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 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.