Neptunite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060901 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 = 493 K CELL PARAMETERS: 16.42600 12.53200 9.995000 90.00000 115.5100 90.00000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 9.24 100.00 9.5788 1 1 0 11.44 39.75 7.7337 -1 1 1 15.21 12.86 5.8239 1 1 1 17.76 1.02 4.9917 -3 1 1 18.40 4.22 4.8205 -2 2 1 18.52 4.50 4.7894 2 2 0 19.23 6.83 4.6153 -1 1 2 19.61 30.84 4.5263 0 0 2 22.11 3.04 4.0190 1 3 0 22.99 3.90 3.8668 -2 2 2 23.14 20.02 3.8424 -1 3 1 23.28 1.15 3.8191 2 2 1 23.55 2.00 3.7766 -4 0 2 23.93 5.42 3.7176 4 0 0 25.26 60.39 3.5246 1 3 1 26.91 24.33 3.3123 -3 3 1 27.91 49.97 3.1951 -1 3 2 27.93 35.73 3.1929 3 3 0 28.17 4.08 3.1666 -5 1 1 28.43 1.14 3.1376 -1 1 3 28.84 25.77 3.0946 -5 1 2 29.42 12.31 3.0344 -3 3 2 30.19 5.94 2.9588 0 4 1 30.31 54.68 2.9472 -2 2 3 30.69 29.18 2.9119 2 2 2 30.89 26.93 2.8936 5 1 0 31.42 44.76 2.8457 1 3 2 32.19 10.14 2.7795 3 3 1 32.71 26.83 2.7366 -5 1 3 32.79 5.52 2.7300 3 1 2 32.90 1.59 2.7214 -6 0 2 33.50 1.01 2.6738 1 1 3 33.93 2.96 2.6408 -2 4 2 34.78 3.72 2.5779 -3 3 3 35.03 15.38 2.5600 -1 3 3 35.96 23.61 2.4958 -6 2 2 36.02 1.38 2.4918 -4 4 1 36.16 24.51 2.4829 -6 2 1 36.31 14.72 2.4728 5 1 1 36.53 1.04 2.4582 -4 0 4 36.56 2.16 2.4563 -3 1 4 37.02 1.15 2.4271 -1 5 1 37.29 7.21 2.4103 -4 4 2 37.54 2.89 2.3947 4 4 0 38.23 6.66 2.3530 -1 1 4 38.44 1.30 2.3407 1 5 1 38.66 1.50 2.3278 -5 3 3 38.93 2.53 2.3122 -5 1 4 38.97 10.10 2.3098 -7 1 2 39.01 1.62 2.3076 -2 2 4 39.34 3.68 2.2888 1 3 3 39.43 1.65 2.2839 2 2 3 39.59 1.24 2.2753 -3 5 1 39.83 6.85 2.2617 -7 1 1 39.81 1.31 2.2631 0 0 4 40.31 1.99 2.2362 -1 5 2 40.71 5.98 2.2153 -7 1 3 41.54 33.05 2.1726 0 4 3 41.82 1.18 2.1589 5 3 1 41.80 4.12 2.1600 3 1 3 42.92 3.29 2.1058 1 5 2 43.17 4.24 2.0944 7 1 0 43.41 11.37 2.0834 -6 2 4 43.53 3.73 2.0778 -1 3 4 43.54 8.13 2.0776 1 1 4 43.57 2.05 2.0759 5 1 2 43.97 12.05 2.0579 -8 0 2 44.16 1.35 2.0496 -5 3 4 44.23 7.76 2.0464 6 2 1 44.79 1.02 2.0223 -7 1 4 45.04 3.56 2.0118 -2 6 1 45.09 6.72 2.0095 2 6 0 45.58 4.48 1.9891 -5 5 1 45.76 4.00 1.9818 -1 5 3 46.02 2.73 1.9708 -5 5 2 45.93 2.54 1.9748 -3 1 5 46.73 1.51 1.9427 -5 1 5 46.68 1.81 1.9448 2 0 4 47.28 11.31 1.9212 -2 6 2 47.44 10.80 1.9153 2 6 1 48.02 1.56 1.8933 7 3 0 48.36 1.41 1.8808 1 3 4 48.49 3.86 1.8763 -1 1 5 48.56 3.65 1.8737 -2 2 5 49.29 1.44 1.8477 1 5 3 49.52 1.59 1.8395 -7 3 4 50.51 