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Table 3 Structural parameters obtained by “RIETAN-2000” \(Ni_{0.8}Zn_{0.2}Cr_2O_4\) at 70, 60 K

From: Magneto-structural coupling in \(Ni_xZn_{1-x}Cr_2O_4\)

Atom Site x y z \(B(\AA ^2)\)
(a) 70 K Space group Fddd
 a = \(8.23635\pm 0.022\,\AA\), b = \(8.24477\pm 0.022\,\AA\), c = \(8.4778\pm 0.022\,\AA\), Rwp = 17.93 %, Rp = 13.27 %, S = 2.107
  Zn/Ni 4a 0.125 0.125 0.414 0.00524
  Cr 8d 0.5 0.5 0.356 0.00451
  O 16h 0.25035 0.26948 0.769 0.00973
(b) 60 K Space group Fddd
 a = \(8.23635\pm 0.022\,\AA\), b = \(8.24477\pm 0.022\,\AA\), c = \(8.48328\pm 0.023\,\AA\), Rwp = 17.86 %, Rp = 13.37 %, S = 2.097
  Zn/Ni 8a 0.125 0.125 0.361 0.00457
  Cr 8d 0.5 0.5 0.332 0.00421
  O 32h 0.25035 0.26948 0.727 0.0092