Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1 | doub | 1.57Å | 1.58Å | |
| P | O2 | sing | 1.61Å | 1.51Å | |
| P | O3 | sing | 1.57Å | 1.56Å | |
| P | O4 | sing | 1.57Å | 1.52Å | |
| O4 | HO4 | sing | 1.57Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P | O2 | 117.1° | 109.5° |
| O1 | P | O3 | 97.7° | 109.5° |
| O1 | P | O4 | 104.2° | 109.5° |
| O2 | P | O3 | 107.3° | 109.4° |
| O2 | P | O4 | 116.2° | 109.5° |
| O3 | P | O4 | 113.0° | 109.5° |
| P | O4 | HO4 | 104.2° | 1.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P | O2 | O3 | 108.5° | 120.0° |
| O1 | P | O2 | O4 | 124.0° | 120.0° |
| O1 | P | O3 | O4 | 109.1° | 120.0° |
| O1 | P | O4 | HO4 | 180.0° | 102.8° |
| O2 | P | O3 | O4 | 129.4° | 120.0° |
| O2 | P | O4 | HO4 | 49.6° | 17.2° |
| O3 | P | O4 | HO4 | 75.0° | 137.2° |






