Mg2V2O7 Gopal R, Calvo C Acta Crystallographica B30 (1974) 2491-2493 Crystal structure of magnesium divanadate, Mg2V2O7 Note: There is likely a minor typo in coordinates of O6 because bond lengths cannot be reproduced _database_code_amcsd 0009520 CELL PARAMETERS: 13.7670 5.4140 4.9120 81.420 106.820 130.330 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 266.795 Density (g/cm3): 3.267 MAX. ABS. INTENSITY / VOLUME**2: 8.448172182 RIR: 0.842 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.30 35.54 5.1259 -1 1 0 2 17.48 3.82 5.0729 2 0 0 2 18.68 3.70 4.7494 -1 0 1 2 18.90 21.40 4.6954 0 0 1 2 20.78 11.47 4.2744 -3 1 0 2 21.56 46.97 4.1216 0 1 0 2 22.81 24.29 3.8981 1 0 1 2 22.84 16.66 3.8938 -2 1 1 2 24.09 32.19 3.6944 -3 1 1 2 24.88 2.32 3.5789 -1 1 1 2 26.56 2.36 3.3565 1 -1 1 2 27.08 16.66 3.2931 -4 1 0 2 27.95 78.41 3.1924 2 -1 1 2 28.05 98.75 3.1810 0 -1 1 2 28.09 10.08 3.1766 1 1 0 2 28.22 100.00 3.1621 -4 1 1 2 28.30 14.99 3.1533 -3 0 1 2 29.03 39.60 3.0759 2 0 1 2 29.58 68.66 3.0204 0 1 1 2 33.50 2.57 2.6748 -3 2 0 2 34.29 7.19 2.6155 -5 1 1 2 34.35 17.27 2.6106 -4 2 0 2 34.64 11.74 2.5896 -5 1 0 2 35.01 1.06 2.5629 -2 2 0 2 35.39 15.48 2.5365 4 0 0 2 35.67 11.64 2.5171 -4 0 1 2 35.91 10.03 2.5006 -4 2 1 2 35.99 8.89 2.4954 1 1 1 2 36.35 5.79 2.4716 -3 2 1 2 37.03 1.92 2.4277 -1 0 2 2 37.42 7.77 2.4034 -5 2 0 2 37.69 1.56 2.3866 -5 2 1 2 37.89 2.71 2.3747 -2 0 2 2 38.46 8.16 2.3407 -3 1 2 2 38.64 7.18 2.3304 -1 2 0 2 38.83 1.05 2.3190 -2 1 2 2 40.80 6.46 2.2117 -3 0 2 2 41.20 7.11 2.1912 2 -2 1 2 41.25 1.15 2.1885 -1 1 2 2 41.56 24.62 2.1730 -6 1 1 2 42.29 3.76 2.1372 -6 2 0 2 42.95 5.88 2.1060 -6 1 0 2 43.34 3.58 2.0877 1 -2 1 2 43.35 2.90 2.0874 0 -1 2 2 43.35 12.31 2.0872 -1 2 1 2 43.41 3.71 2.0843 1 -1 2 2 43.50 7.50 2.0807 2 1 1 2 43.79 1.14 2.0674 -5 1 2 2 43.84 1.97 2.0649 -5 0 1 2 43.94 3.66 2.0608 0 2 0 2 45.37 6.22 1.9989 2 -1 2 2 45.44 7.09 1.9962 -4 0 2 2 45.45 5.84 1.9957 0 1 2 2 46.42 2.92 1.9560 5 -2 1 2 46.60 6.91 1.9491 2 0 2 2 46.65 9.19 1.9469 -4 2 2 2 46.78 15.62 1.9420 -7 2 1 2 47.23 9.03 1.9244 0 -2 1 2 48.00 8.18 1.8955 -3 2 2 2 48.95 2.69 1.8608 -6 1 2 2 49.33 2.70 1.8472 -6 2 2 2 50.50 2.97 1.8071 1 2 0 2 51.08 10.52 1.7880 1 1 2 2 51.26 1.57 1.7822 -5 3 0 2 51.44 2.03 1.7764 -5 0 2 2 51.53 6.45 1.7735 6 -2 1 2 51.94 3.55 1.7604 -5 3 1 2 52.56 7.24 1.7412 6 -1 1 2 52.58 1.88 1.7406 -1 -2 1 2 52.85 2.58 1.7322 3 0 2 2 52.86 7.09 