| Material name | Aragonite | |||||
| Composition | CaCO3 | |||||
| Chemical formula weight | 100.09 | |||||
| System | Orthorhombic | |||||
| Temperature (ºC) | r.t. | |||||
| a (Å), b (Å), c (Å) | 4.9616(2) | 7.9705(6) | 5.7394(4) | |||
| α (deg), β (deg), γ (deg) | 90 | 90 | 90 | |||
| Unit cell volume (Å3) | 227.0 | |||||
| Calculated density (g/㎝3) | 2.93 | |||||
| Z | 4 | |||||
| Space group | Pmcn (No.62) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| Ca | 4c | 1 | 1/4 | 0.4151(1) | 0.2403(1) | - |
| C | 4c | 1 | 1/4 | 0.7627(5) | 0.0850(7) | - |
| O1 | 4c | 1 | 1/4 | 0.9231(4) | 0.0952(6) | - |
| O2 | 8d | 1 | 0.4729(4) | 0.6801(3) | 0.0870(4) | - |
Reference: A.D. Negro and L. Ungaretti, American Mineralogist, 56, 768 (1971).