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

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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

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

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