Ba Ni O7 P2 Riou D, Leligny H, Pham C, Labbe P, Raveau B Acta Crystallographica B47 (1991) 608-617 BaNiP2O7, a triclinic diphosphate with a modulated structure ofthe displacive type _cod_database_code 1001511 _database_code_amcsd 0010491 CELL PARAMETERS: 5.3170 7.5800 7.1160 101.260 84.480 89.490 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 279.858 Density (g/cm3): 4.390 MAX. ABS. INTENSITY / VOLUME**2: 19.38158196 RIR: 1.438 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.91 9.99 7.4311 0 1 0 2 12.75 4.36 6.9441 0 0 1 2 15.66 10.86 5.6605 0 -1 1 2 16.76 8.23 5.2902 1 0 0 2 19.14 11.07 4.6382 0 1 1 2 20.06 39.26 4.4266 1 0 1 2 20.33 1.13 4.3686 1 1 0 2 20.89 8.78 4.2531 -1 1 0 2 22.12 12.09 4.0191 -1 0 1 2 22.30 5.77 3.9857 1 -1 1 2 23.70 36.77 3.7546 -1 -1 1 2 23.95 14.51 3.7156 0 2 0 2 24.43 24.04 3.6433 1 1 1 2 24.85 19.92 3.5829 0 -2 1 2 25.66 89.39 3.4721 0 0 2 2 26.61 36.21 3.3502 -1 1 1 2 28.97 53.56 3.0819 1 2 0 2 29.33 4.89 3.0456 1 0 2 2 29.41 3.21 3.0366 0 2 1 2 29.77 92.82 3.0008 -1 2 0 2 29.78 7.18 3.0004 1 -2 1 2 29.91 64.03 2.9869 1 -1 2 2 30.47 41.53 2.9338 -1 -2 1 2 30.49 42.58 2.9319 0 1 2 2 31.61 9.93 2.8302 0 -2 2 2 32.22 4.75 2.7783 -1 0 2 2 32.40 28.05 2.7634 -1 -1 2 2 33.02 26.20 2.7131 1 2 1 2 33.50 4.49 2.6750 1 1 2 2 33.89 53.34 2.6451 2 0 0 2 35.05 19.62 2.5600 1 -2 2 2 35.08 23.77 2.5583 2 0 1 2 35.71 1.07 2.5146 2 1 0 2 36.02 30.20 2.4937 0 -3 1 2 36.27 1.26 2.4770 0 3 0 2 36.37 4.08 2.4699 -2 1 0 2 36.43 1.81 2.4665 -1 1 2 2 36.63 4.68 2.4533 2 -1 1 2 36.90 5.73 2.4357 -1 -2 2 2 37.58 2.59 2.3936 -2 0 1 2 37.70 4.12 2.3860 2 1 1 2 38.38 22.51 2.3451 0 -1 3 2 38.83 6.09 2.3191 0 2 2 2 40.65 3.46 2.2193 -1 3 0 2 40.77 6.88 2.2133 2 0 2 2 40.97 4.18 2.2029 1 0 3 2 41.03 9.82 2.1999 0 3 1 2 41.16 10.13 2.1931 1 2 2 2 41.33 23.37 2.1843 2 2 0 2 41.71 7.53 2.1655 0 -2 3 2 41.96 22.62 2.1530 2 -2 1 2 43.64 7.96 2.0742 -1 -1 3 2 43.65 11.94 2.0735 1 3 1 2 43.85 3.73 2.0645 2 1 2 2 43.86 6.64 2.0640 2 2 1 2 43.93 14.65 2.0610 -1 2 2 2 44.25 1.89 2.0469 -1 0 3 2 44.61 2.16 2.0312 -1 -3 2 2 44.93 10.37 2.0177 1 1 3 2 45.11 6.55 2.0098 -2 -1 2 2 45.12 13.42 2.0096 -2 0 2 2 45.55 8.73 1.9916 -1 3 1 2 46.52 4.57 1.9521 -1 -2 3 2 47.04 5.72 1.9316 -2 2 1 2 48.14 11.00 1.8900 0 -4 1 2 48.23 15.91 1.8868 0 -3 3 2 48.25 12.85 1.8860 -1 1 3 2 48.49 7.30 1.8773 -2 -2 2 2 48.50 10.09 1.8768 -2 1 2 2 49.03 3.64 1.8578 0 4 0 2 49.22 1.79 1.8514 0 3 2 2 49.51 3.43 1.8410 2 -1 3 2 49.68 5.04 1.8351 2 0 3 2 49.71 1.27 1.8342 2 3 0 2 50.36 1.65 1.8118 1 -3 3 2 50.48 3.43 1.8079 -2 -3 1 2 51.36 4.45 1.7789 1 -4 1 2 51.66 2.09 1.7695 0 -1 4 2 51.68 8.95 1.7686 1 4 0 2 51.83 4.73 1.7638 1 2 3 2 51.85 3.58 1.7634 3 0 0 2 52.23 2.14 1.7514 3 0 1 2 52.52 3.17 1.7425 2 -2 3 2 52.57 3.78 1.7409 2 -3 2 2 52.68 4.89 1.7375 -1 4 0 2 52.98 10.54 1.7283 1 -1 4 2 53.01 6.38 1.7275 2 1 3 2 53.51 4.14 1.7124 