Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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ZOISITE
4, t-zoisite, f-epidote
Ca(2)Al(3)[Si(3)O(12)]OH
Orthorhombic P nma Z = 4
Pnma
25 .9 .1901
Ref.Str.:
B. Wincler, V. Milman, R.H. Nobes (2001)
* Phys. Chem. Minerals, 28, 471-474
Reserv:
A theoretical investigation. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.0271 alpha = 90.0
b = 5.5323 beta = 90.0
c = 10.0317 gamma = 90.0
Unit cell volume (cub. angs.) = 889.48
Molar volume ( cub.cm/mol.) = 133.94
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3674 0.25 0.4373 0.0 Ca = 1.00
2 0.4504 0.25 0.1197 0.0 Ca = 1.00
3 0.0834 0.25 0.1037 0.0 Si = 1.00
4 0.4118 0.75 0.2854 0.0 Si = 1.00
5 0.1607 0.25 0.4333 0.0 Si = 1.00
6 0.2505 0.9967 0.1896 0.0 Al = 1.00
7 0.1065 0.75 0.3026 0.0 Al = 1.00
8 0.1324 0.0038 0.1436 0.0 O = 1.00
9 0.1027 0.0149 0.4268 0.0 O = 1.00
10 0.36 0.985 0.2455 0.0 O = 1.00
11 0.2186 0.75 0.2982 0.0 O = 1.00
12 0.2283 0.25 0.3125 0.0 O = 1.00
13 0.2744 0.75 0.0591 0.0 O = 1.00
14 0.9938 0.25 0.1599 0.0 O = 1.00
15 0.9984 0.75 0.2848 0.0 O = 1.00
16 0.4185 0.75 0.4439 0.0 O = 1.00
17 0.2715 0.25 0.0777 0.0 O = 1.00
18 0.2703 0.25 0.9777 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3674 0.25 0.4373
2 2 0.4504 0.25 0.1197
3 3 0.0834 0.25 0.1037
4 4 0.4118 0.75 0.2854
5 5 0.1607 0.25 0.4333
6 6 0.2505 0.9967 0.1896
7 7 0.1065 0.75 0.3026
8 8 0.1324 0.0038 0.1436
9 9 0.1027 0.0149 0.4268
10 10 0.36 0.985 0.2455
11 11 0.2186 0.75 0.2982
12 12 0.2283 0.25 0.3125
13 13 0.2744 0.75 0.0591
14 14 0.9938 0.25 0.1599
15 15 0.9984 0.75 0.2848
16 16 0.4185 0.75 0.4439
17 17 0.2715 0.25 0.0777
18 18 0.2703 0.25 0.9777
19 1 0.1326 0.75 0.9373
20 2 0.0496 0.75 0.6197
21 3 0.4166 0.75 0.6037
22 4 0.0882 0.25 0.7854
23 5 0.3393 0.75 0.9333
24 6 0.2495 0.0033 0.6896
25 7 0.3935 0.25 0.8026
26 8 0.3676 0.9962 0.6436
27 9 0.3973 0.9851 0.9268
28 10 0.14 0.015 0.7455
29 11 0.2814 0.25 0.7982
30 12 0.2717 0.75 0.8125
31 13 0.2256 0.25 0.5591
32 14 0.5062 0.75 0.6599
33 15 0.5016 0.25 0.7848
34 16 0.0815 0.25 0.9439
35 17 0.2285 0.75 0.5777
36 18 0.2297 0.75 0.4777
37 6 0.2495 0.4967 0.6896
38 8 0.3676 0.5038 0.6436
39 9 0.3973 0.5149 0.9268
40 10 0.14 0.485 0.7455
41 6 0.2505 0.5033 0.1896
42 8 0.1324 0.4962 0.1436
43 9 0.1027 0.4851 0.4268
44 10 0.36 0.515 0.2455
45 1 0.8674 0.25 0.0627
46 2 0.9504 0.25 0.3803
47 3 0.5834 0.25 0.3963
48 4 0.9118 0.75 0.2146
