Shcherbinaite
Shklover V, Haibach T, Ried F, Nesper R, Novak P
Journal of Solid State Chemistry 123 (1996) 317-323
Crystal structure of the product of Mg2+ insertion into V2O5 single crystals
Locality: synthetic
Sample: I
_database_code_amcsd 0013889
CELL PARAMETERS: 11.5440 4.3830 3.5740 90.000 90.000 90.000
SPACE GROUP: Pmn2_1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 180.835
Density (g/cm3): 3.344
MAX. ABS. INTENSITY / VOLUME**2: 21.64986198
RIR: 2.108
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.35 40.20 5.7720 2 0 0 2
20.26 100.00 4.3830 0 1 0 2
21.69 31.47 4.0976 1 1 0 4
25.52 4.38 3.4907 2 1 0 4
26.10 75.56 3.4141 1 0 1 2
30.92 30.49 2.8917 3 1 0 4
30.99 34.14 2.8860 4 0 0 2
32.32 27.85 2.7699 0 1 1 2
33.26 9.79 2.6934 1 1 1 4
34.24 29.48 2.6187 3 0 1 2
35.96 3.28 2.4972 2 1 1 4
37.31 2.91 2.4104 4 1 0 4
41.19 13.35 2.1915 0 2 0 2
41.96 7.07 2.1530 1 2 0 4
45.38 13.21 1.9984 4 1 1 4
47.24 17.42 1.9240 6 0 0 2
47.76 11.97 1.9043 3 2 0 4
48.74 11.15 1.8682 0 2 1 2
49.42 2.92 1.8443 1 2 1 4
51.11 19.91 1.7870 0 0 2 1
51.41 1.64 1.7775 2 2 1 4
51.90 8.26 1.7617 6 1 0 4
52.43 1.13 1.7453 4 2 0 4
53.69 1.84 1.7071 2 0 2 2
55.53 8.68 1.6548 0 1 2 2
56.15 3.14 1.6380 1 1 2 4
58.40 4.38 1.5802 6 1 1 4
58.89 8.22 1.5683 4 2 1 4
59.93 3.17 1.5435 7 1 0 4
60.95 5.89 1.5202 3 1 2 4
60.98 6.38 1.5193 4 0 2 2
61.97 12.41 1.4974 7 0 1 2
64.26 2.23 1.4494 1 3 0 4
64.44 2.73 1.4459 6 2 0 4
64.96 1.33 1.4355 4 1 2 4
65.92 4.65 1.4170 7 1 1 4
67.65 3.23 1.3849 0 2 2 2
68.20 2.52 1.3751 1 2 2 4
68.72 4.45 1.3659 3 3 0 4
69.51 4.25 1.3524 0 3 1 2
70.05 1.06 1.3432 1 3 1 4
70.22 3.65 1.3403 6 2 1 4
71.61 2.70 1.3177 7 2 0 4
72.14 6.12 1.3094 6 0 2 2
72.52 1.35 1.3035 4 3 0 4
72.54 5.19 1.3031 3 2 2 4
74.35 5.98 1.2759 3 3 1 4
75.83 3.71 1.2546 6 1 2 4
77.15 1.80 1.2364 7 2 1 4
78.03 3.97 1.2246 4 3 1 4
81.17 1.32 1.1850 1 0 3 2
82.60 1.87 1.1681 7 1 2 4
83.80 1.08 1.1544 10 0 0 2
85.28 1.29 1.1380 3 0 3 2
86.45 1.46 1.1257 1 3 2 4
86.61 1.54 1.1240 6 2 2 4
88.34 2.12 1.1064 6 3 1 4
89.65 1.67 1.0936 7 3 0 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.