Neptunite Kunz M, Armbruster T, Lager G A, Schultz A J, Goyette R J, Lottermoser W, Amthauer G Physics and Chemistry of Minerals 18 (1991) 199-213 Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 293 K Locality: San Benito, California, USA _database_code_amcsd 0007532 CELL PARAMETERS: 16.4270 12.4780 9.9750 90.000 115.560 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 1844.536 Density (g/cm3): 3.270 MAX. ABS. INTENSITY / VOLUME**2: 7.675832301 RIR: 0.764 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.27 100.00 9.5450 1 1 0 2 11.49 40.10 7.7027 -1 1 1 2 15.29 12.96 5.7933 1 1 1 2 17.81 1.02 4.9789 -3 1 1 2 18.46 3.97 4.8050 -2 2 1 2 18.59 3.92 4.7725 2 2 0 2 19.33 7.37 4.5917 -1 1 2 2 19.73 30.56 4.4994 0 0 2 1 22.20 3.17 4.0046 1 3 0 2 23.09 4.21 3.8514 -2 2 2 2 23.24 20.19 3.8282 -1 3 1 2 23.40 1.50 3.8016 2 2 1 2 23.62 2.07 3.7666 -4 0 2 1 24.02 5.45 3.7048 4 0 0 1 25.38 63.48 3.5098 1 3 1 2 27.00 26.10 3.3019 -3 3 1 2 28.04 36.71 3.1817 3 3 0 2 28.05 51.79 3.1812 -1 3 2 2 28.26 4.17 3.1583 -5 1 1 2 28.61 1.17 3.1204 -1 1 3 2 28.92 27.56 3.0868 -5 1 2 2 29.54 14.10 3.0240 -3 3 2 2 30.32 6.19 2.9474 0 4 1 2 30.47 58.65 2.9333 -2 2 3 2 30.87 32.79 2.8966 2 2 2 2 31.01 29.93 2.8836 5 1 0 2 31.59 45.85 2.8319 1 3 2 2 32.35 11.07 2.7677 3 3 1 2 32.83 28.55 2.7283 -5 1 3 2 32.99 5.51 2.7154 3 1 2 2 32.99 1.57 2.7149 -6 0 2 1 34.08 3.27 2.6308 -2 4 2 2 34.95 3.86 2.5676 -3 3 3 2 35.23 16.22 2.5475 -1 3 3 2 36.08 26.21 2.4894 -6 2 2 2 36.16 1.57 2.4839 -4 4 1 2 36.28 26.54 2.4758 -6 2 1 2 36.49 16.11 2.4621 5 1 1 2 36.72 1.09 2.4477 -4 0 4 1 36.77 2.17 2.4446 -3 1 4 2 37.18 1.43 2.4183 -1 5 1 2 37.43 7.67 2.4025 -4 4 2 2 37.70 3.05 2.3863 4 4 0 2 38.48 7.63 2.3397 -1 1 4 2 38.61 1.84 2.3317 1 5 1 2 38.81 1.59 2.3204 -5 3 3 2 39.09 11.03 2.3042 -7 1 2 2 39.10 3.18 2.3037 -5 1 4 2 39.24 1.90 2.2958 -2 2 4 2 39.58 3.65 2.2768 1 3 3 2 39.69 2.10 2.2711 2 2 3 2 39.75 1.51 2.2676 -3 5 1 2 39.98 7.06 2.2553 -7 1 1 2 40.08 1.54 2.2497 0 0 4 1 40.50 2.33 2.2273 -1 5 2 2 40.84 6.68 2.2097 -7 1 3 2 41.59 1.07 2.1713 -3 5 2 2 41.78 37.99 2.1622 0 4 3 2 42.03 1.25 2.1500 5 3 1 2 42.07 4.63 2.1478 3 1 3 2 43.14 3.66 2.0968 1 5 2 2 43.35 5.13 2.0872 7 1 0 2 43.58 13.23 2.0766 -6 2 4 2 43.80 3.50 2.0670 -1 3 4 2 43.83 2.43 2.0656 5 1 2 2 43.84 9.76 2.0653 1 1 4 2 44.11 14.85 2.0529 -8 0 2 1 44.36 1.42 2.0421 -5 3 4 2 44.46 8.88 2.0379 6 2 1 2 45.23 4.23 2.0047 -2 6 1 2 45.29 7.55 2.0023 2 6 0 2 45.76 4.48 1.9826 -5 5 1 2 46.00 4.75 1.9732 -1 5 3 2 46.21 2.65 1.9647 -3 1 5 2 46.21 2.93 1.9646 -5 5 2 2 46.97 1.51 1.9345 -5 1 5 2 47.00 1.72 1.9332 2 0 4 1 47.50 12.56 1.9141 -2 6 2 2 47.67 11.94 1.9079 2 6 1 2 48.23 1.97 1.8867 7 3 0 2 48.68 1.63 1.8705 1 3 4 2 48.82 4.44 1.8655 -1 1 5 2 48.87 4.00 1.8636 -2 2 5 2 49.57 1.78 1.8391 1 5 3 2 49.72 1.71 1.8339 -7 3 4 2 50.68 2.78 1.8014 -9 1 2 2 50.88 1.07 