49 5 0.6607 0.25 0.0667
50 6 0.7505 0.9967 0.3104
51 7 0.6065 0.75 0.1974
52 8 0.6324 0.0038 0.3564
53 9 0.6027 0.0149 0.0732
54 10 0.86 0.985 0.2545
55 11 0.7186 0.75 0.2018
56 12 0.7283 0.25 0.1875
57 13 0.7744 0.75 0.4409
58 14 0.4938 0.25 0.3401
59 15 0.4984 0.75 0.2152
60 16 0.9185 0.75 0.0561
61 17 0.7715 0.25 0.4223
62 18 0.7703 0.25 0.5223
63 1 0.6326 0.75 0.5627
64 2 0.5496 0.75 0.8803
65 3 0.9166 0.75 0.8963
66 4 0.5882 0.25 0.7146
67 5 0.8393 0.75 0.5667
68 6 0.7495 0.0033 0.8104
69 7 0.8935 0.25 0.6974
70 8 0.8676 0.9962 0.8564
71 9 0.8973 0.9851 0.5732
72 10 0.64 0.015 0.7545
73 11 0.7814 0.25 0.7018
74 12 0.7717 0.75 0.6875
75 13 0.7256 0.25 0.9409
76 14 0.0062 0.75 0.8401
77 15 0.0016 0.25 0.7152
78 16 0.5815 0.25 0.5561
79 17 0.7285 0.75 0.9223
80 18 0.7297 0.75 0.0223
81 6 0.7495 0.4967 0.8104
82 8 0.8676 0.5038 0.8564
83 9 0.8973 0.5149 0.5732
84 10 0.64 0.485 0.7545
85 6 0.7505 0.5033 0.3104
86 8 0.6324 0.4962 0.3564
87 9 0.6027 0.4851 0.0732
88 10 0.86 0.515 0.2545
X-ray density (g/cm cub.) = 3.39
MU (1/cm) = 182.282 Mass attenuation coefficient (cm**2/g) = 53.742
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.4218 10
2.5572 12
2.501 8
2.5815 13
2.501 8
2.4218 10
2.2479 14
2 Ca 2.88 7
2.4167 10
2.5724 9
2.5724 9
2.4167 10
2.8041 9
2.3173 14
2.8041 9
3 Si 2.1 4
1.6223 8
1.5421 14
1.6035 16
1.6223 8
4 Si 2.1 4
1.5934 10
1.5939 16
1.5934 10
1.5568 15
5 Si 2.1 4
1.6006 9
1.6255 12
1.6352 13
1.6006 9
6 Al 2.316 6
1.9497 8
1.8439 10
1.8199 11
1.9003 12
1.9292 13
1.8259 17
7 Al 2.316 6
2.165 8
1.9239 9
1.7974 11
1.7418 15
2.165 8
1.9239 9
8 O 3.264 10
2.8804 9
2.5075 11
2.6628 12
2.8063 13
2.6103 14
2.9298 15
2.6952 17
2.5561 16
2.7239 8
2.8084 8
9 O 3.264 9
2.8804 8
2.6955 11
2.6572 12
2.6395 15
3.2531 10
2.7084 13
2.917 17
2.6017 9
2.9306 9
10 O 3.264 10
2.6658 11
2.6567 12
2.6588 13
2.5556 16
2.645 17
3.2531 9
2.9317 10
2.6006 10
2.7645 14
2.5888 15
11 O 3.264 10
2.5075 8
2.6955 9
2.6658 10
2.7742 12
2.7742 12
2.5592 13
2.809 17
2.5075 8
2.6955 9
2.6658 10
12 O 3.264 10
2.6628 8
2.6572 9
2.6567 10
2.7742 11
2.7742 11
2.4548 17
2.4744 13
2.6628 8
2.6572 9
2.6567 10
13 O 3.264 10
2.8063 8
2.6588 10
2.5592 11
2.7728 17
2.7728 17
2.7084 9
2.4744 12
2.7084 9
2.8063 8
2.6588 10
14 O 3.264 9
2.6103 8
3.0374 15
3.0374 15
2.5825 16
2.6103 8
2.7645 10
3.1925 16
3.1925 16
2.7645 10
15 O 3.264 9
2.9298 8
2.6395 9
3.0374 14
3.0374 14
2.9298 8
2.6395 9
2.5888 10
