OER
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | MN1 | sing | 1.96Å | 2.06Å | |
| O1 | MN2 | sing | 1.93Å | 1.94Å | |
| MN1 | O3 | sing | 1.92Å | 1.93Å | |
| O2 | MN2 | sing | 1.93Å | 1.75Å | |
| O2 | MN3 | sing | 1.93Å | 1.72Å | |
| MN2 | O3 | sing | 1.93Å | 2.01Å | |
| O3 | MN3 | sing | 1.92Å | 2.01Å | |
| MN3 | O4 | sing | 1.92Å | 1.73Å | |
| MN3 | O5 | sing | 1.93Å | 2.48Å | |
| O4 | MN4 | sing | 1.92Å | 1.87Å | |
| SR1 | O2 | sing | 2.61Å | 2.64Å | |
| SR1 | O5 | sing | 2.56Å | 2.56Å | |
| SR1 | O1 | sing | 2.61Å | 2.42Å | |
| MN4 | O5 | sing | 1.92Å | 2.58Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| MN1 | O1 | MN2 | 89.0° | 89.8° |
| O1 | MN1 | O3 | 87.2° | 88.1° |
| MN1 | O1 | SR1 | 104.4° | 104.2° |
| O1 | MN2 | O2 | 84.2° | 93.6° |
| O1 | MN2 | O3 | 88.4° | 88.8° |
| MN2 | O1 | SR1 | 108.3° | 100.4° |
| MN1 | O3 | MN2 | 90.6° | 91.2° |
| MN1 | O3 | MN3 | 115.6° | 111.2° |
| MN2 | O2 | MN3 | 115.7° | 90.8° |
| O2 | MN2 | O3 | 72.7° | 88.7° |
| MN2 | O2 | SR1 | 105.9° | 100.6° |
| O2 | MN3 | O3 | 73.3° | 88.8° |
| O2 | MN3 | O4 | 105.8° | 90.7° |
| O2 | MN3 | O5 | 84.8° | 92.9° |
| MN3 | O2 | SR1 | 110.7° | 99.8° |
| MN2 | O3 | MN3 | 93.8° | 91.0° |
| O3 | MN3 | O4 | 176.1° | 179.2° |
| O3 | MN3 | O5 | 82.5° | 91.0° |
| O4 | MN3 | O5 | 93.7° | 88.4° |
| MN3 | O4 | MN4 | 105.1° | 91.1° |
| MN3 | O5 | SR1 | 92.1° | 101.5° |
| MN3 | O5 | MN4 | 68.8° | 90.9° |
| O4 | MN4 | O5 | 87.5° | 88.5° |
| O2 | SR1 | O5 | 67.5° | 65.5° |
| O2 | SR1 | O1 | 58.4° | 65.1° |
| O5 | SR1 | O1 | 81.2° | 76.4° |
| SR1 | O5 | MN4 | 102.5° | 95.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| MN1 | O1 | MN2 | SR1 | 104.9° | 104.4° |
| MN1 | O1 | MN2 | O2 | 88.9° | 99.5° |
| MN1 | O1 | MN2 | O3 | 16.1° | 10.9° |
| O1 | MN1 | O3 | MN3 | 78.4° | 80.6° |
| MN1 | O1 | SR1 | O2 | 81.5° | 88.4° |
| MN1 | O1 | SR1 | O5 | 12.5° | 19.4° |
| O1 | MN2 | O2 | O3 | 90.1° | 88.7° |
| O1 | MN2 | O2 | MN3 | 108.6° | 95.2° |
| O1 | MN2 | O3 | MN3 | 98.6° | 100.1° |
| MN2 | O1 | SR1 | O2 | 12.3° | 4.0° |
| MN2 | O1 | SR1 | O5 | 81.3° | 73.1° |
| MN1 | O3 | MN2 | O2 | 101.6° | 104.7° |
| MN1 | O3 | MN3 | O2 | 78.1° | 85.2° |
| MN1 | O3 | MN2 | MN3 | 115.7° | 111.2° |
| MN1 | O3 | MN3 | O4 | 1.4° | 32.4° |
| MN1 | O3 | MN3 | O5 | 8.7° | 7.7° |
| O3 | MN1 | O1 | SR1 | 91.9° | 89.7° |
| MN2 | O2 | MN3 | SR1 | 120.4° | 100.9° |
| MN2 | O2 | MN3 | O3 | 18.4° | 6.5° |
| MN2 | O2 | MN3 | O4 | 165.6° | 174.2° |
| MN2 | O2 | MN3 | O5 | 102.1° | 97.4° |
| MN2 | O2 | SR1 | O5 | 106.9° | 89.8° |
| O2 | MN3 | O3 | O4 | 76.8° | 52.9° |
| O2 | MN3 | O3 | O5 | 86.9° | 92.9° |
| O2 | MN3 | O4 | O5 | 85.7° | 92.9° |
| O2 | MN3 | O4 | MN4 | 105.6° | 101.2° |
| MN3 | O2 | SR1 | O5 | 19.2° | 2.9° |
| MN3 | O2 | SR1 | O1 | 112.6° | 88.7° |
| O2 | MN3 | O5 | MN4 | 120.4° | 98.9° |
| MN2 | O3 | MN3 | O4 | 91.1° | 59.4° |
| MN2 | O3 | MN3 | O5 | 101.2° | 99.4° |
| O3 | MN2 | O2 | SR1 | 104.5° | 93.7° |
| O3 | MN2 | O1 | SR1 | 88.8° | 93.5° |
| O3 | MN3 | O4 | O5 | 10.0° | 40.1° |
| O3 | MN3 | O4 | MN4 | 29.9° | 48.3° |
| O3 | MN3 | O2 | SR1 | 102.0° | 94.4° |
| O3 | MN3 | O5 | SR1 | 91.5° | 92.4° |
| O3 | MN3 | O5 | MN4 | 165.9° | 172.3° |
| O4 | MN3 | O2 | SR1 | 74.0° | 85.0° |
| O4 | MN3 | O5 | SR1 | 87.8° | 87.1° |
| O4 | MN3 | O5 | MN4 | 14.8° | 8.3° |
| MN3 | O5 | SR1 | MN4 | 68.8° | 91.9° |
| MN3 | O5 | SR1 | O1 | 71.7° | 71.5° |
| O4 | MN4 | O5 | SR1 | 73.7° | 93.4° |
| O2 | SR1 | O5 | O1 | 59.3° | 68.6° |
| O2 | SR1 | O5 | MN4 | 81.1° | 94.8° |
| O1 | SR1 | O5 | MN4 | 140.5° | 163.4° |
