| Material name | Magnesium boride | |||||
| Composition | MgB2 | |||||
| Chemical formula weight | 45.93 | |||||
| System | Hexagonal | |||||
| Temperature (ºC) | 24 | |||||
| a (Å), b (Å), c (Å) | 3.08489(3) | 3.08489(3) | 3.52107(5) | |||
| α (deg), β (deg), γ (deg) | 90 | 90 | 120 | |||
| Unit cell vollume (Å3) | 29.019(1) | |||||
| Calculated density (g/㎝3) | 2.63 | |||||
| Z | 1 | |||||
| Space group | P6/mmm (No.191) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| Mg | 1a | 1 | 0 | 0 | 0 | 0.43 |
| B | 2d | 1 | 1/3 | 2/3 | 1/2 | 0.41 |
| Comment | B values were calculated on the basis of Uij values in the reference. | |||||
Reference: J.D. Jorgensen, D.G. Hinks, and S. Short, Physical Review B, 63, 224522 (2001).