Ba Co O7 P2 Riou D, Labbe P, Goreaud M Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 903-907 Les pyrophosphates A(II)x M P2 O7: Synthese et etude structurale de Ba Co P2 O7 et Ba Ni P2 O7 _cod_database_code 1001375 _database_code_amcsd 0012302 CELL PARAMETERS: 5.3230 7.5799 7.1174 101.217 84.191 89.319 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 280.093 Density (g/cm3): 4.389 MAX. ABS. INTENSITY / VOLUME**2: 17.56604782 RIR: 1.303 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.91 14.67 7.4312 0 1 0 2 12.75 3.98 6.9424 0 0 1 2 15.66 11.60 5.6588 0 -1 1 2 16.75 5.39 5.2929 1 0 0 2 19.14 9.89 4.6382 0 1 1 2 19.99 42.42 4.4412 1 0 1 2 20.28 1.31 4.3786 1 1 0 2 20.92 9.70 4.2467 -1 1 0 2 22.17 13.47 4.0100 -1 0 1 2 22.28 10.49 3.9896 1 -1 1 2 23.71 39.73 3.7523 -1 -1 1 2 23.95 14.93 3.7156 0 2 0 2 24.34 30.83 3.6566 1 1 1 2 24.86 17.45 3.5823 0 -2 1 2 25.66 95.88 3.4712 0 0 2 2 26.68 40.47 3.3413 -1 1 1 2 28.91 67.37 3.0884 1 2 0 2 29.24 7.31 3.0543 1 0 2 2 29.41 2.59 3.0368 0 2 1 2 29.79 11.37 2.9992 1 -2 1 2 29.82 100.00 2.9958 -1 2 0 2 29.86 82.99 2.9921 1 -1 2 2 30.46 45.29 2.9351 -1 -2 1 2 30.49 49.69 2.9316 0 1 2 2 31.62 17.30 2.8294 0 -2 2 2 32.30 6.57 2.7716 -1 0 2 2 32.45 36.31 2.7588 -1 -1 2 2 32.92 26.08 2.7207 1 2 1 2 33.40 3.50 2.6830 1 1 2 2 33.87 67.16 2.6464 2 0 0 2 34.99 21.58 2.5646 2 0 1 2 35.03 19.39 2.5615 1 -2 2 2 35.64 1.86 2.5190 2 1 0 2 36.02 32.44 2.4935 0 -3 1 2 36.27 1.60 2.4771 0 3 0 2 36.40 4.84 2.4680 -2 1 0 2 36.52 1.31 2.4604 -1 1 2 2 36.59 6.33 2.4558 2 -1 1 2 36.93 6.75 2.4339 -1 -2 2 2 37.57 5.09 2.3940 2 1 1 2 37.63 1.34 2.3903 -2 0 1 2 38.40 28.05 2.3443 0 -1 3 2 38.83 6.15 2.3191 0 2 2 2 39.67 1.33 2.2719 1 3 0 2 40.63 9.07 2.2206 2 0 2 2 40.71 3.96 2.2162 -1 3 0 2 40.88 5.16 2.2076 1 0 3 2 41.03 11.76 2.2000 0 3 1 2 41.05 11.71 2.1987 1 2 2 2 41.24 24.71 2.1893 2 2 0 2 41.27 1.46 2.1877 2 -1 2 2 41.73 6.85 2.1647 0 -2 3 2 41.97 23.33 2.1527 2 -2 1 2 43.56 14.55 2.0778 1 3 1 2 43.68 8.07 2.0723 2 1 2 2 43.71 9.25 2.0710 2 2 1 2 43.72 9.56 2.0706 -1 -1 3 2 43.91 1.88 2.0622 1 -2 3 2 44.03 16.39 2.0567 -1 2 2 2 44.62 1.37 2.0309 -1 -3 2 2 44.82 14.77 2.0222 1 1 3 2 45.18 6.96 2.0068 -2 -1 2 2 45.23 15.07 2.0050 -2 0 2 2 45.47 3.35 1.9948 2 -2 2 2 45.63 9.72 1.9882 -1 3 1 2 46.58 5.14 1.9498 -1 -2 3 2 47.16 6.88 1.9270 -2 2 1 2 48.15 14.53 1.8899 0 -4 1 2 48.25 20.48 1.8863 0 -3 3 2 48.36 17.05 1.8821 -1 1 3 2 48.52 11.11 1.8761 -2 -2 2 2 48.64 11.77 1.8718 -2 1 2 2 49.03 4.16 1.8578 0 4 0 2 49.21 2.07 1.8514 0 3 2 2 49.38 4.91 1.8457 2 -1 3 2 49.51 4.41 1.8410 2 0 3 2 49.59 2.00 1.8384 2 3 0 2 50.35 1.60 1.8123 1 -3 3 2 50.39 1.02 1.8109 0 2 3 2 50.42 3.72 1.8100 -2 -3 1 2 50.93 1.98 1.7932 1 3 2 2 51.33 1.00 1.7800 -2 3 0 2 51.41 3.90 1.7775 1 -4 1 2 51.61 9.31 1.7710 1 4 0 2 51.67 4.49 1.7690 0 -1 4 2 51.72 5.47 1.7675 1 2 3 2 51.82 3.65 1.7643 3 0 0 2 52.12 3.75 1.7547 3 0 1 2 52.43 4.70 1.7453 2 -2 3 2 52.56 4.90 1.7411 2 -3 2 2 52.75 5.62 1.7355 -1 4 0 2 52.81 6.75 1.7336 2 1 3 2 52.91 14.72 1.7305 1 -1 4 2 53.51 4.61 1.7125 0 4 1 2 53.64 10.08 1.7087 1 -4 2 2 53.75 4.98 1.7054 -1 3 2 2 53.90 1.71 1.7011 3 1 1 2 54.46 11.90 1.6848 -1 -4 2 2 55.20 1.28 1.6640 -1 2 3 2 55.50 6.05 1.6557 -3 -1 1 2 55.99 6.99 1.6423 -2 3 1 2 56.47 3.33 1.6295 -1 -1 4 2 56.55 7.29 1.6274 3 -1 2 2 56.80 8.19 1.6210 0 1 4 2 57.06 1.42 1.6141 3 2 0 2 57.15 1.16 1.6118 0 -4 3 2 57.55 2.81 1.6015 -3 1 1 2 58.22 3.20 1.5847 3 1 2 2 58.30 2.17 1.5826 2 -3 3 2 58.50 5.56 1.5779 2 3 2 2 58.57 9.34 1.5760 3 2 1 2 58.65 8.98 1.5741 -3 2 0 2 58.88 6.65 1.5684 -3 -2 1 2 59.02 2.34 1.5651 -2 1 3 2 59.16 2.67 1.5618 1 -4 3 2 59.82 6.64 1.5461 0 3 3 2 60.03 3.46 1.5411 1 -3 4 2 60.03 5.79 1.5410 -2 -4 1 2 60.07 6.28 1.5401 3 -2 2 2 60.30 3.68 1.5350 2 -4 1 2 60.88 4.20 1.5217 1 3 3 2 61.02 1.59 1.5184 0 4 2 2 61.25 2.04 1.5133 -3 -1 2 2 61.41 1.65 1.5098 -3 0 2 2 61.87 2.03 1.4996 2 -4 2 2 61.95 3.46 1.4979 -2 4 0 2 62.16 13.65 1.4933 -2 -3 3 2 62.49 1.91 1.4862 0 5 0 2 62.76 1.07 1.4804 3 0 3 2 62.78 1.20 1.4801 3 -1 3 2 62.83 3.69 1.4790 -1 -3 4 2 62.98 3.33 1.4758 2 4 1 2 63.70 1.26 1.4609 -1 -5 1 2 64.08 1.88 1.4533 1 -5 1 2 64.12 8.16 1.4523 2 1 4 2 64.28 1.40 1.4491 -1 3 3 2 64.34 1.28 1.4479 -3 1 2 2 64.58 2.65 1.4431 1 5 0 2 65.23 1.07 1.4304 -2 2 3 2 65.49 2.63 1.4252 3 1 3 2 65.75 2.33 1.4202 3 3 1 2 65.81 1.35 1.4190 -1 5 0 2 65.97 1.23 1.4161 0 -1 5 2 65.99 1.76 1.4156 -3 3 0 2 66.44 1.38 1.4072 -2 -1 4 2 66.54 2.66 1.4052 2 -4 3 2 66.61 1.79 1.4040 1 -1 5 2 66.82 8.34 1.4001 2 -3 4 2 66.93 4.23 1.3981 0 5 1 2 67.17 1.12 1.3937 0 -2 5 2 67.31 2.11 1.3910 2 3 3 2 67.45 3.14 1.3885 0 0 5 2 67.60 1.94 1.3858 -2 0 4 2 69.74 6.54 1.3484 -3 -1 3 2 69.85 3.86 1.3465 -3 2 2 2 69.87 3.67 1.3463 1 -5 3 2 70.56 2.48 1.3348 -1 5 1 2 70.57 3.14 1.3346 -1 -1 5 2 70.80 2.26 1.3308 3 2 3 2 70.99 4.07 1.3277 0 -3 5 2 71.11 8.13 1.3258 4 0 1 2 71.17 4.30 1.3248 -1 -5 3 2 71.27 2.64 1.3232 4 0 0 2 71.38 4.33 1.3215 -2 1 4 2 71.68 5.66 1.3167 3 -1 4 2 72.13 1.26 1.3095 -1 0 5 2 72.71 2.73 1.3005 3 4 0 2 72.92 1.75 1.2972 1 3 4 2 73.24 1.19 1.2924 -3 -4 1 2 73.60 2.96 1.2870 3 -4 1 2 73.62 1.72 1.2867 2 0 5 2 73.72 4.49 1.2851 -2 3 3 2 73.73 2.01 1.2850 -3 1 3 2 73.91 1.59 1.2823 4 0 2 2 74.39 4.45 1.2753 -4 0 1 2 74.62 1.10 1.2718 3 -4 2 2 75.20 1.07 1.2635 2 5 1 2 75.31 5.33 1.2619 1 5 2 2 75.60 3.21 1.2578 0 -5 4 2 76.10 2.00 1.2507 4 -2 1 2 76.39 4.36 1.2467 0 -6 2 2 76.70 3.26 1.2426 -3 -4 2 2 76.86 1.97 1.2403 -1 3 4 2 76.99 4.50 1.2385 0 6 0 2 77.45 1.11 1.2324 -1 -6 1 2 77.71 2.10 1.2288 -3 3 2 2 77.73 2.27 1.2286 2 -3 5 2 77.77 1.36 1.2280 2 4 3 2 78.02 1.95 1.2247 1 -6 1 2 78.07 2.51 1.2241 -1 5 2 2 78.21 2.05 1.2222 1 -4 5 2 78.33 4.47 1.2207 1 2 5 2 78.47 2.47 1.2189 3 3 3 2 78.49 1.31 1.2186 2 3 4 2 78.55 1.54 1.2179 3 -4 3 2 78.99 1.82 1.2121 -1 -6 2 2 79.56 1.06 1.2048 4 0 3 2 80.08 1.40 1.1984 -4 -1 2 2 80.92 1.89 1.1880 -2 -2 5 2 81.28 1.76 1.1837 -1 -4 5 2 81.32 1.31 1.1832 4 3 0 2 81.86 2.25 1.1768 1 -1 6 2 81.94 1.70 1.1758 4 1 3 2 82.31 1.29 1.1714 4 -2 3 2 82.32 1.10 1.1713 -4 -2 2 2 82.38 1.37 1.1707 1 -6 3 2 82.75 3.08 1.1663 -1 2 5 2 83.43 1.92 1.1585 4 -3 2 2 83.45 1.76 1.1583 2 -5 4 2 83.64 1.77 1.1561 1 0 6 2 84.03 1.59 1.1517 0 5 3 2 84.29 3.87 1.1489 -2 -3 5 2 84.35 1.65 1.1483 -2 4 3 2 85.48 2.34 1.1360 2 6 0 2 86.02 1.11 1.1302 2 -6 2 2 86.46 1.39 1.1255 -2 -6 2 2 86.91 1.55 1.1209 1 -5 5 2 86.99 1.61 1.1200 4 3 2 2 87.75 1.53 1.1123 2 -2 6 2 87.92 1.07 1.1106 0 1 6 2 88.17 1.81 1.1081 -2 6 0 2 88.21 1.06 1.1077 -1 5 3 2 88.35 1.51 1.1063 -1 0 6 2 88.50 1.03 1.1048 3 -5 3 2 89.05 1.49 1.0994 2 4 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.