Magneto-structural coupling in $$Ni_xZn_{1-x}Cr_2O_4$$

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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

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

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