OER
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | MN1 | sing | 2.06Å | 2.06Å | |
| O1 | MN2 | sing | 1.94Å | 1.94Å | |
| MN1 | O3 | sing | 1.93Å | 1.93Å | |
| O2 | MN2 | sing | 1.75Å | 1.75Å | |
| O2 | MN3 | sing | 1.72Å | 1.72Å | |
| MN2 | O3 | sing | 2.01Å | 2.01Å | |
| O3 | MN3 | sing | 2.01Å | 2.01Å | |
| MN3 | O4 | sing | 1.73Å | 1.73Å | |
| MN3 | O5 | sing | 2.48Å | 2.48Å | |
| O4 | MN4 | sing | 1.87Å | 1.87Å | |
| SR1 | O2 | sing | 2.64Å | 2.64Å | |
| SR1 | O5 | sing | 2.56Å | 2.56Å | |
| SR1 | O1 | sing | 2.42Å | 2.42Å | |
| MN4 | O5 | sing | 2.58Å | 2.58Å | |
| MN1 | O5 | sing | 2.64Å | 2.64Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| MN1 | O1 | MN2 | 89.0° | 89.0° |
| O1 | MN1 | O3 | 87.2° | 87.2° |
| MN1 | O1 | SR1 | 104.4° | 104.4° |
| O1 | MN1 | O5 | 86.2° | 86.2° |
| O1 | MN2 | O2 | 84.2° | 84.2° |
| O1 | MN2 | O3 | 88.4° | 88.4° |
| MN2 | O1 | SR1 | 108.3° | 108.3° |
| MN1 | O3 | MN2 | 90.6° | 90.6° |
| MN1 | O3 | MN3 | 115.6° | 115.6° |
| O3 | MN1 | O5 | 79.8° | 79.8° |
| MN2 | O2 | MN3 | 115.7° | 115.7° |
| O2 | MN2 | O3 | 72.7° | 72.7° |
| MN2 | O2 | SR1 | 105.9° | 105.9° |
| O2 | MN3 | O3 | 73.3° | 73.3° |
| O2 | MN3 | O4 | 105.8° | 105.8° |
| O2 | MN3 | O5 | 84.8° | 84.8° |
| MN3 | O2 | SR1 | 110.7° | 110.7° |
| MN2 | O3 | MN3 | 93.8° | 93.8° |
| O3 | MN3 | O4 | 176.1° | 176.1° |
| O3 | MN3 | O5 | 82.5° | 82.5° |
| O4 | MN3 | O5 | 93.7° | 93.7° |
| MN3 | O4 | MN4 | 105.1° | 105.1° |
| MN3 | O5 | SR1 | 92.1° | 92.1° |
| MN3 | O5 | MN4 | 68.8° | 68.8° |
| MN3 | O5 | MN1 | 81.3° | 81.3° |
| O4 | MN4 | O5 | 87.5° | 87.5° |
| O2 | SR1 | O5 | 67.5° | 67.5° |
| O2 | SR1 | O1 | 58.4° | 58.4° |
| O5 | SR1 | O1 | 81.2° | 81.2° |
| SR1 | O5 | MN4 | 102.5° | 102.5° |
| SR1 | O5 | MN1 | 86.1° | 86.1° |
| MN4 | O5 | MN1 | 149.0° | 149.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| MN1 | O1 | MN2 | SR1 | 104.9° | 104.9° |
| O1 | MN1 | O3 | O5 | 86.6° | 86.6° |
| MN1 | O1 | MN2 | O2 | 88.9° | 88.9° |
| MN1 | O1 | MN2 | O3 | 16.1° | 16.1° |
| O1 | MN1 | O3 | MN3 | 78.4° | 78.4° |
| O1 | MN1 | O5 | MN3 | 81.7° | 81.7° |
| MN1 | O1 | SR1 | O2 | 81.5° | 81.5° |
| MN1 | O1 | SR1 | O5 | 12.5° | 12.5° |
