| Material name | Zirconium oxide (Zirconia) | |||||
| Composition | ZrO2 | |||||
| Chemical formula weight | 123.22 | |||||
| System | Monoclinic | |||||
| Temperature (ºC) | 25 | |||||
| a (Å), b (Å), c (Å) | 5.1501(2) | 5.2077(2) | 5.3171(2) | |||
| α (deg), β (deg), γ (deg) | 90 | 99.224(2) | 90 | |||
| Unit cell volume (Å3) | 140.76(4) | |||||
| Calculated density (g/㎝3) | 5.81 | |||||
| Z | 4 | |||||
| Space group | P21/c (No.14) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| Zr | 4e | 1 | 0.2746(3) | 0.0407(3) | 0.2078(2) | 0.313 |
| O1 | 4e | 1 | 0.0705(3) | 0.3327(3) | 0.3447(3) | 0.328 |
| O2 | 4e | 1 | 0.4499(3) | 0.7588(3) | 0.4793(3) | 0.151 |
Reference: M. Yashima, T. Hirose, S. Katano, Y. Suzuki, M. Kakihana, and M. Yoshimura, Physical Review B - Condensed Matter and Materials Physics, 51, 8018 (1995).