Neptunite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060746 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 = 15 K CELL PARAMETERS: 16.43600 12.43600 9.966000 90.00000 115.6300 90.00000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 9.28 100.00 9.5556 1 1 0 11.50 40.59 7.7127 -1 1 1 15.30 13.58 5.7993 1 1 1 17.81 1.22 4.9844 -3 1 1 18.46 3.96 4.8110 -2 2 1 18.59 3.85 4.7778 2 2 0 19.32 7.39 4.5975 -1 1 2 19.72 30.78 4.5046 0 0 2 22.19 3.16 4.0096 1 3 0 23.08 4.57 3.8564 -2 2 2 23.22 20.88 3.8331 -1 3 1 23.39 1.67 3.8055 2 2 1 23.61 1.97 3.7712 -4 0 2 24.01 5.47 3.7081 4 0 0 25.36 64.73 3.5140 1 3 1 26.98 27.29 3.3059 -3 3 1 27.99 1.01 3.1887 4 2 0 28.02 37.83 3.1852 3 3 0 28.02 52.25 3.1853 -1 3 2 28.24 4.55 3.1614 -5 1 1 28.58 1.50 3.1242 -1 1 3 28.90 28.75 3.0904 -5 1 2 29.51 15.12 3.0278 -3 3 2 30.29 7.11 2.9511 0 4 1 30.44 61.93 2.9371 -2 2 3 30.84 35.73 2.8996 2 2 2 30.99 31.13 2.8862 5 1 0 31.56 47.25 2.8352 1 3 2 32.32 11.72 2.7706 3 3 1 32.79 30.26 2.7318 -5 1 3 32.96 1.59 2.7179 -6 0 2 32.96 5.92 2.7180 3 1 2 33.69 1.06 2.6610 1 1 3 34.04 3.46 2.6342 -2 4 2 34.90 4.13 2.5709 -3 3 3 35.19 16.32 2.5507 -1 3 3 36.04 27.84 2.4922 -6 2 2 36.12 1.41 2.4868 -4 4 1 36.25 27.97 2.4783 -6 2 1 36.46 17.44 2.4643 5 1 1 36.47 1.27 2.4640 1 5 0 36.67 1.38 2.4510 -4 0 4 36.72 2.15 2.4478 -3 1 4 37.13 1.54 2.4214 -1 5 1 37.39 8.28 2.4055 -4 4 2 37.65 3.08 2.3889 4 4 0 38.43 8.33 2.3425 -1 1 4 38.56 2.05 2.3345 1 5 1 38.76 1.74 2.3234 -5 3 3 39.05 11.21 2.3066 -7 1 2 39.05 3.41 2.3067 -5 1 4 39.19 2.33 2.2988 -2 2 4 39.54 3.34 2.2794 1 3 3 39.57 1.12 2.2775 -2 4 3 39.64 2.68 2.2735 2 2 3 39.70 1.69 2.2704 -3 5 1 39.93 7.37 2.2575 -7 1 1 40.03 1.71 2.2523 0 0 4 40.44 2.61 2.2302 -1 5 2 40.79 6.85 2.2123 -7 1 3 40.93 1.07 2.2050 -6 0 4 41.54 1.25 2.1740 -3 5 2 41.72 40.82 2.1648 0 4 3 41.98 1.39 2.1521 5 3 1 42.02 4.90 2.1499 3 1 3 43.09 3.99 2.0993 1 5 2 43.31 5.45 2.0891 7 1 0 43.52 14.15 2.0792 -6 2 4 43.78 2.50 2.0675 5 1 2 43.74 3.39 2.0695 -1 3 4 43.78 10.63 2.0676 1 1 4 44.06 17.08 2.0550 -8 0 2 44.29 1.61 2.0447 -5 3 4 44.41 9.75 2.0398 6 2 1 44.89 1.08 2.0189 -7 1 4 45.17 4.68 2.0072 -2 6 1 45.22 8.16 2.0048 2 6 0 45.70 4.90 1.9849 -5 5 1 45.93 5.23 1.9756 -1 5 3 46.14 2.58 1.9672 -3 1 5 46.14 3.18 1.9670 -5 5 2 46.90 1.53 1.9371 -5 1 5 46.94 1.75 1.9353 2 0 4 47.43 12.85 1.9166 -2 6 2 47.60 12.51 1.9102 2 6 1 48.18 2.07 1.8885 7 3 0 48.61 1.69 1.8726 1 3 4 48.75 4.71 1.8678 -1 1 5 48.80 4.13 1.8660 -2 2 5 49.49 1.78 1.8412 1 5 3 49.64 1.81 1.8362 -7 3 4 50.61 2.95 1.8032 -9 1 2 50.79 1.20 1.7971 -3 3 5 51.75 1.22 1.7660 -3 5 4 51.78 4.08 1.7652 -2 6 3 51.87 2.23 1.7623 3 1 4 52.04 7.76 1.7570 2 6 2 52.37 2.20 1.7465 5 1 3 52.87 1.50 1.7313 0 2 5 54.19 2.31 1.6922 -8 4 3 54.25 2.95 1.6904 -7 5 1 54.36 3.06 1.6873 1 1 5 54.59 1.99 1.6806 -8 4 1 54.59 6.29 1.6807 -4 4 5 54.93 2.83 1.6711 -7 5 3 55.19 2.45 1.6639 -4 0 6 55.27 3.60 1.6615 -7 3 5 55.39 4.39 1.6583 4 4 3 55.58 2.44 1.6529 -6 6 2 55.53 2.91 1.6545 -3 7 2 55.73 3.19 1.6489 -6 6 1 55.92 7.17 1.6438 3 5 3 56.18 2.57 1.6369 3 3 4 56.96 6.77 1.6161 7 5 0 57.26 1.38 1.6085 3 7 1 57.88 2.75 1.5926 -2 6 4 58.12 6.08 1.5867 -10 2 3 58.36 5.51 1.5807 -10 2 2 58.27 4.80 1.5829 -7 5 4 58.22 1.52 1.5842 2 6 3 58.36 1.75 1.5808 -6 2 6 58.44 4.30 1.5786 -7 1 6 58.94 6.26 1.5664 -3 7 3 59.18 1.89 1.5608 0 4 5 59.14 4.01 1.5617 0 8 0 59.31 3.07 1.5577 -3 5 5 59.59 4.83 1.5510 -1 1 6 59.65 1.71 1.5496 6 2 3 59.84 3.40 1.5452 -10 2 4 59.95 2.72 1.5425 -5 5 5 60.38 1.50 1.5325 -3 3 6 60.54 4.74 1.5288 -10 2 1 61.52 6.21 1.5068 7 5 1 61.72 22.56 1.5025 -8 4 5 61.76 10.61 1.5015 0 0 6 61.71 1.39 1.5027 3 7 2 62.52 1.41 1.4851 2 8 1 62.83 26.81 1.4786 8 4 1 62.97 1.76 1.4756 0 8 2 63.39 1.04 1.4669 -9 5 3 63.38 2.25 1.4669 -7 5 5 63.73 2.63 1.4599 -11 1 4 64.22 2.86 1.4499 7 1 3 64.22 4.22 1.4498 4 4 4 64.22 2.24 1.4498 3 5 4 64.34 1.60 1.4474 -8 6 3 65.50 2.80 1.4244 -9 5 4 65.46 1.28 1.4254 -2 6 5 65.86 2.94 1.4176 -11 1 1 65.70 1.24 1.4207 -7 7 2 65.86 1.22 1.4175 5 3 4 65.86 2.56 1.4176 2 6 4 66.31 2.28 1.4090 -7 7 1 66.71 2.26 1.4016 -11 1 5 66.92 1.53 1.3977 -8 6 4 67.24 3.76 1.3918 -7 1 7 67.23 2.77 1.3920 -4 8 3 67.63 4.22 1.3847 -6 2 7 67.58 2.20 1.3856 4 8 1 67.71 1.22 1.3833 7 5 2 67.77 2.28 1.3821 -5 5 6 67.77 8.43 1.3822 1 9 0 68.13 2.90 1.3758 9 5 0 68.13 2.43 1.3758 -3 5 6 68.20 4.16 1.3745 -1 9 1 68.99 2.15 1.3606 9 1 2 69.09 8.56 1.3590 6 2 4 69.15 3.12 1.3580 1 9 1 69.31 1.06 1.3552 1 3 6 69.39 8.21 1.3539 -9 5 5 70.17 1.26 1.3406 11 1 0 70.22 1.02 1.3398 -2 2 7 70.97 1.17 1.3275 -7 3 7 71.24 1.86 1.3231 -9 1 7 71.62 1.03 1.3171 -4 8 4 72.27 1.07 1.3067 1 9 2 73.21 3.61 1.2923 9 5 1 73.66 1.14 1.2855 -6 6 6 74.36 2.14 1.2751 -9 7 2 74.60 2.92 1.2715 -9 7 3 74.51 1.27 1.2729 -5 9 2 74.76 1.07 1.2693 -1 3 7 74.81 1.44 1.2685 2 6 5 75.52 1.46 1.2583 -10 2 7 75.61 1.08 1.2571 -12 0 6 75.85 1.52 1.2537 -9 7 1 76.40 2.16 1.2461 -12 4 4 76.58 1.38 1.2436 -9 7 4 76.59 5.48 1.2434 -8 8 2 76.90 2.62 1.2392 -12 4 2 76.82 2.41 1.2403 -5 1 8 77.42 1.75 1.2321 10 2 2 77.51 2.44 1.2310 9 1 3 77.39 1.09 1.2326 -2 10 1 78.30 2.61 1.2205 4 0 6 78.29 2.53 1.2206 4 8 3 78.91 1.35 1.2126 -4 2 8 81.05 2.17 1.1858 1 3 7 83.84 1.94 1.1534 -10 2 8 84.54 1.04 1.1455 -2 6 7 86.10 1.01 1.1287 10 2 3 85.99 2.19 1.1300 7 7 3 87.05 1.72 1.1188 -6 10 3 87.07 1.88 1.1186 -1 9 5 87.18 1.99 1.1175 1 7 6 87.52 1.07 1.1140 -2 4 8 87.42 1.03 1.1151 6 10 0 88.74 2.51 1.1018 -7 7 7 89.46 1.66 1.0948 -8 8 6 89.46 1.66 1.0948 -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.