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: Zo1, X(Fe/(Fe+Al-2)) = 0.035
_database_code_amcsd 0002856
CELL PARAMETERS: 16.1900 5.5511 10.0332 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 901.707
Density (g/cm3): 3.354
MAX. ABS. INTENSITY / VOLUME**2: 6.780369372
RIR: 0.658
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.93 17.89 8.0950 2 0 0 2
17.68 25.10 5.0166 0 0 2 2
18.52 2.39 4.7918 1 0 2 4
19.08 7.62 4.6524 1 1 1 8
20.83 3.17 4.2642 2 0 2 4
21.96 14.65 4.0475 4 0 0 2
23.70 7.86 3.7536 4 0 1 4
24.22 13.43 3.6743 3 0 2 4
24.54 1.28 3.6273 1 1 2 8
24.66 31.54 3.6103 3 1 1 8
28.33 12.21 3.1501 4 0 2 4
28.71 3.98 3.1094 4 1 1 8
28.89 10.78 3.0910 2 0 3 4
28.98 17.75 3.0815 5 0 1 4
31.22 100.00 2.8647 0 1 3 4
31.72 16.63 2.8208 1 1 3 8
32.25 42.51 2.7755 0 2 0 2
32.92 32.91 2.7205 5 0 2 4
33.17 10.27 2.7006 2 1 3 8
33.20 23.86 2.6983 6 0 0 2
33.25 72.52 2.6942 5 1 1 8
33.97 2.50 2.6393 1 2 1 8
34.15 18.77 2.6255 2 2 0 4
34.42 1.40 2.6057 6 0 1 4
35.48 23.15 2.5303 3 1 3 8
35.80 1.97 2.5083 0 0 4 2
36.24 5.21 2.4787 1 0 4 4
36.79 1.29 2.4429 5 1 2 8
37.02 8.53 2.4286 0 2 2 4
37.44 27.64 2.4017 1 2 2 8
37.54 4.51 2.3959 2 0 4 4
37.86 1.79 2.3764 6 0 2 4
38.15 5.84 2.3588 6 1 1 8
38.50 16.54 2.3383 4 1 3 8
38.71 27.11 2.3262 2 2 2 8
39.83 3.85 2.2633 1 1 4 8
40.00 5.01 2.2538 7 0 1 4
40.42 12.39 2.2317 4 2 1 8
40.74 4.65 2.2147 3 2 2 8
42.70 6.53 2.1175 1 2 3 8
42.97 3.01 2.1048 3 1 4 8
43.07 10.27 2.1000 6 0 3 4
43.84 26.42 2.0652 2 2 3 8
43.90 23.37 2.0623 5 2 1 8
44.78 14.71 2.0238 8 0 0 2
45.58 1.98 1.9903 4 1 4 8
45.68 2.03 1.9860 3 2 3 8
45.74 4.92 1.9838 8 0 1 4
45.76 8.66 1.9829 5 0 4 4
46.21 4.01 1.9645 7 1 2 8
46.63 6.18 1.9477 2 0 5 4
46.76 13.65 1.9429 5 2 2 8
47.84 3.32 1.9013 8 1 0 4
48.39 1.14 1.8808 3 0 5 4
48.51 4.49 1.8768 8 0 2 4
48.77 4.15 1.8674 5 1 4 8
48.95 1.35 1.8610 0 2 4 4
49.29 25.62 1.8488 1 2 4 8
49.60 4.08 1.8378 2 1 5 8
50.31 1.40 1.8137 2 2 4 8
51.98 2.31 1.7593 3 2 4 8
52.46 2.01 1.7441 6 1 4 8
53.11 3.87 1.7243 3 3 1 8
53.58 5.37 1.7104 4 1 5 8
54.16 2.38 1.6933 9 0 2 4
54.25 1.14 1.6908 4 2 4 8
54.39 7.88 1.6869 9 1 1 8
54.81 5.57 1.6749 7 2 2 8
54.82 1.07 1.6747 6 2 3 8
54.91 2.18 1.6722 0 0 6 2
55.22 3.62 1.6634 1 0 6 4
56.26 3.94 1.6352 8 2 0 4
