From: Magneto-structural coupling in \(Ni_xZn_{1-x}Cr_2O_4\)
Atom | Site | x | y | z | \(B(\AA ^2)\) |
---|---|---|---|---|---|
(a) 300 K Space group \(Fd\bar{3}m\) | |||||
a = b = c = \(8.31642\pm 0.001\,\AA\), Rwp = 10.61 %, Rp = 6.59 %, S = 1.2468 | |||||
Zn/Ni | 4a | 0.125 | 0.125 | 0.125 | − |
Cr | 8d | 0.5 | 0.5 | 0.5 | − |
O | 16h | 0.2602 | 0.2602 | 0.2602 | − |
(b) 80 K Space group Fddd | |||||
a = \(8.23861\pm 0.026\,\AA\), b = \(8.25025\pm 0.026\,\AA\), c = \(8.47176\pm 0.026\,\AA\), Rwp = 18.82 %, Rp = 14 %, S = 2.213 | |||||
Zn/Ni | 8a | 0.125 | 0.125 | 0.461 | 0.00584 |
Cr | 8d | 0.5 | 0.5 | 0.5 | 0.00499 |
O | 32h | 0.24958 | 0.27 | 0.872 | 0.01105 |