Nd1.8 Ni O3.72 Sr0.2
Medarde M, Rodriguez-Carvajal J, Vallet-Regi M, Gonzalez-Calbet J, Alonso J
Physical Review B - Condensed Matter 49 (1994) 8591-8599
Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4-
type nickelate with monoclinic symmetry and ordered oxygen vacancies
_cod_database_code 1006140
_database_code_amcsd 0015288
CELL PARAMETERS: 5.3578 5.4394 12.2500 90.000 90.000 90.788
SPACE GROUP: B2/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 356.971
Density (g/cm3): 7.350
MAX. ABS. INTENSITY / VOLUME**2: 95.71123860
RIR: 4.240
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.46 5.40 6.1250 0 0 2 2
21.85 1.33 4.0669 0 1 2 4
24.27 28.58 3.6670 1 -1 1 4
24.58 24.17 3.6213 1 1 1 4
29.16 26.96 3.0625 0 0 4 2
31.98 97.56 2.7986 1 -1 3 4
32.22 100.00 2.7781 1 1 3 4
32.94 72.75 2.7194 0 2 0 2
33.45 73.23 2.6786 2 0 0 2
43.82 20.04 2.0659 1 -1 5 4
44.01 20.87 2.0576 1 1 5 4
44.37 15.32 2.0417 0 0 6 2
44.56 25.43 2.0335 0 2 4 4
44.96 25.30 2.0162 2 0 4 4
47.30 31.78 1.9216 -2 2 0 2
48.00 30.21 1.8954 2 2 0 2
52.65 1.17 1.7384 0 3 2 4
53.67 2.63 1.7077 -1 3 1 4
54.15 2.83 1.6937 1 3 1 4
54.37 2.35 1.6874 3 -1 1 4
54.84 2.53 1.6739 3 1 1 4
56.35 8.10 1.6327 0 2 6 4
56.54 6.75 1.6277 2 -2 4 4
56.69 8.46 1.6238 2 0 6 4
57.15 6.49 1.6117 2 2 4 4
57.90 8.20 1.5927 1 -1 7 4
58.05 7.76 1.5889 1 1 7 4
58.06 16.70 1.5886 -1 3 3 4
58.51 15.69 1.5774 1 3 3 4
58.72 15.08 1.5723 3 -1 3 4
59.17 14.16 1.5614 3 1 3 4
60.46 7.20 1.5312 0 0 8 2
66.28 4.36 1.4102 -1 3 5 4
66.70 4.06 1.4023 1 3 5 4
66.86 6.49 1.3993 2 -2 6 4
66.89 4.65 1.3987 3 -1 5 4
67.31 4.34 1.3910 3 1 5 4
67.42 6.29 1.3891 2 2 6 4
69.08 7.22 1.3597 0 4 0 2
70.28 7.76 1.3393 4 0 0 2
70.59 6.40 1.3343 0 2 8 4
70.89 6.11 1.3294 2 0 8 4
76.68 2.11 1.2427 0 4 4 4
77.75 2.64 1.2283 -1 3 7 4
77.84 2.24 1.2271 4 0 4 4
78.14 2.70 1.2231 1 3 7 4
78.20 5.64 1.2223 3 -3 3 4
78.33 2.64 1.2207 3 -1 7 4
78.44 3.58 1.2192 -2 4 0 2
78.72 2.70 1.2156 3 1 7 4
79.30 3.85 1.2081 -4 2 0 2
79.38 5.53 1.2071 3 3 3 4
79.49 3.43 1.2058 2 4 0 2
80.14 5.44 1.1975 2 -2 8 4
80.35 3.69 1.1950 4 2 0 2
80.67 5.33 1.1911 2 2 8 4
85.54 1.73 1.1352 3 -3 5 4
85.77 2.25 1.1328 -2 4 4 4
85.87 2.37 1.1317 0 4 6 4
86.62 2.34 1.1238 4 -2 4 4
86.70 1.73 1.1230 3 3 5 4
86.81 2.17 1.1220 2 4 4 4
87.01 2.71 1.1199 4 0 6 4
87.65 2.26 1.1133 4 2 4 4
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.