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 = 15 K
Locality: San Benito, California, USA
_database_code_amcsd 0007530
CELL PARAMETERS: 16.4360 12.4360 9.9660 90.000 115.630 90.000
SPACE GROUP: Cc
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1836.600
Density (g/cm3): 3.284
MAX. ABS. INTENSITY / VOLUME**2: 7.540306809
RIR: 0.748
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.28 100.00 9.5260 1 1 0 2
11.51 40.61 7.6904 -1 1 1 2
15.32 13.57 5.7829 1 1 1 2
17.82 1.22 4.9786 -3 1 1 2
18.50 3.96 4.7962 -2 2 1 2
18.63 3.86 4.7630 2 2 0 2
19.36 7.38 4.5850 -1 1 2 2
19.76 30.79 4.4927 0 0 2 1
22.27 3.17 3.9921 1 3 0 2
23.13 4.55 3.8452 -2 2 2 2
23.30 20.89 3.8170 -1 3 1 2
23.45 1.66 3.7943 2 2 1 2
23.61 1.97 3.7682 -4 0 2 1
24.02 5.47 3.7047 4 0 0 1
25.45 64.68 3.5000 1 3 1 2
27.06 27.25 3.2956 -3 3 1 2
28.04 1.01 3.1826 4 2 0 2
28.10 37.85 3.1753 3 3 0 2
28.12 52.23 3.1734 -1 3 2 2
28.25 4.56 3.1589 -5 1 1 2
28.65 1.51 3.1159 -1 1 3 2
28.92 28.75 3.0878 -5 1 2 2
29.59 15.09 3.0187 -3 3 2 2
30.42 7.15 2.9381 0 4 1 2
30.52 61.91 2.9289 -2 2 3 2
30.93 35.69 2.8914 2 2 2 2
31.02 31.07 2.8830 5 1 0 2
31.67 47.25 2.8252 1 3 2 2
32.41 11.71 2.7623 3 3 1 2
32.82 30.26 2.7285 -5 1 3 2
32.97 1.60 2.7165 -6 0 2 1
33.03 5.96 2.7119 3 1 2 2
33.77 1.06 2.6539 1 1 3 2
34.17 3.45 2.6241 -2 4 2 2
35.00 4.15 2.5635 -3 3 3 2
35.31 16.28 2.5422 -1 3 3 2
36.08 27.84 2.4893 -6 2 2 2
36.24 1.39 2.4791 -4 4 1 2
36.29 27.96 2.4753 -6 2 1 2
36.52 17.44 2.4605 5 1 1 2
36.64 1.27 2.4529 1 5 0 2
36.74 1.38 2.4465 -4 0 4 1
36.80 2.16 2.4422 -3 1 4 2
37.30 1.55 2.4106 -1 5 1 2
37.50 8.27 2.3981 -4 4 2 2
37.77 3.09 2.3815 4 4 0 2
38.53 8.31 2.3363 -1 1 4 2
38.74 2.03 2.3244 1 5 1 2
38.84 1.74 2.3184 -5 3 3 2
39.08 11.18 2.3052 -7 1 2 2
39.11 3.38 2.3030 -5 1 4 2
39.30 2.34 2.2925 -2 2 4 2
39.67 3.33 2.2721 1 3 3 2
39.72 1.11 2.2694 -2 4 3 2
39.76 2.69 2.2673 2 2 3 2
39.86 1.67 2.2615 -3 5 1 2
39.97 7.38 2.2558 -7 1 1 2
40.14 1.70 2.2464 0 0 4 1
40.62 2.61 2.2208 -1 5 2 2
40.82 6.84 2.2106 -7 1 3 2