2.6275 16
2.5888 10
16 O 3.264 8
2.5556 10
2.5561 8
2.5825 14
2.5561 8
2.5556 10
3.1925 14
3.1925 14
2.6275 15
17 O 3.264 10
2.6952 8
2.645 10
2.4548 12
2.7728 13
2.7728 13
2.917 9
2.809 11
2.917 9
2.6952 8
2.645 10
18 H 1.632 1
1.004 17
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 1 5.197 10.395 0.059 240.75 4 6.2 4.7
2 2 0 0 5.516 11.032 0.062 213.49 2 49.2 130.5
3 2 0 1 7.067 14.134 0.08 129.18 4 0.7 0.0
4 0 0 2 8.834 17.668 0.1 81.87 2 103.0 219.6
5 0 1 1 9.149 18.298 0.103 76.18 4 18.2 12.7
6 1 0 2 9.26 18.52 0.104 74.31 4 23.6 20.9
7 3 0 1 9.402 18.803 0.106 72.02 4 1.6 0.1
8 1 1 1 9.562 19.123 0.108 69.56 8 26.7 50.0
9 2 1 0 9.741 19.481 0.11 66.95 4 7.1 1.7
10 2 0 2 10.438 20.876 0.118 58.02 4 25.8 19.5
11 2 1 1 10.708 21.415 0.121 55.03 8 2.8 0.4
12 4 0 0 11.084 22.168 0.125 51.22 2 95.8 118.7
13 4 0 1 11.947 23.895 0.134 43.79 4 52.6 61.2
14 3 0 2 12.16 24.321 0.137 42.2 4 69.0 101.5
15 1 1 2 12.286 24.572 0.138 41.3 8 11.1 5.2
16 3 1 1 12.394 24.789 0.139 40.54 8 76.6 240.6
17 2 1 2 13.208 26.417 0.148 35.45 8 4.5 0.7
18 1 0 3 13.61 27.22 0.153 33.27 4 6.9 0.8
19 4 1 0 13.731 27.463 0.154 32.66 4 3.0 0.2
20 4 0 2 14.244 28.488 0.16 30.21 4 82.9 105.0
21 4 1 1 14.447 28.893 0.162 29.31 8 31.1 28.7
22 2 0 3 14.454 28.908 0.162 29.28 4 71.7 76.1
23 5 0 1 14.612 29.224 0.164 28.61 4 96.8 135.6
24 3 1 2 14.626 29.251 0.164 28.55 8 17.7 9.0
25 0 1 3 15.614 31.229 0.175 24.81 4 255.7 820.3
26 3 0 3 15.769 31.538 0.176 24.29 4 18.2 4.1
27 1 1 3 15.868 31.736 0.177 23.96 8 76.5 141.7
28 0 2 0 16.169 32.337 0.181 23.01 2 235.1 321.6
29 4 1 2 16.422 32.845 0.184 22.25 8 11.1 2.8
30 5 0 2 16.57 33.14 0.185 21.82 4 151.8 254.1
31 2 1 3 16.607 33.215 0.186 21.72 8 58.4 74.8
32 5 1 1 16.747 33.494 0.187 21.32 8 151.4 494.4
33 6 0 0 16.76 33.52 0.187 21.29 2 174.5 163.8
34 1 2 1 17.027 34.055 0.19 20.57 8 33.6 23.4
35 2 2 0 17.133 34.266 0.191 20.29 4 116.3 138.7
36 6 0 1 17.362 34.725 0.194 19.71 4 36.6 13.4
37 4 0 3 17.46 34.919 0.195 19.47 4 8.6 0.7
38 2 2 1 17.724 35.448 0.198 18.85 8 20.8 8.3
39 3 1 3 17.779 35.558 0.198 18.72 8 100.8 192.2
40 0 0 4 17.887 35.774 0.199 18.47 2 59.3 16.4
41 1 0 4 18.112 36.224 0.202 17.97 4 70.9 45.7
42 5 1 2 18.503 37.006 0.206 17.15 8 27.4 13.0
43 0 2 2 18.542 37.085 0.206 17.07 4 82.3 58.4
44 6 1 0 18.676 37.353 0.208 16.8 4 1.0 0.0
45 1 2 2 18.761 37.521 0.209 16.63 8 108.2 197.0
46 2 0 4 18.774 37.547 0.209 16.61 4 60.9 31.2