1.7319 -4 -1 1 2 53.12 4.16 1.7242 4 1 0 2 53.16 5.85 1.7230 -7 2 2 2 53.22 1.19 1.7212 -4 3 1 2 53.77 1.03 1.7048 -3 -1 2 2 54.17 3.74 1.6933 4 -1 2 2 54.25 1.12 1.6910 6 0 0 2 54.37 1.82 1.6873 -7 3 1 2 54.69 27.97 1.6783 2 -2 2 2 55.36 10.60 1.6595 -7 1 2 2 55.57 1.13 1.6537 -1 2 2 2 55.84 7.07 1.6465 -8 2 0 2 56.08 7.18 1.6399 -3 3 1 2 56.18 3.93 1.6371 1 2 1 2 57.20 4.93 1.6106 -2 3 0 2 57.21 1.15 1.6102 -1 0 3 2 57.87 1.62 1.5933 7 -2 1 2 57.88 7.37 1.5933 2 1 2 2 57.93 1.43 1.5918 -8 3 1 2 58.07 2.41 1.5883 2 2 0 2 58.18 2.57 1.5857 5 -3 1 2 58.28 1.93 1.5831 -3 0 3 2 58.55 6.34 1.5766 -6 0 2 2 59.87 4.02 1.5448 -8 3 0 2 60.04 8.84 1.5410 -4 -1 2 2 60.05 2.72 1.5408 -5 3 2 2 60.17 2.51 1.5380 4 0 2 2 60.24 4.56 1.5362 6 -3 1 2 60.39 1.49 1.5329 -2 3 1 2 60.60 7.30 1.5280 -7 3 2 2 60.74 1.75 1.5248 4 1 1 2 60.75 2.99 1.5246 -1 1 3 2 60.92 4.11 1.5206 -9 2 1 2 61.21 2.34 1.5141 2 -3 1 2 61.23 1.51 1.5137 -8 1 0 2 62.12 4.16 1.4941 -1 3 0 2 62.29 4.41 1.4905 1 0 3 2 62.81 1.46 1.4795 -8 1 2 2 62.86 3.15 1.4785 -9 3 1 2 62.93 4.16 1.4769 -4 2 3 2 63.01 9.33 1.4752 6 0 1 2 63.52 3.00 1.4646 -6 2 3 2 64.04 2.72 1.4541 -9 2 0 2 64.12 1.31 1.4524 2 2 1 2 64.77 1.64 1.4394 -9 2 2 2 64.85 4.43 1.4378 -3 2 3 2 65.05 6.03 1.4339 -2 -1 3 2 65.16 2.46 1.4317 1 -3 1 2 65.32 2.66 1.4286 -5 0 3 2 65.46 4.18 1.4258 -3 3 2 2 65.51 5.93 1.4248 -9 3 0 2 65.55 7.69 1.4240 2 -1 3 2 66.01 6.04 1.4153 -7 2 3 2 66.63 2.85 1.4035 6 -2 2 2 67.05 2.87 1.3958 -2 -2 2 2 67.56 2.96 1.3866 -7 1 3 2 67.91 3.37 1.3802 6 -1 2 2 67.93 1.15 1.3799 -9 1 1 2 68.27 4.35 1.3739 0 3 0 2 68.33 2.85 1.3727 1 2 2 2 68.52 1.34 1.3694 -3 -1 3 2 68.58 1.87 1.3683 8 -3 1 2 70.38 1.45 1.3378 5 1 1 2 70.63 2.56 1.3336 8 -1 1 2 71.99 3.60 1.3117 -8 0 1 2 72.74 3.38 1.3000 6 1 0 2 72.80 1.77 1.2991 -1 2 3 2 72.80 3.30 1.2991 2 -2 3 2 72.88 1.43 1.2979 -6 3 3 2 73.30 1.46 1.2915 -4 -1 3 2 73.90 1.49 1.2824 6 -3 2 2 74.26 1.02 1.2771 4 -1 3 2 74.64 1.94 1.2716 9 -3 1 2 75.22 7.81 1.2632 -4 -2 1 2 75.53 1.35 1.2588 1 3 0 2 75.55 1.39 1.2585 -8 0 2 2 75.70 1.24 1.2564 -6 -1 2 2 77.47 1.28 1.2321 -7 0 3 2 77.56 2.36 1.2309 6 0 2 2 78.47 1.50 1.2188 -3 1 4 2 78.85 2.94 1.2139 -2 0 4 2 79.06 3.24 1.2112 -5 1 4 2 80.56 1.43 1.1924 1 3 1 2 83.25 1.68 1.1606 -1 1 4 2 84.38 2.69 1.1479 3 1 3 2 84.47 1.59 1.1469 -1 -1 4 2 84.99 1.26 1.1412 -7 1 4 2 87.84 2.15 1.1114 2 -3 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.