40.98 1.06 2.2023 -6 0 4 1
41.70 1.25 2.1658 -3 5 2 2
41.88 40.76 2.1570 0 4 3 2
42.08 1.40 2.1471 5 3 1 2
42.13 4.89 2.1447 3 1 3 2
43.27 3.99 2.0909 1 5 2 2
43.36 5.43 2.0869 7 1 0 2
43.60 14.11 2.0759 -6 2 4 2
43.87 2.49 2.0636 5 1 2 2
43.88 3.40 2.0631 -1 3 4 2
43.91 10.58 2.0620 1 1 4 2
44.09 17.04 2.0540 -8 0 2 1
44.41 1.63 2.0401 -5 3 4 2
44.49 9.74 2.0363 6 2 1 2
44.95 1.09 2.0168 -7 1 4 2
45.38 4.67 1.9985 -2 6 1 2
45.44 8.16 1.9960 2 6 0 2
45.86 4.94 1.9788 -5 5 1 2
46.12 5.20 1.9680 -1 5 3 2
46.26 2.58 1.9625 -3 1 5 2
46.30 3.18 1.9609 -5 5 2 2
47.00 1.53 1.9334 -5 1 5 2
47.08 1.76 1.9304 2 0 4 1
47.65 12.84 1.9085 -2 6 2 2
47.82 12.46 1.9022 2 6 1 2
48.27 2.06 1.8853 7 3 0 2
48.78 1.68 1.8669 1 3 4 2
48.89 4.71 1.8628 -1 1 5 2
48.95 4.12 1.8610 -2 2 5 2
49.70 1.77 1.8344 1 5 3 2
49.74 1.81 1.8331 -7 3 4 2
50.65 2.92 1.8021 -9 1 2 2
50.96 1.19 1.7921 -3 3 5 2
51.96 1.22 1.7600 -3 5 4 2
52.01 4.05 1.7582 -2 6 3 2
52.02 2.24 1.7579 3 1 4 2
52.27 7.76 1.7500 2 6 2 2
52.51 2.19 1.7428 5 1 3 2
53.04 1.49 1.7264 0 2 5 2
54.31 2.30 1.6892 -8 4 3 2
54.41 2.95 1.6862 -7 5 1 2
54.53 3.05 1.6828 1 1 5 2
54.71 1.98 1.6776 -8 4 1 2
54.77 6.26 1.6760 -4 4 5 2
55.09 2.80 1.6671 -7 5 3 2
55.34 2.44 1.6602 -4 0 6 1
55.40 3.61 1.6585 -7 3 5 2
55.58 4.36 1.6535 4 4 3 2
55.79 2.44 1.6478 -6 6 2 2
55.80 2.89 1.6476 -3 7 2 2
55.94 3.19 1.6437 -6 6 1 2
56.14 7.14 1.6383 3 5 3 2
56.37 2.56 1.6323 3 3 4 2
57.14 6.78 1.6121 7 5 0 2
57.53 1.37 1.6019 3 7 1 2
58.14 2.76 1.5867 -2 6 4 2
58.19 6.08 1.5855 -10 2 3 2
58.43 5.50 1.5795 -10 2 2 2
58.45 4.81 1.5791 -7 5 4 2
58.48 1.53 1.5783 2 6 3 2
58.51 1.74 1.5776 -6 2 6 2
58.57 4.27 1.5760 -7 1 6 2
59.22 6.24 1.5602 -3 7 3 2
59.40 1.88 1.5559 0 4 5 2
59.46 3.99 1.5545 0 8 0 2
59.54 3.05 1.5526 -3 5 5 2
59.79 4.80 1.5469 -1 1 6 2
59.81 1.70 1.5463 6 2 3 2
59.91 3.38 1.5439 -10 2 4 2
60.16 2.70 1.5381 -5 5 5 2
60.59 1.49 1.5283 -3 3 6 2
60.63 4.72 1.5274 -10 2 1 2
61.72 6.17 1.5030 7 5 1 2
61.87 22.51 1.4996 -8 4 5 2
61.97 10.60 1.4976 0 0 6 1
62.00 1.38 1.4968 3 7 2 2
