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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