| Parameters | Simulations | ||
| Present Study | Other(s) | Experimental | |
| a = b = c (Å) Bond Length (Zr-O), Å Volume (Å3) Density (g/cm3) | 3.55381 2.1763 31.8808 6.41791 | 3.58031 [4] 2.19537 [2] 32.5850 [3] 6.081 [18] | 3.6012 [17] 2.205 [5] 32.723 [17] 6.151 [18] |