Parameter | Product C and D | Product A and B |
---|---|---|
Name of compound | Magnetite | Magnetite |
JCPDS no. | 19-0629 | 28-0491 |
Crystal system | Cubic | Monoclinic |
Type | Face centered | Primitive |
Space group | Fd-3 m (227) | P12/m1 (10) |
Crystallite size (Å) | 282 | 282 |
Cell parameters | ||
a, b and c (Å) | 8.3851, 8.3851 and 8.3851 | 5.9444, 5.9247 and 8.3875 |
α, β and γ (°) | 90.0, 90.0 and 90.0 | 90.0, 90.237° and 90.0 |
Atom coordinates | ||
x, y and z of iron | 0.125, 0.125 and 0.125 | 0.750, 0.500 and 0.125 |
0.500, 0.500 and 0.500 | 0.000, 0.500 and 0.000 | |
0.250, 0.250 and 0.250 | ||
0.000, 0.000 and 0.500 | ||
0.500, 0.500 and 0.000 | ||
0.500, 0.000 and 0.500 | ||
0.750, 0.000 and 0.125 | ||
x, y and z of oxygen | 0.253, 0.253 and 0.253 | 0.250, 0.260 and 0.005 |
0.510, 0.500 and 0.755 | ||
0.250, 0.240 and 0.495 | ||
0.010, 0.000 and 0.255 | ||
0.510, 0.000 and 0.745 | ||
0.010, 0.500 and 0.245 | ||
No. of formula units per unit cells (Z) | 8.0 | 4.0 |
Density (g/cm3) | 5.21600 | 5.2060 |
Volume (Å3) | 591.9 | 225.6 |
Spacing (dhkl) (Å), 2-theta (°) and miller indices (hkl) | 4.84743, 18.286 and (111) | 5.43, 16.310 and (010) |
2.96843, 30.079 and (220) | 4.05653, 21.892 and (100) | |
2.53149, 35.429 and (311) | 2.88045, 31.021 and (101) | |
2.42372, 37.061 and (222) | 2.715, 32.963 and (020) | |
2.09900, 43.058 and (400) | 2.69153, 33.259 and (002) | |
1.9261, 47.144 and (331) | 2.59659, 34.513 and (\( \bar{1}0 2 \) ) | |
1.71383, 53.416 and (422) | 2.20488, 40.895 and (\( \bar{1}21 \)) | |
1.61581, 56.942 and (333) | 1.78442, 51.147 and (\( \bar{2}12 \)) | |
1.48422, 62.527 and (440) | 1.74586, 52.361 and (201) | |
1.41918, 65.743 and (531) | 1.65292, 55.551 and (130) | |
1.39933, 66.797 and (442) | 1.63239, 56.311 and (\( \bar{1}31 \)) | |
1.32752, 70.934 and (620) | 1.39209, 67.190 and (212) | |
1.28038, 73.969 and (533) | 1.3575, 69.141 and (040) | |
1.26574, 74.970 and (622) | 1.34287, 70.004 and (132) | |
1.30996, 72.033 and (123) | ||
1.28733, 73.504 and (140) | ||
1.27756, 74.160 and (\( \bar{1}41 \)) | ||
1.24264, 76.613 and (\( \bar{1}24 \)) | ||
1.23355, 77.282 and (301) | ||
1.21037, 79.047 and (320) |