Mg2V2O7 Nielsen U G, Jakobsen H J, Skibsted J, Norby P Dalton Transactions 2001 (2001) 3214-3218 Crystal structure of alpha-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy Note: z-coordinate of V1 changed as directed by the author, Aug 2005. _database_code_amcsd 0012429 CELL PARAMETERS: 6.5990 8.4060 9.4720 90.000 100.608 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 516.443 Density (g/cm3): 3.375 MAX. ABS. INTENSITY / VOLUME**2: 7.213396028 RIR: 0.696 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.65 3.69 6.4862 1 0 0 2 14.20 5.61 6.2392 0 1 1 4 18.48 48.42 4.8023 -1 1 1 4 19.07 9.04 4.6551 0 0 2 2 20.94 11.23 4.2426 1 1 1 4 21.35 16.23 4.1622 -1 0 2 2 21.82 18.20 4.0723 0 1 2 4 23.22 9.28 3.8307 0 2 1 4 23.86 49.25 3.7300 -1 1 2 4 25.25 62.88 3.5272 1 2 0 4 25.52 1.86 3.4898 1 0 2 2 26.10 1.14 3.4136 -1 2 1 4 27.50 50.33 3.2431 2 0 0 2 27.68 19.95 3.2231 1 1 2 4 27.93 2.13 3.1942 1 2 1 4 28.61 100.00 3.1196 0 2 2 4 29.43 45.09 3.0349 -2 1 1 4 29.52 60.35 3.0257 2 1 0 4 30.22 14.59 2.9575 -1 2 2 4 30.56 11.57 2.9256 -2 0 2 2 30.71 89.46 2.9113 0 1 3 4 32.40 30.12 2.7630 -2 1 2 4 32.65 3.06 2.7424 2 1 1 4 33.37 25.72 2.6849 1 2 2 4 33.40 10.76 2.6831 0 3 1 4 34.88 54.75 2.5722 1 3 0 4 34.95 2.22 2.5676 2 2 0 4 35.52 5.09 2.5272 -1 3 1 4 35.93 5.82 2.4996 1 1 3 4 35.97 2.48 2.4966 0 2 3 4 36.57 14.97 2.4573 2 0 2 2 36.60 12.31 2.4550 -1 2 3 4 36.93 18.88 2.4342 1 3 1 4 37.45 1.42 2.4011 -2 2 2 4 37.67 21.52 2.3876 2 2 1 4 37.79 22.16 2.3804 -2 1 3 4 38.16 14.57 2.3586 2 1 2 4 38.62 3.79 2.3314 -1 0 4 2 38.69 4.77 2.3275 0 0 4 2 38.74 9.26 2.3244 -1 3 2 4 40.14 4.72 2.2466 -1 1 4 4 40.20 30.52 2.2431 0 1 4 4 42.53 8.26 2.1256 -3 1 1 4 42.58 2.90 2.1234 -2 3 1 4 42.62 4.26 2.1213 2 2 2 4 42.64 1.56 2.1203 2 3 0 4 42.75 3.24 2.1153 -3 0 2 2 43.04 5.56 2.1015 0 4 0 2 43.21 4.79 2.0939 3 1 0 4 43.67 4.67 2.0728 1 0 4 2 44.44 7.26 2.0388 -1 2 4 4 44.50 2.51 2.0362 0 2 4 4 44.79 4.23 2.0236 -2 3 2 4 45.31 3.44 2.0014 2 1 3 4 46.65 8.80 1.9471 -3 2 1 4 47.28 15.48 1.9226 3 2 0 4 47.53 2.97 1.9130 1 3 3 4 48.53 19.26 1.8759 -1 4 2 4 48.83 17.89 1.8650 -2 2 4 4 49.03 1.84 1.8579 -2 3 3 4 49.33 4.03 1.8475 2 3 2 4 50.18 3.28 1.8180 0 1 5 4 50.71 3.90 1.8003 1 4 2 4 50.96 7.23 1.7922 -1 3 4 4 51.67 2.52 1.7692 -3 2 3 4 52.96 1.30 1.7289 -3 3 1 4 53.06 3.33 1.7258 -1 4 3 4 53.65 5.85 1.7085 2 1 4 4 53.85 1.19 1.7024 0 2 5 4 53.87 1.09 1.7019 2 4 1 4 54.54 1.57 1.6825 3 2 2 4 54.96 2.00 1.6707 -2 3 4 4 56.02 4.29 1.6415 