| O1 | MN1 | O5 | MN4 | 96.9° | 96.9° |
| O1 | MN2 | O2 | O3 | 90.1° | 90.1° |
| O1 | MN2 | O2 | MN3 | 108.6° | 108.6° |
| O1 | MN2 | O3 | MN3 | 98.6° | 98.6° |
| MN2 | O1 | SR1 | O2 | 12.3° | 12.3° |
| MN2 | O1 | SR1 | O5 | 81.3° | 81.3° |
| MN2 | O1 | MN1 | O5 | 96.7° | 96.7° |
| MN1 | O3 | MN2 | O2 | 101.6° | 101.6° |
| MN1 | O3 | MN3 | O2 | 78.1° | 78.1° |
| MN1 | O3 | MN2 | MN3 | 115.7° | 115.7° |
| MN1 | O3 | MN3 | O4 | 1.4° | 1.4° |
| O3 | MN1 | O5 | MN3 | 6.1° | 6.1° |
| O3 | MN1 | O5 | SR1 | 98.8° | 98.8° |
| O3 | MN1 | O1 | SR1 | 91.9° | 91.9° |
| O3 | MN1 | O5 | MN4 | 9.1° | 9.1° |
| MN2 | O2 | MN3 | SR1 | 120.4° | 120.4° |
| MN2 | O2 | MN3 | O3 | 18.4° | 18.4° |
| MN2 | O2 | MN3 | O4 | 165.6° | 165.6° |
| MN2 | O2 | MN3 | O5 | 102.1° | 102.1° |
| MN2 | O2 | SR1 | O5 | 106.9° | 106.9° |
| O2 | MN3 | O3 | O4 | 76.8° | 76.8° |
| O2 | MN3 | O3 | O5 | 86.9° | 86.9° |
| O2 | MN3 | O4 | O5 | 85.7° | 85.7° |
| O2 | MN3 | O4 | MN4 | 105.6° | 105.6° |
| MN3 | O2 | SR1 | O5 | 19.2° | 19.2° |
| MN3 | O2 | SR1 | O1 | 112.6° | 112.6° |
| O2 | MN3 | O5 | MN4 | 120.4° | 120.4° |
| O2 | MN3 | O5 | MN1 | 68.0° | 68.0° |
| MN2 | O3 | MN3 | O4 | 91.1° | 91.1° |
| MN2 | O3 | MN3 | O5 | 101.2° | 101.2° |
| O3 | MN2 | O2 | SR1 | 104.5° | 104.5° |
| O3 | MN2 | O1 | SR1 | 88.8° | 88.8° |
| MN2 | O3 | MN1 | O5 | 102.8° | 102.8° |
| O3 | MN3 | O4 | O5 | 10.0° | 10.0° |
| O3 | MN3 | O4 | MN4 | 29.9° | 29.9° |
| O3 | MN3 | O2 | SR1 | 102.0° | 102.0° |
| O3 | MN3 | O5 | SR1 | 91.5° | 91.5° |
| O3 | MN3 | O5 | MN4 | 165.9° | 165.9° |
| O4 | MN3 | O2 | SR1 | 74.0° | 74.0° |
| O4 | MN3 | O5 | SR1 | 87.8° | 87.8° |
| O4 | MN3 | O5 | MN4 | 14.8° | 14.8° |
| O4 | MN3 | O5 | MN1 | 173.5° | 173.5° |
| MN3 | O5 | SR1 | MN4 | 68.8° | 68.8° |
| MN3 | O5 | SR1 | MN1 | 81.1° | 81.1° |
| MN3 | O5 | SR1 | O1 | 71.7° | 71.7° |
| MN3 | O5 | MN4 | MN1 | 16.1° | 16.1° |
| O4 | MN4 | O5 | SR1 | 73.7° | 73.7° |
| O4 | MN4 | O5 | MN1 | 29.8° | 29.8° |
| O2 | SR1 | O5 | O1 | 59.3° | 59.3° |
| O2 | SR1 | O5 | MN4 | 81.1° | 81.1° |
| O2 | SR1 | O5 | MN1 | 68.7° | 68.7° |
| SR1 | O5 | MN4 | MN1 | 103.5° | 103.5° |
| O1 | SR1 | O5 | MN4 | 140.5° | 140.5° |
