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 = 493 K Locality: San Benito, California, USA _database_code_amcsd 0007533 CELL PARAMETERS: 16.4260 12.5320 9.9950 90.000 115.510 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 1856.894 Density (g/cm3): 3.248 MAX. ABS. INTENSITY / VOLUME**2: 7.721793953 RIR: 0.774 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.24 100.00 9.5705 1 1 0 2 11.46 39.75 7.7230 -1 1 1 2 15.26 12.86 5.8077 1 1 1 2 17.80 1.02 4.9822 -3 1 1 2 18.41 4.22 4.8181 -2 2 1 2 18.54 4.50 4.7853 2 2 0 2 19.28 6.83 4.6032 -1 1 2 2 19.68 30.84 4.5103 0 0 2 1 22.11 3.04 4.0208 1 3 0 2 23.03 3.90 3.8615 -2 2 2 2 23.14 20.02 3.8432 -1 3 1 2 23.34 1.15 3.8113 2 2 1 2 23.61 2.00 3.7680 -4 0 2 1 24.01 5.42 3.7062 4 0 0 1 25.28 60.39 3.5226 1 3 1 2 26.93 24.33 3.3109 -3 3 1 2 27.95 49.97 3.1922 -1 3 2 2 27.97 35.73 3.1902 3 3 0 2 28.25 4.08 3.1590 -5 1 1 2 28.54 1.14 3.1281 -1 1 3 2 28.91 25.77 3.0880 -5 1 2 2 29.46 12.31 3.0321 -3 3 2 2 30.20 5.94 2.9596 0 4 1 2 30.39 54.68 2.9408 -2 2 3 2 30.79 29.18 2.9038 2 2 2 2 30.99 26.93 2.8853 5 1 0 2 31.49 44.76 2.8410 1 3 2 2 32.26 10.14 2.7749 3 3 1 2 32.80 26.83 2.7307 -5 1 3 2 32.92 5.52 2.7204 3 1 2 2 32.99 1.59 2.7149 -6 0 2 1 33.63 1.01 2.6646 1 1 3 2 33.96 2.96 2.6401 -2 4 2 2 34.85 3.72 2.5743 -3 3 3 2 35.12 15.38 2.5554 -1 3 3 2 36.05 23.61 2.4911 -6 2 2 2 36.06 1.38 2.4906 -4 4 1 2 36.26 24.51 2.4775 -6 2 1 2 36.45 14.72 2.4647 5 1 1 2 36.66 1.04 2.4516 -4 0 4 1 36.69 2.16 2.4496 -3 1 4 2 37.02 1.15 2.4283 -1 5 1 2 37.33 7.21 2.4090 -4 4 2 2 37.59 2.89 2.3926 4 4 0 2 38.38 6.66 2.3454 -1 1 4 2 38.45 1.30 2.3411 1 5 1 2 38.74 1.50 2.3246 -5 3 3 2 39.05 2.53 2.3067 -5 1 4 2 39.09 10.10 2.3044 -7 1 2 2 39.14 1.62 2.3016 -2 2 4 2 39.46 3.68 2.2835 1 3 3 2 39.58 1.65 2.2767 2 2 3 2 39.60 1.24 2.2757 -3 5 1 2 39.97 6.85 2.2557 -7 1 1 2 39.98 1.31 2.2551 0 0 4 1 40.34 1.99 2.2360 -1 5 2 2 40.82 5.98 2.2104 -7 1 3 2 41.63 33.05 2.1694 0 4 3 2 41.95 1.18 2.1539 5 3 1 2 41.98 4.12 2.1522 3 1 3 2 42.98 3.29 2.1046 1 5 2 2 43.33 4.24 2.0882 7 1 0 2 43.53 11.37 2.0792 -6 2 4 2 43.67 3.73 2.0729 -1 3 4 2 43.72 8.13 2.0703 1 1 4 2 43.76 2.05 2.0686 5 1 2 2 44.12 12.05 2.0528 -8 0 2 1 44.27 1.35 2.0461 -5 3 4 2 44.40 7.76 2.0403 6 2 1 2 44.92 1.02 2.0178 -7 1 4 2 45.04 3.56 2.0128 -2 6 1 2 45.10 6.72 2.0104 2 6 0 2 45.63 4.48 1.9880 -5 5 1 2 45.82 4.00 1.9802 -1 5 3 2 46.08 2.73 1.9699 -5 5 2 2 46.10 2.54 1.9690 -3 1 5 2 46.89 1.51 1.9377 -5 1 5 2 46.89 1.81 1.9376 2 0 4 1 47.31 11.31 1.9216 -2 6 2 2 47.47 10.80 1.9153 2 6 1 2 48.17 1.56 1.8889 7 3 0 2 48.54 1.41 1.8756 1 3 4 2 48.69 3.86 1.8701 -1 1 5 2 48.74 3.65 