Zoisite
Liebscher A, Gottschalk M, Franz G
American Mineralogist 87 (2002) 909-921
The substitution Fe-Al and the isosymmetric displacive phase transition
in synthetic zoisite: A powder X-ray and infrared spectroscopic study
Sample: Zo4, X(Fe/(Fe+Al-2)) = 0.096
_database_code_amcsd 0002858
CELL PARAMETERS: 16.1983 5.5564 10.0376 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 903.426
Density (g/cm3): 3.360
MAX. ABS. INTENSITY / VOLUME**2: 6.535814118
RIR: 0.633
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.92 19.72 8.0991 2 0 0 2
17.67 27.34 5.0188 0 0 2 2
18.51 2.66 4.7940 1 0 2 4
19.06 7.61 4.6561 1 1 1 8
20.82 4.04 4.2661 2 0 2 4
21.95 16.15 4.0496 4 0 0 2
23.69 8.72 3.7555 4 0 1 4
24.21 14.15 3.6760 3 0 2 4
24.53 1.48 3.6297 1 1 2 8
24.64 33.92 3.6128 3 1 1 8
28.32 13.19 3.1516 4 0 2 4
28.69 6.02 3.1114 4 1 1 8
28.87 9.71 3.0924 2 0 3 4
28.96 18.85 3.0831 5 0 1 4
29.13 1.01 3.0658 3 1 2 8
31.20 100.00 2.8663 0 1 3 4
31.70 17.81 2.8225 1 1 3 8
32.22 45.39 2.7782 0 2 0 2
32.67 1.05 2.7413 4 1 2 8
32.91 33.85 2.7218 5 0 2 4
33.15 10.29 2.7021 2 1 3 8
33.18 22.54 2.6997 6 0 0 2
33.23 75.85 2.6959 5 1 1 8
33.93 2.32 2.6417 1 2 1 8
34.12 19.74 2.6279 2 2 0 4
34.40 2.36 2.6071 6 0 1 4
35.46 20.61 2.5317 3 1 3 8
35.78 1.50 2.5094 0 0 4 2
36.22 5.22 2.4798 1 0 4 4
36.77 1.82 2.4443 5 1 2 8
36.98 8.24 2.4306 0 2 2 4
37.41 28.29 2.4037 1 2 2 8
37.52 4.43 2.3970 2 0 4 4
37.84 1.70 2.3776 6 0 2 4
38.13 6.65 2.3602 6 1 1 8
38.48 18.51 2.3396 4 1 3 8
38.68 28.80 2.3281 2 2 2 8
39.81 4.20 2.2645 1 1 4 8
39.98 5.70 2.2549 7 0 1 4
40.38 13.60 2.2335 4 2 1 8
40.71 4.72 2.2164 3 2 2 8
41.01 1.21 2.2009 2 1 4 8
42.67 7.56 2.1190 1 2 3 8
42.95 3.34 2.1059 3 1 4 8
43.05 10.08 2.1011 6 0 3 4
43.80 27.27 2.0667 2 2 3 8
43.87 25.76 2.0639 5 2 1 8
44.76 14.41 2.0248 8 0 0 2
45.55 1.62 1.9914 4 1 4 8
45.65 2.20 1.9874 3 2 3 8
45.71 5.31 1.9848 8 0 1 4
45.73 8.19 1.9839 5 0 4 4
46.18 4.69 1.9656 7 1 2 8
46.61 5.94 1.9486 2 0 5 4
46.72 14.49 1.9443 5 2 2 8
47.79 1.16 1.9032 7 0 3 4
47.81 3.10 1.9024 8 1 0 4
48.37 1.83 1.8817 3 0 5 4
48.48 5.18 1.8777 8 0 2 4
48.74 4.70 1.8683 5 1 4 8
48.91 1.62 1.8622 0 2 4 4
49.25 27.52 1.8500 1 2 4 8
49.58 3.93 1.8388 2 1 5 8
50.27 1.29 1.8149 2 2 4 8
51.20 1.24 1.7841 5 2 3 8
51.94 1.89 1.7605 3 2 4 8
52.44 2.14 1.7450 6 1 4 8
53.06 4.09 1.7258 3 3 1 8
53.55 5.59 1.7112 4 1 5 8
54.14 2.56 1.6942 9 0 2 4
54.35 8.06 1.6878 9 1 1 8
54.77 5.99 1.6760 7 2 2 8
54.88 2.44 1.6729 0 0 6 2
55.20 3.90 1.6641 1 0 6 4
56.22 3.86 1.6363 8 2 0 4
56.41 9.01 1.6313 5 1 5 8