1.7948 -3 3 5 2 51.84 1.16 1.7637 -3 5 4 2 51.86 3.70 1.7630 -2 6 3 2 51.94 2.06 1.7605 3 1 4 2 52.12 7.50 1.7549 2 6 2 2 52.44 1.99 1.7448 5 1 3 2 52.95 1.27 1.7292 0 2 5 2 54.27 2.28 1.6902 -8 4 3 2 54.33 2.69 1.6885 -7 5 1 2 54.44 2.74 1.6854 1 1 5 2 54.67 1.94 1.6789 -8 4 1 2 54.68 5.85 1.6785 -4 4 5 2 55.02 2.59 1.6691 -7 5 3 2 55.28 2.13 1.6618 -4 0 6 1 55.37 3.08 1.6594 -7 3 5 2 55.47 4.11 1.6566 4 4 3 2 55.62 2.77 1.6524 -3 7 2 2 55.67 2.01 1.6510 -6 6 2 2 55.82 2.73 1.6470 -6 6 1 2 56.01 6.50 1.6419 3 5 3 2 56.26 2.42 1.6351 3 3 4 2 57.05 6.27 1.6144 7 5 0 2 57.35 1.37 1.6065 3 7 1 2 57.98 2.37 1.5906 -2 6 4 2 58.21 5.50 1.5850 -10 2 3 2 58.31 1.35 1.5823 2 6 3 2 58.37 4.45 1.5810 -7 5 4 2 58.44 5.02 1.5791 -10 2 2 2 58.46 1.68 1.5787 -6 2 6 2 58.55 3.74 1.5765 -7 1 6 2 59.05 5.73 1.5644 -3 7 3 2 59.24 3.27 1.5597 0 8 0 2 59.28 1.73 1.5589 0 4 5 2 59.41 2.96 1.5557 -3 5 5 2 59.69 4.49 1.5491 -1 1 6 2 59.73 1.70 1.5481 6 2 3 2 59.93 3.13 1.5434 -10 2 4 2 60.06 2.47 1.5405 -5 5 5 2 60.49 1.14 1.5306 -3 3 6 2 60.63 4.48 1.5273 -10 2 1 2 61.61 5.73 1.5053 7 5 1 2 61.81 1.36 1.5009 3 7 2 2 61.83 19.64 1.5006 -8 4 5 2 61.86 9.44 1.4998 0 0 6 1 62.63 1.25 1.4832 2 8 1 2 62.92 23.22 1.4772 8 4 1 2 63.08 1.65 1.4737 0 8 2 2 63.50 2.23 1.4650 -7 5 5 2 63.83 2.33 1.4582 -11 1 4 2 64.31 2.41 1.4486 7 1 3 2 64.32 4.04 1.4483 4 4 4 2 64.32 1.84 1.4482 3 5 4 2 64.45 1.40 1.4457 -8 6 3 2 65.58 1.24 1.4236 -2 6 5 2 65.62 2.54 1.4227 -9 5 4 2 65.81 1.22 1.4190 -7 7 2 2 65.96 2.64 1.4163 -11 1 1 2 65.96 1.05 1.4161 5 3 4 2 65.97 2.62 1.4159 2 6 4 2 66.43 2.06 1.4074 -7 7 1 2 66.83 2.02 1.4000 -11 1 5 2 67.04 1.37 1.3960 -8 6 4 2 67.36 2.47 1.3902 -4 8 3 2 67.37 3.19 1.3900 -7 1 7 2 67.70 1.97 1.3839 4 8 1 2 67.76 3.96 1.3828 -6 2 7 2 67.82 1.09 1.3819 7 5 2 2 67.90 7.68 1.3804 1 9 0 2 67.90 1.98 1.3803 -5 5 6 2 68.24 2.76 1.3744 9 5 0 2 68.26 2.20 1.3741 -3 5 6 2 68.33 3.79 1.3727 -1 9 1 2 69.10 1.86 1.3594 9 1 2 2 69.20 7.60 1.3577 6 2 4 2 69.28 2.75 1.3563 1 9 1 2 69.52 7.23 1.3522 -9 5 5 2 70.28 1.13 1.3394 11 1 0 2 71.11 1.17 1.3257 -7 3 7 2 71.38 1.64 1.3214 -9 1 7 2 73.33 3.33 1.2910 9 5 1 2 74.50 2.00 1.2736 -9 7 2 2 74.66 1.12 1.2713 -5 9 2 2 74.75 2.62 1.2700 -9 7 3 2 74.95 1.26 1.2671 2 6 5 2 75.68 1.25 1.2567 -10 2 7 2 75.99 1.32 1.2523 -9 7 1 2 76.54 2.08 1.2447 -12 4 4 2 76.73 1.24 1.2421 -9 7 4 2 76.74 4.91 1.2419 -8 8 2 2 76.98 2.04 1.2387 -5 1 8 2 77.04 2.38 1.2379 -12 4 2 2 77.54 1.55 1.2311 10 2 2 2 77.55 1.06 1.2310 -2 10 1 2 77.63 2.07 1.2299 9 1 3 2 78.44 2.12 1.2192 4 8 3 2 78.44 2.35 1.2192 4 0 6 1 79.07 1.20 1.2111 -4 2 8 2 81.21 1.81 1.1845 1 3 7 2 84.02 1.69 1.1519 -10 2 8 2 86.15 1.93 1.1288 7 7 3 2 87.24 1.63 1.1174 -6 10 3 2 87.26 1.51 1.1172 -1 9 5 2 87.37 1.60 1.1162 1 7 6 2 88.95 2.00 1.1004 -7 7 7 2 89.67 1.58 1.0934 -8 8 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.