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Table 2 Structural parameters obtained by “RIETAN-2000” \(Ni_{0.8}Zn_{0.2}Cr_2O_4\) at 300, 80 K

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