56.44 7.85 1.6304 5 1 5 8
56.85 9.43 1.6196 9 1 2 8
56.87 13.15 1.6191 0 3 3 4
57.08 27.56 1.6135 5 2 4 8
57.18 3.61 1.6110 1 3 3 8
57.21 2.17 1.6102 6 0 5 4
57.72 18.60 1.5973 3 0 6 4
58.10 1.71 1.5876 2 3 3 8
58.15 11.20 1.5863 5 3 1 8
59.45 2.22 1.5547 8 2 2 8
59.47 7.11 1.5542 10 1 0 4
59.62 4.00 1.5508 3 3 3 8
59.80 3.12 1.5465 6 1 5 8
59.84 6.49 1.5455 4 0 6 4
60.25 7.12 1.5359 10 1 1 8
61.17 1.20 1.5152 8 1 4 8
61.46 1.27 1.5087 6 3 1 8
61.70 3.44 1.5033 4 3 3 8
62.19 1.41 1.4928 9 2 1 8
63.64 2.64 1.4622 7 1 5 8
63.66 5.40 1.4618 9 0 4 4
63.88 2.74 1.4572 10 0 3 4
64.08 1.11 1.4532 5 2 5 8
64.24 16.68 1.4499 7 2 4 8
64.46 5.61 1.4455 9 2 2 8
65.13 2.64 1.4323 0 2 6 4
65.41 10.52 1.4268 1 2 6 8
66.17 1.95 1.4123 11 0 2 4
66.27 1.17 1.4104 2 2 6 8
66.91 1.39 1.3985 10 2 0 4
67.49 1.18 1.3878 0 1 7 4
67.49 26.63 1.3878 0 4 0 2
67.68 2.17 1.3844 3 2 6 8
67.91 1.04 1.3802 8 1 5 8
68.61 1.58 1.3678 2 1 7 8
69.48 1.55 1.3528 5 3 4 8
69.82 16.85 1.3471 10 2 2 8
70.15 1.14 1.3415 2 3 5 8
70.28 1.53 1.3395 9 0 5 4
72.11 2.38 1.3099 5 2 6 8
73.38 10.34 1.2902 10 2 3 8
73.43 2.69 1.2895 11 2 1 8
73.44 1.43 1.2894 4 3 5 8
74.11 2.58 1.2793 9 3 1 8
74.37 2.05 1.2756 5 1 7 8
74.75 1.02 1.2700 4 4 2 8
74.78 1.33 1.2696 1 2 7 8
74.79 1.25 1.2694 11 0 4 4
74.91 6.08 1.2676 8 2 5 8
75.07 1.50 1.2654 5 4 1 8
75.09 1.28 1.2651 6 2 6 8
75.44 1.26 1.2600 10 0 5 4
75.86 2.85 1.2542 0 0 8 2
75.86 2.30 1.2541 5 3 5 8
76.21 3.72 1.2492 9 3 2 8
76.93 2.47 1.2394 2 0 8 4
77.16 4.91 1.2362 5 4 2 8
77.31 2.14 1.2341 6 1 7 8
77.32 2.97 1.2341 6 4 0 4
78.27 1.68 1.2215 10 2 4 8
78.50 2.78 1.2184 10 3 0 4
78.56 1.10 1.2177 7 2 6 8
78.79 1.57 1.2147 6 3 5 8
79.00 1.80 1.2119 11 2 3 8
79.19 3.63 1.2096 10 3 1 8
79.44 3.03 1.2063 9 2 5 8
80.08 1.06 1.1984 6 4 2 8
80.76 1.33 1.1900 7 1 7 8
81.16 4.94 1.1852 5 2 7 8
82.22 1.16 1.1725 7 3 5 8
83.49 1.25 1.1578 6 4 3 8
84.04 1.16 1.1517 6 2 7 8
84.69 2.51 1.1445 8 4 0 4
84.84 1.02 1.1429 0 2 8 4
85.25 1.36 1.1384 10 1 6 8
85.38 1.60 1.1370 5 4 4 8
85.84 3.19 1.1321 14 1 0 4
86.02 1.10 1.1302 2 4 5 8
87.40 1.12 1.1158 8 4 2 8
87.57 1.66 1.1142 6 1 8 8
89.00 3.32 1.0999 4 2 8 8
89.11 2.31 1.0988 9 1 7 8
89.72 1.06 1.0929 14 0 3 4
89.97 2.64 1.0905 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.