2.26 1.8059 -9 1 2 51.60 2.89 1.7700 -2 6 3 51.57 1.13 1.7712 -3 5 4 51.58 2.03 1.7708 3 1 4 51.85 6.63 1.7623 2 6 2 52.11 1.68 1.7541 5 1 3 52.59 1.08 1.7393 0 2 5 54.07 2.07 1.6949 -8 4 3 54.11 2.33 1.6939 -7 5 1 54.05 2.34 1.6954 1 1 5 54.38 4.73 1.6860 -4 4 5 54.45 1.77 1.6841 -8 4 1 54.80 1.90 1.6741 -7 5 3 54.94 1.75 1.6702 -4 0 6 55.12 2.67 1.6651 -7 3 5 55.13 3.34 1.6648 4 4 3 55.37 2.19 1.6582 -3 7 2 55.44 1.62 1.6562 -6 6 2 55.58 2.13 1.6524 -6 6 1 55.67 5.28 1.6499 3 5 3 55.88 2.04 1.6442 3 3 4 56.79 5.32 1.6201 7 5 0 57.07 1.05 1.6127 3 7 1 57.67 1.98 1.5975 -2 6 4 57.98 1.12 1.5896 2 6 3 58.01 4.65 1.5889 -10 2 3 58.12 3.91 1.5860 -7 5 4 58.15 1.48 1.5854 -6 2 6 58.23 4.14 1.5833 -10 2 2 58.26 2.74 1.5827 -7 1 6 58.76 4.97 1.5703 -3 7 3 58.96 2.32 1.5654 0 8 0 58.89 1.33 1.5673 0 4 5 59.07 2.31 1.5628 -3 5 5 59.27 3.72 1.5581 -1 1 6 59.35 1.42 1.5560 6 2 3 59.75 1.85 1.5467 -5 5 5 59.72 2.61 1.5473 -10 2 4 60.38 3.80 1.5319 -10 2 1 61.30 4.67 1.5112 7 5 1 61.48 1.04 1.5071 3 7 2 61.41 7.63 1.5088 0 0 6 61.56 15.40 1.5054 -8 4 5 62.77 1.44 1.4794 0 8 2 62.60 18.20 1.4830 8 4 1 63.21 1.92 1.4701 -7 5 5 63.61 1.68 1.4618 -11 1 4 63.91 1.43 1.4556 3 5 4 63.89 3.58 1.4560 4 4 4 63.90 1.83 1.4558 7 1 3 64.19 1.01 1.4500 -8 6 3 65.19 1.03 1.4302 -2 6 5 65.36 2.14 1.4268 -9 5 4 65.53 1.05 1.4235 -7 7 2 65.56 2.43 1.4229 2 6 4 65.68 2.12 1.4205 -11 1 1 66.13 1.80 1.4120 -7 7 1 66.58 1.67 1.4035 -11 1 5 66.76 1.16 1.4003 -8 6 4 67.03 2.05 1.3952 -4 8 3 66.99 2.50 1.3959 -7 1 7 67.36 1.69 1.3892 4 8 1 67.57 6.05 1.3854 1 9 0 67.36 3.08 1.3892 -6 2 7 67.43 1.01 1.3879 7 5 2 67.52 1.69 1.3863 -5 5 6 68.00 3.33 1.3777 -1 9 1 67.83 1.85 1.3807 -3 5 6 67.91 2.44 1.3792 9 5 0 68.93 2.33 1.3613 1 9 1 68.69 1.26 1.3654 9 1 2 68.72 5.91 1.3650 6 2 4 69.22 5.60 1.3563 -9 5 5 71.03 1.32 1.3262 -9 1 7 72.94 2.58 1.2960 9 5 1 74.17 1.64 1.2776 -9 7 2 74.42 2.29 1.2739 -9 7 3 76.24 1.82 1.2479 -12 4 4 76.39 3.64 1.2459 -8 8 2 76.45 1.36 1.2450 -5 1 8 76.71 1.98 1.2414 -12 4 2 77.08 1.15 1.2364 10 2 2 77.13 1.61 1.2358 9 1 3 77.97 1.55 1.2246 4 8 3 77.83 1.74 1.2264 4 0 6 78.51 1.14 1.2175 -4 2 8 80.57 1.20 1.1914 1 3 7 83.57 1.19 1.1561 -10 2 8 85.60 1.39 1.1338 7 7 3 86.79 1.30 1.1213 -6 10 3 86.71 1.11 1.1221 -1 9 5 86.74 1.13 1.1219 1 7 6 88.42 1.32 1.1048 -7 7 7 89.18 1.18 1.0973 -8 8 6 89.18 1.18 1.0973 -8 8 6 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.