47 3 2 1 18.835 37.67 0.21 16.49 8 10.9 2.0
48 6 0 2 19.069 38.138 0.212 16.04 4 38.2 11.9
49 6 1 1 19.226 38.452 0.214 15.76 8 40.3 25.9
50 4 1 3 19.315 38.631 0.215 15.6 8 89.1 125.2
51 2 2 2 19.403 38.806 0.216 15.44 8 115.9 209.7
52 5 0 3 19.444 38.887 0.216 15.37 4 19.8 3.0
53 4 2 0 19.778 39.556 0.22 14.8 4 11.3 1.0
54 3 0 4 19.834 39.668 0.22 14.71 4 22.8 3.9
55 1 1 4 19.915 39.831 0.221 14.57 8 29.8 13.1
56 7 0 1 20.187 40.373 0.224 14.14 4 78.8 44.4
57 4 2 1 20.303 40.606 0.225 13.96 8 83.4 98.1
58 3 2 2 20.436 40.872 0.227 13.76 8 52.6 38.4
59 2 1 4 20.527 41.055 0.228 13.62 8 18.9 4.9
60 6 1 2 20.802 41.604 0.231 13.22 8 24.4 8.0
61 5 1 3 21.151 42.302 0.234 12.74 8 1.2 0.0
62 4 0 4 21.244 42.488 0.235 12.62 4 9.6 0.6
63 1 2 3 21.382 42.763 0.237 12.43 8 65.6 54.1
64 3 1 4 21.516 43.031 0.238 12.26 8 28.5 10.0
65 6 0 3 21.659 43.317 0.24 12.08 4 112.3 77.1
66 7 0 2 21.705 43.409 0.24 12.02 4 17.3 1.8
67 4 2 2 21.814 43.628 0.241 11.89 8 20.3 4.9
68 7 1 1 21.846 43.692 0.242 11.85 8 8.0 0.8
69 2 2 3 21.96 43.92 0.243 11.71 8 129.7 199.2
70 5 2 1 22.071 44.141 0.244 11.58 8 125.1 183.3
71 8 0 0 22.612 45.224 0.25 10.96 2 194.8 105.2
72 1 0 5 22.763 45.526 0.251 10.8 4 0.3 0.0
73 4 1 4 22.841 45.682 0.252 10.72 8 44.7 21.6
74 3 2 3 22.898 45.796 0.253 10.66 8 39.5 16.8
75 5 0 4 22.953 45.906 0.253 10.6 4 95.6 48.9
76 8 0 1 23.084 46.168 0.255 10.46 4 75.9 30.4
77 6 1 3 23.233 46.465 0.256 10.31 8 7.1 0.5
78 7 1 2 23.276 46.552 0.257 10.27 8 64.2 42.8
79 2 0 5 23.314 46.628 0.257 10.23 4 94.6 46.3
80 5 2 2 23.49 46.98 0.259 10.06 8 104.0 110.1
81 6 2 0 23.633 47.265 0.26 9.92 4 20.1 2.0
82 7 0 3 24.063 48.125 0.265 9.52 4 41.9 8.5
83 6 2 1 24.089 48.179 0.265 9.5 8 14.9 2.1
84 0 1 5 24.104 48.208 0.265 9.49 4 29.2 4.1
85 8 1 0 24.137 48.274 0.265 9.46 4 71.2 24.2
86 4 2 3 24.164 48.328 0.266 9.43 8 1.0 0.0
87 3 0 5 24.211 48.423 0.266 9.39 4 35.8 6.1
88 1 1 5 24.281 48.562 0.267 9.33 8 28.1 7.5
89 8 0 2 24.458 48.916 0.269 9.18 4 88.0 35.9
90 5 1 4 24.462 48.923 0.269 9.17 8 57.2 30.3
91 0 2 4 24.493 48.986 0.269 9.15 4 46.4 10.0
92 8 1 1 24.587 49.173 0.27 9.07 8 25.5 6.0
93 1 2 4 24.668 49.336 0.271 9.0 8 141.4 182.0
94 2 1 5 24.806 49.612 0.272 8.89 8 70.0 44.1
95 6 0 4 24.916 49.833 0.273 8.8 4 26.3 3.1
96 0 3 1 25.132 50.263 0.276 8.63 4 23.8 2.5
97 2 2 4 25.187 50.375 0.276 8.58 8 33.4 9.7
98 1 3 1 25.303 50.607 0.277 8.49 8 12.9 1.4
99 2 3 0 25.38 50.76 0.278 8.44 4 28.4 3.5