62.85 1.40 1.4786 2 8 1 2
62.99 26.75 1.4756 8 4 1 2
63.31 1.76 1.4690 0 8 2 2
63.55 1.04 1.4640 -9 5 3 2
63.58 2.25 1.4633 -7 5 5 2
63.79 2.61 1.4590 -11 1 4 2
64.38 2.86 1.4471 7 1 3 2
64.45 4.23 1.4457 4 4 4 2
64.47 2.25 1.4452 3 5 4 2
64.55 1.58 1.4437 -8 6 3 2
65.68 2.80 1.4216 -9 5 4 2
65.74 1.27 1.4204 -2 6 5 2
65.95 2.93 1.4165 -11 1 1 2
65.96 1.23 1.4163 -7 7 2 2
66.08 1.21 1.4140 5 3 4 2
66.15 2.56 1.4126 2 6 4 2
66.58 2.28 1.4046 -7 7 1 2
66.79 2.25 1.4006 -11 1 5 2
67.14 1.53 1.3942 -8 6 4 2
67.41 3.75 1.3892 -7 1 7 2
67.56 2.77 1.3865 -4 8 3 2
67.83 4.21 1.3817 -6 2 7 2
67.92 2.20 1.3800 4 8 1 2
67.94 1.22 1.3797 7 5 2 2
68.02 2.29 1.3782 -5 5 6 2
68.16 8.39 1.3758 1 9 0 2
68.32 2.90 1.3729 9 5 0 2
68.40 2.43 1.3716 -3 5 6 2
68.59 4.16 1.3682 -1 9 1 2
69.15 2.13 1.3585 9 1 2 2
69.30 8.52 1.3559 6 2 4 2
69.54 3.13 1.3519 1 9 1 2
69.57 1.06 1.3513 1 3 6 2
69.58 8.16 1.3511 -9 5 5 2
70.28 1.24 1.3393 11 1 0 2
70.47 1.01 1.3363 -2 2 7 2
71.18 1.16 1.3247 -7 3 7 2
71.40 1.86 1.3212 -9 1 7 2
71.97 1.02 1.3120 -4 8 4 2
72.68 1.08 1.3010 1 9 2 2
73.43 3.60 1.2895 9 5 1 2
73.95 1.14 1.2817 -6 6 6 2
74.63 2.13 1.2718 -9 7 2 2
74.87 2.92 1.2682 -9 7 3 2
74.90 1.26 1.2678 -5 9 2 2
75.04 1.06 1.2657 -1 3 7 2
75.14 1.42 1.2643 2 6 5 2
75.69 1.45 1.2565 -10 2 7 2
75.72 1.08 1.2561 -12 0 6 1
76.13 1.50 1.2504 -9 7 1 2
76.54 2.17 1.2447 -12 4 4 2
76.85 1.38 1.2404 -9 7 4 2
76.92 5.45 1.2395 -8 8 2 2
77.05 2.62 1.2377 -12 4 2 2
77.07 2.39 1.2374 -5 1 8 2
77.61 1.74 1.2302 10 2 2 2
77.71 2.43 1.2289 9 1 3 2
77.85 1.09 1.2270 -2 10 1 2
78.58 2.59 1.2174 4 0 6 1
78.68 2.52 1.2161 4 8 3 2
79.19 1.36 1.2096 -4 2 8 2
81.37 2.16 1.1825 1 3 7 2
84.05 1.92 1.1515 -10 2 8 2
84.93 1.03 1.1419 -2 6 7 2
86.34 1.00 1.1268 10 2 3 2
86.36 2.18 1.1266 7 7 3 2
87.53 1.72 1.1145 -6 10 3 2
87.56 1.88 1.1142 -1 9 5 2
87.61 1.99 1.1137 1 7 6 2
87.90 1.07 1.1108 -2 4 8 2
87.90 1.02 1.1107 6 10 0 2
89.13 2.49 1.0986 -7 7 7 2
89.86 1.65 1.0915 -8 8 6 2
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.