1.8683 -2 2 5 2 49.39 1.44 1.8453 1 5 3 2 49.65 1.59 1.8363 -7 3 4 2 50.68 2.26 1.8014 -9 1 2 2 51.66 2.89 1.7695 -2 6 3 2 51.66 1.13 1.7692 -3 5 4 2 51.82 2.03 1.7643 3 1 4 2 51.91 6.63 1.7613 2 6 2 2 52.34 1.68 1.7478 5 1 3 2 52.80 1.08 1.7337 0 2 5 2 54.19 2.07 1.6925 -8 4 3 2 54.21 2.33 1.6919 -7 5 1 2 54.30 2.34 1.6894 1 1 5 2 54.53 4.73 1.6829 -4 4 5 2 54.59 1.77 1.6811 -8 4 1 2 54.89 1.90 1.6725 -7 5 3 2 55.16 1.75 1.6652 -4 0 6 1 55.28 2.67 1.6619 -7 3 5 2 55.32 3.34 1.6607 4 4 3 2 55.39 2.19 1.6587 -3 7 2 2 55.51 1.62 1.6554 -6 6 2 2 55.66 2.13 1.6514 -6 6 1 2 55.82 5.28 1.6469 3 5 3 2 56.11 2.04 1.6392 3 3 4 2 56.92 5.32 1.6177 7 5 0 2 57.12 1.05 1.6126 3 7 1 2 57.76 1.98 1.5961 -2 6 4 2 58.10 1.12 1.5877 2 6 3 2 58.19 4.65 1.5854 -10 2 3 2 58.24 3.91 1.5843 -7 5 4 2 58.35 1.48 1.5815 -6 2 6 2 58.43 4.14 1.5795 -10 2 2 2 58.46 2.74 1.5787 -7 1 6 2 58.81 4.97 1.5702 -3 7 3 2 58.96 2.32 1.5665 0 8 0 2 59.09 1.33 1.5634 0 4 5 2 59.22 2.31 1.5603 -3 5 5 2 59.53 3.72 1.5529 -1 1 6 2 59.62 1.42 1.5508 6 2 3 2 59.88 1.85 1.5446 -5 5 5 2 59.91 2.61 1.5440 -10 2 4 2 60.61 3.80 1.5279 -10 2 1 2 61.47 4.67 1.5084 7 5 1 2 61.57 1.04 1.5063 3 7 2 2 61.70 7.63 1.5034 0 0 6 1 61.72 15.40 1.5030 -8 4 5 2 62.79 1.44 1.4798 0 8 2 2 62.81 18.20 1.4794 8 4 1 2 63.35 1.92 1.4681 -7 5 5 2 63.82 1.68 1.4584 -11 1 4 2 64.12 1.43 1.4524 3 5 4 2 64.14 3.58 1.4519 4 4 4 2 64.20 1.83 1.4507 7 1 3 2 64.30 1.01 1.4487 -8 6 3 2 65.34 1.03 1.4282 -2 6 5 2 65.51 2.14 1.4249 -9 5 4 2 65.61 1.05 1.4229 -7 7 2 2 65.74 2.43 1.4205 2 6 4 2 65.95 2.12 1.4165 -11 1 1 2 66.23 1.80 1.4112 -7 7 1 2 66.80 1.67 1.4004 -11 1 5 2 66.88 1.16 1.3990 -8 6 4 2 67.08 2.05 1.3953 -4 8 3 2 67.25 2.50 1.3923 -7 1 7 2 67.43 1.69 1.3889 4 8 1 2 67.57 6.05 1.3863 1 9 0 2 67.62 3.08 1.3855 -6 2 7 2 67.66 1.01 1.3848 7 5 2 2 67.70 1.69 1.3839 -5 5 6 2 68.00 3.33 1.3786 -1 9 1 2 68.03 1.85 1.3780 -3 5 6 2 68.12 2.44 1.3765 9 5 0 2 68.94 2.33 1.3620 1 9 1 2 69.02 1.26 1.3608 9 1 2 2 69.05 5.91 1.3602 6 2 4 2 69.39 5.60 1.3544 -9 5 5 2 71.28 1.32 1.3230 -9 1 7 2 73.19 2.58 1.2931 9 5 1 2 74.31 1.64 1.2764 -9 7 2 2 74.56 2.29 1.2728 -9 7 3 2 76.48 1.82 1.2456 -12 4 4 2 76.49 3.64 1.2453 -8 8 2 2 76.79 1.36 1.2413 -5 1 8 2 76.97 1.98 1.2387 -12 4 2 2 77.45 1.15 1.2323 10 2 2 2 77.52 1.61 1.2314 9 1 3 2 78.13 1.55 1.2233 4 8 3 2 78.24 1.74 1.2219 4 0 6 1 78.85 1.14 1.2139 -4 2 8 2 80.96 1.20 1.1875 1 3 7 2 83.89 1.19 1.1534 -10 2 8 2 85.88 1.39 1.1317 7 7 3 2 86.86 1.30 1.1214 -6 10 3 2 86.87 1.11 1.1213 -1 9 5 2 87.02 1.13 1.1197 1 7 6 2 88.65 1.32 1.1033 -7 7 7 2 89.36 1.18 1.0963 -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.