56.81 10.96 1.6205 9 1 2 8
56.82 14.21 1.6204 0 3 3 4
57.04 27.11 1.6145 5 2 4 8
57.13 4.70 1.6124 1 3 3 8
57.18 1.95 1.6109 6 0 5 4
57.69 17.99 1.5980 3 0 6 4
57.84 1.12 1.5941 1 1 6 8
58.05 1.84 1.5889 2 3 3 8
58.10 10.94 1.5877 5 3 1 8
59.32 1.17 1.5580 3 2 5 8
59.41 1.84 1.5557 8 2 2 8
59.44 7.87 1.5551 10 1 0 4
59.57 4.00 1.5520 3 3 3 8
59.77 3.15 1.5472 6 1 5 8
59.81 6.48 1.5462 4 0 6 4
60.22 6.40 1.5368 10 1 1 8
60.46 1.20 1.5312 5 3 2 8
61.13 1.15 1.5160 8 1 4 8
61.40 1.46 1.5099 6 3 1 8
61.41 1.17 1.5098 4 2 5 8
61.65 4.49 1.5045 4 3 3 8
62.14 1.46 1.4937 9 2 1 8
63.60 2.77 1.4629 7 1 5 8
63.62 6.12 1.4625 9 0 4 4
63.84 3.39 1.4580 10 0 3 4
64.04 1.61 1.4541 5 2 5 8
64.20 17.95 1.4508 7 2 4 8
64.41 5.69 1.4464 9 2 2 8
65.08 3.22 1.4332 0 2 6 4
65.37 10.87 1.4276 1 2 6 8
66.13 1.64 1.4130 11 0 2 4
66.22 1.01 1.4112 2 2 6 8
66.86 1.79 1.3993 10 2 0 4
67.40 1.36 1.3895 7 3 2 8
67.42 27.68 1.3891 0 4 0 2
67.45 1.26 1.3885 0 1 7 4
67.63 1.44 1.3852 3 2 6 8
67.87 1.07 1.3809 8 1 5 8
68.11 1.08 1.3767 9 2 3 8
68.52 1.14 1.3694 11 1 2 8
68.57 1.25 1.3685 2 1 7 8
69.42 1.44 1.3538 5 3 4 8
69.77 17.43 1.3479 10 2 2 8
70.10 1.04 1.3424 2 3 5 8
70.24 1.77 1.3401 9 0 5 4
72.06 2.25 1.3106 5 2 6 8
72.44 1.11 1.3046 6 3 4 8
73.33 10.78 1.2910 10 2 3 8
73.38 1.30 1.2903 4 3 5 8
73.38 2.95 1.2903 11 2 1 8
74.05 2.26 1.2802 9 3 1 8
74.33 2.07 1.2762 5 1 7 8
74.67 1.14 1.2711 4 4 2 8
74.73 1.67 1.2703 1 2 7 8
74.75 1.49 1.2700 11 0 4 4
74.86 6.50 1.2684 8 2 5 8
74.99 1.53 1.2665 5 4 1 8
75.04 1.74 1.2659 6 2 6 8
75.40 1.34 1.2606 10 0 5 4
75.80 2.52 1.2550 5 3 5 8
75.82 3.32 1.2547 0 0 8 2
76.15 4.26 1.2501 9 3 2 8
76.89 2.24 1.2399 2 0 8 4
77.08 5.17 1.2373 5 4 2 8
77.24 2.91 1.2352 6 4 0 4
77.27 2.25 1.2347 6 1 7 8
78.22 1.48 1.2222 10 2 4 8
78.43 2.80 1.2193 10 3 0 4
78.50 1.04 1.2184 7 2 6 8
78.73 1.44 1.2155 6 3 5 8
78.95 1.84 1.2126 11 2 3 8
79.12 3.54 1.2104 10 3 1 8
79.39 3.25 1.2070 9 2 5 8
80.00 1.05 1.1994 6 4 2 8
80.71 1.46 1.1906 7 1 7 8
81.10 5.30 1.1858 5 2 7 8
82.15 1.33 1.1733 7 3 5 8
83.41 1.20 1.1587 6 4 3 8
83.98 1.22 1.1523 6 2 7 8
84.60 2.44 1.1455 8 4 0 4
84.78 1.17 1.1435 0 2 8 4
84.98 1.23 1.1413 12 2 3 8
85.19 1.62 1.1390 10 1 6 8
85.30 1.50 1.1379 5 4 4 8
85.78 3.73 1.1327 14 1 0 4
87.31 1.26 1.1167 8 4 2 8
87.51 1.96 1.1147 6 1 8 8
88.94 3.28 1.1005 4 2 8 8
89.06 2.67 1.0993 9 1 7 8
89.66 1.44 1.0935 14 0 3 4
89.92 2.59 1.0910 1 1 9 8
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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.