100 6 2 2 25.422 50.844 0.279 8.4 8 20.3 3.5
101 4 0 5 25.427 50.855 0.279 8.4 4 33.6 4.8
102 7 1 3 25.522 51.043 0.28 8.33 8 20.0 3.4
103 3 1 5 25.664 51.328 0.281 8.22 8 13.0 1.4
104 5 2 3 25.721 51.443 0.282 8.18 8 31.4 8.1
105 2 3 1 25.813 51.627 0.283 8.12 8 5.9 0.3
106 8 1 2 25.9 51.801 0.284 8.05 8 10.7 0.9
107 3 2 4 26.036 52.072 0.285 7.96 8 53.9 23.3
108 9 0 1 26.06 52.12 0.285 7.94 4 11.9 0.6
109 7 2 1 26.322 52.645 0.288 7.76 8 14.3 1.6
110 6 1 4 26.341 52.681 0.288 7.75 8 51.2 20.5
111 1 3 2 26.591 53.183 0.291 7.59 8 12.2 1.1
112 8 0 3 26.629 53.258 0.291 7.56 4 7.8 0.2
113 3 3 1 26.648 53.296 0.291 7.55 8 64.0 31.2
114 4 1 5 26.832 53.664 0.293 7.43 8 88.2 58.4
115 5 0 5 26.932 53.863 0.294 7.37 4 10.0 0.4
116 2 3 2 27.084 54.168 0.296 7.28 8 8.1 0.5
117 7 0 4 27.1 54.199 0.296 7.27 4 28.9 3.1
118 4 2 4 27.193 54.385 0.297 7.21 8 28.2 5.8
119 9 0 2 27.323 54.645 0.298 7.13 4 61.7 13.7
120 4 3 0 27.375 54.75 0.298 7.1 4 6.7 0.2
121 0 0 6 27.433 54.866 0.299 7.07 2 97.5 17.0
122 9 1 1 27.442 54.884 0.299 7.06 8 95.5 65.2
123 6 2 3 27.538 55.077 0.3 7.0 8 32.0 7.2
124 7 2 2 27.577 55.154 0.3 6.98 8 80.1 45.3
125 1 0 6 27.594 55.189 0.301 6.97 4 95.2 32.0
126 4 3 1 27.787 55.574 0.303 6.86 8 24.8 4.3
127 3 3 2 27.892 55.784 0.304 6.8 8 17.1 2.0
128 8 1 3 27.991 55.983 0.305 6.75 8 19.1 2.5
129 2 0 6 28.075 56.15 0.305 6.7 4 34.9 4.1
130 5 1 5 28.284 56.568 0.308 6.59 8 95.3 60.5
131 8 2 0 28.342 56.684 0.308 6.56 4 95.7 30.4
132 7 1 4 28.447 56.894 0.309 6.51 8 21.3 3.0
133 1 2 5 28.471 56.941 0.309 6.5 8 19.2 2.4
134 0 3 3 28.49 56.98 0.31 6.49 4 172.8 97.9
135 5 2 4 28.633 57.265 0.311 6.41 8 171.5 190.8
136 1 3 3 28.648 57.295 0.311 6.4 8 63.9 26.4
137 9 1 2 28.663 57.326 0.311 6.4 8 111.2 80.0
138 6 0 5 28.696 57.391 0.312 6.38 4 87.0 24.4
139 10 0 0 28.725 57.451 0.312 6.37 2 61.2 6.0
140 8 2 1 28.745 57.489 0.312 6.36 8 17.3 1.9
141 3 0 6 28.865 57.729 0.313 6.3 4 215.5 147.8
142 1 1 6 28.926 57.852 0.314 6.27 8 32.5 6.7
143 2 2 5 28.942 57.884 0.314 6.26 8 2.4 0.0
144 4 3 2 28.998 57.996 0.315 6.23 8 19.3 2.4
145 2 3 3 29.117 58.234 0.316 6.17 8 46.7 13.6
146 10 0 1 29.124 58.249 0.316 6.17 4 8.7 0.2
147 5 3 1 29.207 58.415 0.317 6.13 8 120.8 90.4
148 9 0 3 29.345 58.69 0.318 6.07 4 4.5 0.1
149 2 1 6 29.393 58.785 0.319 6.04 8 36.2 8.0
150 8 0 4 29.479 58.958 0.319 6.0 4 44.1 5.9
151 7 2 3 29.587 59.175 0.321 5.96 8 12.1 0.9