0 4 1 2 53.61 6.49 1.7094 1 -4 2 2 53.65 5.08 1.7083 -1 3 2 2 54.47 8.54 1.6845 -1 -4 2 2 55.09 1.03 1.6671 -1 2 3 2 55.11 1.40 1.6666 1 -2 4 2 55.50 5.80 1.6557 -3 -1 1 2 55.85 6.81 1.6460 -2 3 1 2 56.37 2.86 1.6321 -1 -1 4 2 56.67 3.70 1.6242 3 -1 2 2 56.79 5.65 1.6212 0 1 4 2 57.13 1.41 1.6122 0 -4 3 2 57.39 1.01 1.6055 -1 4 1 2 57.45 2.11 1.6039 -3 1 1 2 58.18 1.17 1.5856 -1 -2 4 2 58.35 1.11 1.5814 2 -3 3 2 58.44 2.89 1.5792 3 1 2 2 58.58 6.68 1.5759 -3 2 0 2 58.70 4.78 1.5728 2 3 2 2 58.77 8.62 1.5712 3 2 1 2 58.85 2.21 1.5692 -2 1 3 2 58.93 5.05 1.5672 -3 -2 1 2 59.15 3.40 1.5619 1 -4 3 2 59.82 5.38 1.5461 0 3 3 2 60.12 4.05 1.5390 -2 -4 1 2 60.14 4.84 1.5385 3 -2 2 2 60.23 2.09 1.5366 2 -4 1 2 61.00 3.91 1.5189 1 3 3 2 61.03 1.58 1.5183 0 4 2 2 61.84 3.70 1.5004 -2 4 0 2 61.84 1.99 1.5002 2 -4 2 2 62.11 9.73 1.4944 -2 -3 3 2 62.49 1.59 1.4862 0 5 0 2 62.67 1.47 1.4825 -3 2 1 2 62.77 1.56 1.4804 -1 -3 4 2 62.96 1.35 1.4763 3 -1 3 2 63.17 2.88 1.4720 2 4 1 2 63.75 1.19 1.4598 -1 -5 1 2 64.02 2.15 1.4543 1 -5 1 2 64.17 1.31 1.4514 -1 3 3 2 64.18 1.59 1.4512 -3 1 2 2 64.34 4.23 1.4479 2 1 4 2 64.66 2.14 1.4415 1 5 0 2 65.74 1.12 1.4204 -1 5 0 2 65.88 1.54 1.4177 -3 3 0 2 65.94 1.72 1.4165 0 -1 5 2 65.99 1.05 1.4157 3 3 1 2 66.56 2.08 1.4050 2 -4 3 2 66.90 5.31 1.3986 2 -3 4 2 66.93 3.90 1.3980 0 5 1 2 67.14 1.42 1.3941 0 -2 5 2 67.42 1.92 1.3891 -2 0 4 2 67.43 1.36 1.3888 0 0 5 2 67.55 1.18 1.3867 2 3 3 2 69.60 4.68 1.3508 -3 -1 3 2 69.65 3.11 1.3499 -3 2 2 2 69.82 1.02 1.3471 -1 -4 4 2 69.85 2.42 1.3466 1 -5 3 2 70.45 1.46 1.3365 -1 -1 5 2 70.47 2.30 1.3363 -1 5 1 2 70.96 2.23 1.3282 0 -3 5 2 71.11 1.48 1.3258 3 2 3 2 71.16 2.05 1.3250 -1 -5 3 2 71.17 3.55 1.3248 -2 1 4 2 71.24 8.13 1.3237 4 0 1 2 71.91 2.75 1.3130 3 -1 4 2 72.00 1.41 1.3115 -1 0 5 2 72.91 1.89 1.2975 3 4 0 2 73.37 1.10 1.2904 -3 -4 1 2 73.51 1.32 1.2883 -3 1 3 2 73.51 2.72 1.2883 3 -4 1 2 73.51 3.61 1.2883 -2 3 3 2 74.34 3.75 1.2760 -4 0 1 2 75.43 4.60 1.2602 1 5 2 2 75.58 1.44 1.2581 0 -5 4 2 76.11 1.17 1.2506 4 -2 1 2 76.38 3.47 1.2469 0 -6 2 2 76.73 1.64 1.2420 -1 3 4 2 76.75 2.16 1.2418 -3 -4 2 2 76.99 3.93 1.2385 0 6 0 2 77.48 1.91 1.2319 -3 3 2 2 77.96 1.69 1.2256 1 -6 1 2 77.96 2.08 1.2255 -1 5 2 2 78.24 1.85 1.2219 1 -4 5 2 78.45 2.65 1.2190 1 2 5 2 78.58 1.37 1.2174 3 -4 3 2 78.75 1.13 1.2152 2 3 4 2 78.81 1.60 1.2144 3 3 3 2 79.03 1.31 1.2116 -1 -6 2 2 80.00 1.15 1.1993 -4 -1 2 2 80.75 1.88 1.1901 -2 -2 5 2 81.20 1.42 1.1846 -1 -4 5 2 81.94 1.51 1.1757 1 -1 6 2 82.28 1.12 1.1717 4 1 3 2 82.34 1.25 1.1711 1 -6 3 2 82.61 2.03 1.1680 -1 2 5 2 83.47 1.34 1.1581 4 -3 2 2 83.75 1.03 1.1550 1 0 6 2 84.04 1.45 1.1517 0 5 3 2 84.12 1.36 1.1508 -2 4 3 2 84.15 2.19 1.1505 -2 -3 5 2 85.65 1.61 1.1341 2 6 0 2 86.91 1.15 1.1208 1 -5 5 2 87.05 1.10 1.1194 -4 -3 2 2 88.01 1.25 1.1096 -2 6 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.