 | FE5 | 57.0° | 57.0° |
| S3 | FE3 | S4 | 52.8° | 52.8° |
| FE3 | S3 | FE2 | 28.0° | 28.0° |
| FE3 | S4 | FE4 | 82.9° | 82.9° |
| FE4 | S2 | FE5 | 28.8° | 28.8° |
| S2 | FE4 | S4 | 95.4° | 95.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S4 | FE5 | S2 | FE2 | 132.4° | 132.4° |
| S4 | FE5 | S3 | S2 | 26.4° | 26.4° |
| FE5 | S4 | FE3 | S2 | 79.8° | 79.8° |
| FE5 | S4 | FE3 | S3 | 39.8° | 39.8° |
| FE5 | S4 | FE3 | FE4 | 66.0° | 66.0° |
| S4 | FE5 | S3 | FE2 | 52.3° | 52.3° |
| FE5 | S4 | FE4 | S2 | 130.9° | 130.9° |
| FE2 | S2 | FE5 | S3 | 83.1° | 83.1° |
| FE2 | S2 | FE3 | FE4 | 58.3° | 58.3° |
| FE2 | S2 | FE3 | FE5 | 39.6° | 39.6° |
| FE2 | S2 | FE3 | S3 | 34.9° | 34.9° |
| FE2 | S2 | FE3 | S4 | 71.5° | 71.5° |
| FE2 | S2 | FE4 | FE5 | 28.6° | 28.6° |
| FE2 | S2 | FE4 | S4 | 75.7° | 75.7° |
| FE5 | S3 | FE3 | S2 | 171.5° | 171.5° |
| FE5 | S3 | FE3 | FE2 | 131.1° | 131.1° |
| S3 | FE5 | S2 | FE4 | 50.9° | 50.9° |
| S3 | FE5 | S4 | FE4 | 7.1° | 7.1° |
| S2 | FE3 | S3 | S4 | 132.2° | 132.2° |
| FE3 | S2 | FE4 | FE5 | 34.0° | 34.0° |
| FE3 | S2 | FE4 | S4 | 13.1° | 13.1° |
| S3 | FE3 | S2 | FE4 | 23.3° | 23.3° |
| S3 | FE3 | S4 | FE4 | 26.2° | 26.2° |
| S4 | FE3 | S3 | FE2 | 170.4° | 170.4° |
| S3 | FE2 | S2 | FE4 | 21.7° | 21.7° |






