LI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | sing | 1.63Å | 1.50Å | |
| O2P | H2P | sing | 0.98Å | 0.95Å | |
| P | O1P | doub | 1.51Å | 1.53Å | |
| P | O3P | sing | 1.63Å | 1.61Å | |
| O3P | C1 | sing | 1.42Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.10Å | 1.11Å | |
| C2 | O2 | sing | 1.42Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.10Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.52Å | 1.35Å | |
| C3 | H31 | sing | 1.10Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | O30 | doub | 1.22Å | 1.34Å | |
| C4 | C30 | sing | 1.51Å | 1.34Å | |
| C30 | O5 | doub | 1.22Å | 1.33Å | |
| C30 | C31 | sing | 1.51Å | 1.34Å | |
| C31 | C32 | sing | 1.52Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.10Å | 1.11Å | |
| C32 | H323 | sing | 1.10Å | 1.12Å | |
| HP1 | P | sing | 1.41Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O2P | H2P | 116.1° | 118.6° |
| O2P | P | O1P | 116.1° | 111.7° |
| O2P | P | O3P | 110.5° | 100.8° |
| O2P | P | HP1 | 104.1° | 103.8° |
| O1P | P | O3P | 109.7° | 112.0° |
| O1P | P | HP1 | 104.9° | 122.3° |
| P | O3P | C1 | 117.5° | 118.2° |
| O3P | P | HP1 | 111.2° | 103.9° |
| O3P | C1 | C2 | 113.5° | 110.3° |
| O3P | C1 | H11 | 110.7° | 109.2° |
| O3P | C1 | H12 | 110.7° | 108.7° |
| C2 | C1 | H11 | 110.8° | 111.8° |
| C2 | C1 | H12 | 110.7° | 109.9° |
| C1 | C2 | O2 | 112.0° | 109.7° |
| C1 | C2 | C3 | 111.4° | 114.7° |
| C1 | C2 | H2 | 106.8° | 108.6° |
| H11 | C1 | H12 | 99.6° | 106.9° |
| O2 | C2 | C3 | 110.8° | 109.5° |
| O2 | C2 | H2 | 107.5° | 107.2° |
| C2 | O2 | HO2 | 111.9° | 106.7° |
| C3 | C2 | H2 | 108.1° | 106.9° |
| C2 | C3 | C4 | 120.1° | 114.7° |
| C2 | C3 | H31 | 108.4° | 108.8° |
| C2 | C3 | H32 | 108.4° | 109.1° |
| C4 | C3 | H31 | 108.4° | 106.8° |
| C4 | C3 | H32 | 108.4° | 108.5° |
| C3 | C4 | O30 | 118.7° | 125.4° |
| C3 | C4 | C30 | 121.3° | 117.8° |
| H31 | C3 | H32 | 101.6° | 108.8° |
| O30 | C4 | C30 | 119.9° | 116.8° |
| C4 | C30 | O5 | 120.7° | 117.2° |
| C4 | C30 | C31 | 120.8° | 117.8° |
| O5 | C30 | C31 | 118.5° | 125.0° |
| C30 | C31 | C32 | 121.5° | 111.9° |
| C30 | C31 | H311 | 107.9° | 108.9° |
| C30 | C31 | H312 | 107.9° | 108.6° |
| C32 | C31 | H311 | 107.9° | 109.2° |
| C32 | C31 | H312 | 107.9° | 108.9° |
| C31 | C32 | H321 | 107.9° | 110.4° |
| C31 | C32 | H322 | 121.5° | 111.1° |
| C31 | C32 | H323 | 107.9° | 111.1° |
| H311 | C31 | H312 | 101.9° | 109.2° |
| H321 | C32 | H322 | 107.9° | 108.1° |
| H321 | C32 | H323 | 101.9° | 108.2° |
| H322 | C32 | H323 | 108.0° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O1P | O3P | 126.2° | 112.2° |
| O2P | P | O1P | HP1 | 114.2° | 123.7° |
| O2P | P | O3P | HP1 | 115.0° | 107.3° |
| O2P | P | O3P | C1 | 152.9° | 47.3° |
| H2P | O2P | P | O1P | 180.0° | 1.9° |
| H2P | O2P | P | O3P | 54.2° | 117.2° |
| H2P | O2P | P | HP1 | 65.3° | 135.5° |
| O1P | P | O3P | HP1 | 115.6° | 133.9° |
| O1P | P | O3P | C1 | 23.5° | 166.1° |
| P | O3P | C1 | C2 | 109.0° | 150.0° |
