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: IIa
_database_code_amcsd 0013890
CELL PARAMETERS: 11.5440 4.3830 3.5710 90.000 90.000 90.000
SPACE GROUP: Pmn2_1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 180.683
Density (g/cm3): 3.343
MAX. ABS. INTENSITY / VOLUME**2: 21.81625269
RIR: 2.125
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.35 40.66 5.7720 2 0 0 2
20.26 100.00 4.3830 0 1 0 2
21.69 32.01 4.0976 1 1 0 4
25.52 4.41 3.4907 2 1 0 4
26.12 76.84 3.4115 1 0 1 2
30.92 30.51 2.8917 3 1 0 4
30.99 35.38 2.8860 4 0 0 2
32.34 29.26 2.7685 0 1 1 2
33.28 9.88 2.6921 1 1 1 4
34.26 29.97 2.6175 3 0 1 2
35.98 3.49 2.4962 2 1 1 4
37.31 2.77 2.4104 4 1 0 4
41.19 13.85 2.1915 0 2 0 2
41.96 7.50 2.1530 1 2 0 4
45.40 14.07 1.9979 4 1 1 4
47.24 18.53 1.9240 6 0 0 2
47.76 12.63 1.9043 3 2 0 4
48.75 12.70 1.8678 0 2 1 2
49.43 3.03 1.8438 1 2 1 4
51.16 21.15 1.7855 0 0 2 1
51.42 1.82 1.7771 2 2 1 4
51.90 8.87 1.7617 6 1 0 4
52.43 1.21 1.7453 4 2 0 4
53.74 2.02 1.7058 2 0 2 2
55.58 9.75 1.6536 0 1 2 2
56.20 3.44 1.6369 1 1 2 4
58.41 4.94 1.5799 6 1 1 4
58.90 9.14 1.5681 4 2 1 4
59.93 3.59 1.5435 7 1 0 4
60.99 6.37 1.5192 3 1 2 4
61.02 7.05 1.5184 4 0 2 2
61.98 13.99 1.4972 7 0 1 2
64.26 2.45 1.4494 1 3 0 4
64.44 3.02 1.4459 6 2 0 4
65.00 1.58 1.4347 4 1 2 4
65.93 5.11 1.4168 7 1 1 4
67.69 3.58 1.3842 0 2 2 2
68.24 2.92 1.3744 1 2 2 4
68.72 4.75 1.3659 3 3 0 4
69.52 4.89 1.3522 0 3 1 2
70.06 1.37 1.3430 1 3 1 4
70.23 4.43 1.3402 6 2 1 4
71.61 3.16 1.3177 7 2 0 4
72.18 6.99 1.3088 6 0 2 2
72.52 1.70 1.3035 4 3 0 4
72.58 6.00 1.3025 3 2 2 4
74.36 7.43 1.2757 3 3 1 4
75.87 4.43 1.2541 6 1 2 4
77.16 2.11 1.2362 7 2 1 4
78.04 4.56 1.2245 4 3 1 4
81.25 1.52 1.1841 1 0 3 2
82.63 2.28 1.1677 7 1 2 4
83.80 1.32 1.1544 10 0 0 2
84.31 1.12 1.1487 0 1 3 2
85.36 1.47 1.1372 3 0 3 2
86.48 1.72 1.1253 1 3 2 4
86.64 1.83 1.1236 6 2 2 4
88.35 2.62 1.1063 6 3 1 4
89.65 2.05 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.