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Table 1 Structural parameters obtained by “RIETAN-2000” of \(NiCr_2O_4\) at 300, 100 and 15 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 \(I4_1/amd\)
 a = b = \(5.83367\pm 0.0193\;\AA\), c = \(8.41297\pm 0.0278\;\AA\), Rwp = 20.13 %, Rp = 14.89 %, S = 2.3491
  Zn/Ni 4a 0.25 0.375 0.43 0.005
  Cr 8d 0 0 0.23 0.002
  O 16h 0.5108 0.2316 1.015 0.013
(b) 100 K Space group \(I4_1/amd\)
a = b = \(5.79207\pm 0.006\,\AA\), c = \(8.54065\pm 0.091\,\AA\), Rwp = 6.94 %, Rp = 4.79 %, S = 1.1836
  Zn/Ni 4a 0.25 0.375 0.478 0.006
  Cr 8d 0 0 0 0.003
  O 16h 0.5093 0.22415 1.727 0.023
(c) 15 K Space group Fddd
  a = \(8.17338\pm 0.009\,\AA\), b = \(8.18914\pm 0.009\,\AA\), c = \(8.56879 \pm 0.009\,\AA\), Rwp = 11.03 %, Rp = 8.29 %, S = 1.37
  Zn/Ni 4a 0.125 0.125 0.475 0.006
  Cr 8d 0.5 0.5 0.5 0.003
  O 16h 0.254 0.0274 0.862 0.011