| P | O3P | C1 | H11 | 16.2° | 26.8° |
| P | O3P | C1 | H12 | 125.7° | 89.4° |
| O3P | C1 | C2 | H11 | 125.3° | 121.7° |
| O3P | C1 | C2 | H12 | 125.2° | 119.8° |
| O3P | C1 | H11 | H12 | 116.6° | 117.4° |
| O3P | C1 | C2 | O2 | 50.6° | 62.0° |
| O3P | C1 | C2 | C3 | 74.1° | 61.7° |
| O3P | C1 | C2 | H2 | 168.1° | 178.8° |
| C1 | O3P | P | HP1 | 92.1° | 60.0° |
| C2 | C1 | H11 | H12 | 116.6° | 120.3° |
| C1 | C2 | O2 | C3 | 125.1° | 126.7° |
| C1 | C2 | O2 | H2 | 117.0° | 117.7° |
| C1 | C2 | C3 | H2 | 117.1° | 120.4° |
| C1 | C2 | O2 | HO2 | 180.0° | 51.3° |
| C1 | C2 | C3 | C4 | 100.9° | 179.6° |
| C1 | C2 | C3 | H31 | 133.9° | 60.1° |
| C1 | C2 | C3 | H32 | 24.4° | 58.5° |
| H11 | C1 | C2 | O2 | 175.9° | 176.3° |
| H11 | C1 | C2 | C3 | 51.2° | 60.0° |
| H11 | C1 | C2 | H2 | 66.7° | 59.5° |
| H12 | C1 | C2 | O2 | 74.6° | 57.8° |
| H12 | C1 | C2 | C3 | 160.7° | 178.5° |
| H12 | C1 | C2 | H2 | 42.8° | 59.0° |
| O2 | C2 | C3 | H2 | 117.5° | 115.8° |
| O2 | C2 | C3 | C4 | 133.7° | 55.8° |
| O2 | C2 | C3 | H31 | 8.5° | 63.7° |
| O2 | C2 | C3 | H32 | 101.0° | 177.7° |
| C3 | C2 | O2 | HO2 | 54.9° | 178.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.6° |
| C2 | C3 | C4 | H32 | 125.3° | 122.3° |
| C2 | C3 | H31 | H32 | 114.1° | 118.8° |
| C2 | C3 | C4 | O30 | 0.6° | 1.9° |
| C2 | C3 | C4 | C30 | 179.9° | 179.4° |
| H2 | C2 | O2 | HO2 | 63.0° | 66.4° |
| H2 | C2 | C3 | C4 | 16.2° | 60.0° |
| H2 | C2 | C3 | H31 | 109.1° | 179.5° |
| H2 | C2 | C3 | H32 | 141.5° | 61.9° |
| C4 | C3 | H31 | H32 | 114.0° | 116.9° |
| C3 | C4 | O30 | C30 | 179.5° | 178.8° |
| C3 | C4 | C30 | O5 | 0.4° | 178.8° |
| C3 | C4 | C30 | C31 | 179.2° | 0.9° |
| H31 | C3 | C4 | O30 | 124.6° | 118.8° |
| H31 | C3 | C4 | C30 | 54.8° | 60.0° |
| H32 | C3 | C4 | O30 | 125.9° | 124.1° |
| H32 | C3 | C4 | C30 | 54.7° | 57.1° |
| O30 | C4 | C30 | O5 | 179.9° | 0.0° |
| O30 | C4 | C30 | C31 | 0.3° | 179.7° |
| C4 | C30 | O5 | C31 | 179.6° | 179.7° |
| C4 | C30 | C31 | C32 | 179.9° | 179.1° |
| C4 | C30 | C31 | H311 | 54.8° | 60.0° |
| C4 | C30 | C31 | H312 | 54.7° | 58.8° |
| O5 | C30 | C31 | C32 | 0.3° | 0.5° |
| O5 | C30 | C31 | H311 | 125.6° | 120.3° |
| O5 | C30 | C31 | H312 | 124.9° | 120.8° |
| C30 | C31 | C32 | H311 | 125.3° | 120.7° |
| C30 | C31 | C32 | H312 | 125.3° | 120.1° |
| C30 | C31 | H311 | H312 | 113.5° | 118.4° |
| C30 | C31 | C32 | H321 | 54.7° | 179.2° |
| C30 | C31 | C32 | H322 | 180.0° | 60.9° |
| C30 | C31 | C32 | H323 | 54.7° | 59.1° |
| C32 | C31 | H311 | H312 | 113.5° | 119.0° |
| C31 | C32 | H321 | H322 | 133.0° | 121.7° |
| C31 | C32 | H321 | H323 | 113.5° | 121.8° |
| C31 | C32 | H322 | H323 | 125.3° | 121.9° |
| H311 | C31 | C32 | H321 | 180.0° | 60.1° |
| H311 | C31 | C32 | H322 | 54.7° | 59.9° |
| H311 | C31 | C32 | H323 | 70.6° | 179.8° |
| H312 | C31 | C32 | H321 | 70.6° | 59.1° |
| H312 | C31 | C32 | H322 | 54.7° | 179.0° |
| H312 | C31 | C32 | H323 | 180.0° | 61.0° |
| H321 | C32 | H322 | H323 | 109.4° | 116.8° |
