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

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Table 1 Structural parameters obtained by “RIETAN-2000” of $NiCr_2O_4$ at 300, 100 and 15 K

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

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