Table 4 Structural parameters obtained by “RIETAN-2000” \(Ni_{0.8}Zn_{0.2}Cr_2O_4\) at 50, 30 and 15 K
From: Magneto-structural coupling in \(Ni_xZn_{1-x}Cr_2O_4\)
Atom | Site | x | y | z | \(B(\AA ^2)\) |
|---|---|---|---|---|---|
(a) 50 K Space group Fddd | |||||
a = \(8.23506\pm 0.023\, \AA\), b = \(8.24518\pm 0.023\, \AA\), c = \(8.48909\pm 0.023\, \AA\), Rwp = 17.51 %, Rp = 13.07 %, S = 2.0588 | |||||
Zn/Ni | 4a | 0.125 | 0.125 | 0.334 | 0.00424 |
Cr | 8d | 0.5 | 0.5 | 0.296 | 0.00375 |
O | 16h | 0.25123 | 0.27039 | 0.665 | 0.00842 |
(b) 30 K Space group Fddd | |||||
a = \(8.22436\pm 0.005\,\AA\), b = \(8.22444\pm 0.004\, \AA\), c = \(8.48298\pm 0.005\, \AA\), Rwp = 17.86 %, Rp = 13.37 %, S = 2.097 | |||||
Zn/Ni | 4a | 0.125 | 0.125 | 0.474 | 0.006 |
Cr | 8d | 0.5 | 0.5 | 0.348 | 0.00441 |
O | 16h | 0.26161 | 0.26706 | 0.835 | 0.01057 |
(c) 15 K Space group Fddd | |||||
a = \(8.22003\pm 0.005\, \AA\), b = \(8.22974\pm 0.005\, \AA\), c = \(8.48524\pm 0.005\, \AA\), Rwp = 16.53 %, Rp = 11.13 %, S = 2.1605 | |||||
Zn/Ni | 4a | 0.125 | 0.125 | 0.516 | 0.00654 |
Cr | 8d | 0.5 | 0.5 | 0.387 | 0.00449 |
O | 16h | 0.25157 | 0.026654 | 0.859 | 0.01088 |