3 3 1 4 56.12 3.14 1.6388 1 4 3 4 56.55 1.63 1.6274 1 5 0 4 56.68 1.04 1.6241 -2 2 5 4 56.77 3.68 1.6216 4 0 0 2 56.88 10.95 1.6188 -4 1 1 4 56.91 5.27 1.6181 -3 2 4 4 56.99 1.12 1.6158 -1 5 1 4 57.16 3.45 1.6115 2 2 4 4 57.30 1.49 1.6079 3 1 3 4 57.58 2.85 1.6008 -3 3 3 4 57.71 6.00 1.5975 -4 1 2 4 57.72 1.49 1.5971 2 4 2 4 57.92 1.54 1.5922 4 1 0 4 57.98 11.72 1.5907 1 5 1 4 58.31 5.04 1.5825 1 2 5 4 58.36 1.34 1.5812 0 5 2 4 59.09 3.69 1.5635 -1 3 5 4 59.19 5.01 1.5610 -1 4 4 4 59.24 1.01 1.5598 0 4 4 4 59.28 4.88 1.5588 -1 5 2 4 59.58 4.98 1.5517 0 0 6 2 59.62 3.89 1.5508 0 3 5 4 60.26 9.01 1.5357 3 3 2 4 60.69 3.47 1.5259 0 1 6 4 60.76 3.79 1.5243 4 1 1 4 61.01 2.38 1.5186 -3 4 1 4 61.07 4.22 1.5174 -4 2 2 4 61.19 2.51 1.5146 1 5 2 4 61.27 3.02 1.5129 4 2 0 4 61.30 24.53 1.5123 -2 0 6 2 62.20 2.37 1.4926 2 5 0 4 62.27 2.33 1.4909 -2 3 5 4 62.28 42.16 1.4908 -3 4 2 4 62.94 3.94 1.4766 2 1 5 4 62.98 2.13 1.4758 -1 2 6 4 62.99 43.76 1.4757 1 4 4 4 63.61 2.22 1.4628 -4 0 4 2 64.21 19.08 1.4506 4 0 2 2 64.68 1.36 1.4411 -4 1 4 4 65.01 1.13 1.4347 3 1 4 4 65.27 1.41 1.4296 -3 4 3 4 66.07 3.32 1.4142 3 3 3 4 67.50 1.31 1.3875 2 5 2 4 67.62 1.43 1.3854 0 6 1 4 67.78 3.18 1.3826 3 4 2 4 68.27 4.84 1.3738 -1 3 6 4 68.45 4.45 1.3706 1 2 6 4 68.85 4.02 1.3636 -1 5 4 4 68.89 2.92 1.3630 -3 3 5 4 68.89 1.87 1.3629 -4 3 3 4 69.28 1.06 1.3563 4 3 1 4 69.81 1.09 1.3473 1 6 1 4 69.87 2.95 1.3462 -3 4 4 4 70.15 1.86 1.3416 0 6 2 4 70.51 1.55 1.3356 -1 1 7 4 70.54 1.45 1.3351 -3 5 1 4 71.12 1.57 1.3256 1 4 5 4 71.29 2.32 1.3228 4 1 3 4 71.63 2.18 1.3175 -3 2 6 4 72.24 3.02 1.3078 -2 5 4 4 72.73 2.59 1.3001 1 6 2 4 72.92 1.15 1.2972 5 0 0 2 72.96 1.22 1.2967 -4 3 4 4 73.16 3.69 1.2936 3 5 1 4 73.26 1.00 1.2920 3 3 4 4 73.93 1.58 1.2821 5 1 0 4 75.19 1.16 1.2636 -2 6 2 4 75.84 1.10 1.2544 -1 5 5 4 76.17 1.35 1.2498 2 2 6 4 76.64 5.33 1.2433 -3 3 6 4 77.80 2.18 1.2277 -4 1 6 4 78.89 1.74 1.2134 -3 5 4 4 79.90 1.22 1.2006 -4 4 4 4 79.92 1.09 1.2003 0 6 4 4 80.20 3.13 1.1968 3 4 4 4 81.65 3.87 1.1793 4 2 4 4 81.94 3.14 1.1757 3 6 0 4 82.23 1.40 1.1724 -1 1 8 4 82.67 2.04 1.1672 -5 3 3 4 83.42 1.07 1.1586 2 6 3 4 83.94 1.67 1.1528 0 1 8 4 84.31 1.74 1.1486 5 2 2 4 84.39 1.04 1.1477 1 3 7 4 84.78 3.44 1.1436 -3 5 5 4 86.11 1.89 1.1292 -5 3 4 4 86.44 1.27 1.1258 -4 1 7 4 86.67 2.21 1.1233 -2 2 8 4 87.89 3.14 1.1109 -2 7 2 4 88.92 2.08 1.1006 3 5 4 4 89.14 1.54 1.0985 5 3 2 4 89.56 1.13 1.0945 -3 6 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.