152 3 2 5 29.717 59.433 0.322 5.9 8 27.8 4.6
153 3 3 3 29.889 59.778 0.323 5.82 8 75.5 33.6
154 8 2 2 29.931 59.862 0.324 5.8 8 54.6 17.5
155 4 0 6 29.948 59.895 0.324 5.8 4 131.0 50.3
156 6 1 5 29.996 59.992 0.325 5.78 8 61.1 21.8
157 10 1 0 30.025 60.049 0.325 5.76 4 141.3 58.1
158 3 1 6 30.16 60.321 0.326 5.71 8 13.4 1.0
159 10 0 2 30.301 60.603 0.328 5.65 4 4.4 0.1
160 6 2 4 30.332 60.664 0.328 5.63 8 0.1 0.0
161 5 3 2 30.382 60.765 0.328 5.61 8 36.0 7.3
162 10 1 1 30.413 60.826 0.329 5.6 8 100.6 57.3
163 6 3 0 30.502 61.004 0.329 5.56 4 21.2 1.3
164 9 1 3 30.628 61.256 0.331 5.51 8 15.6 1.4
165 7 0 5 30.695 61.39 0.331 5.49 4 23.0 1.5
166 8 1 4 30.759 61.517 0.332 5.46 8 38.7 8.3
167 4 2 5 30.781 61.562 0.332 5.45 8 28.4 4.5
168 6 3 1 30.887 61.774 0.333 5.41 8 39.4 8.5
169 4 3 3 30.95 61.9 0.334 5.39 8 58.4 18.6
170 4 1 6 31.216 62.431 0.336 5.29 8 23.1 2.9
171 5 0 6 31.306 62.613 0.337 5.25 4 34.5 3.2
172 9 2 1 31.341 62.682 0.338 5.24 8 49.4 12.9
173 1 3 4 31.378 62.757 0.338 5.23 8 8.2 0.4
174 10 1 2 31.561 63.122 0.34 5.16 8 27.7 4.0
175 2 3 4 31.823 63.647 0.342 5.07 8 8.3 0.4
176 8 2 3 31.848 63.697 0.343 5.06 8 8.1 0.3
177 7 1 5 31.946 63.892 0.343 5.02 8 52.0 13.7
178 6 3 2 32.025 64.051 0.344 5.0 8 12.3 0.8
179 9 0 4 32.039 64.079 0.344 4.99 4 135.0 46.0
180 5 2 5 32.119 64.239 0.345 4.97 8 43.4 9.5
181 10 0 3 32.206 64.412 0.346 4.94 4 100.3 25.1
182 7 2 4 32.27 64.54 0.347 4.92 8 162.4 131.1
183 5 3 3 32.284 64.568 0.347 4.91 8 8.3 0.3
184 11 0 1 32.291 64.582 0.347 4.91 4 29.9 2.2
185 9 2 2 32.471 64.941 0.348 4.85 8 105.1 54.1
186 5 1 6 32.544 65.088 0.349 4.83 8 32.4 5.1
187 3 3 4 32.557 65.114 0.349 4.82 8 23.1 2.6
188 0 2 6 32.57 65.14 0.349 4.82 4 93.8 21.4
189 1 0 7 32.659 65.318 0.35 4.79 4 20.2 1.0
190 1 2 6 32.715 65.431 0.351 4.77 8 139.1 93.4
191 7 3 1 32.807 65.613 0.352 4.74 8 18.6 1.7
192 8 0 5 32.912 65.824 0.353 4.71 4 36.5 3.2
193 6 0 6 32.923 65.846 0.353 4.71 4 15.3 0.6
194 2 0 7 33.094 66.189 0.354 4.66 4 26.7 1.7
195 2 2 6 33.151 66.301 0.355 4.64 8 51.8 12.6
196 9 1 4 33.262 66.524 0.356 4.61 8 9.8 0.4
197 11 0 2 33.403 66.806 0.357 4.57 4 78.3 14.2
198 10 1 3 33.425 66.851 0.358 4.56 8 18.0 1.5
199 11 1 1 33.509 67.018 0.358 4.54 8 8.3 0.3
200 4 3 4 33.57 67.141 0.359 4.52 8 40.0 7.3
201 6 2 5 33.715 67.43 0.36 4.48 8 7.1 0.2
202 0 1 7 33.727 67.454 0.36 4.47 4 68.2 10.5
203 10 2 0 33.742 67.484 0.361 4.47 4 75.8 13.0
204 3 0 7 33.814 67.627 0.361 4.45 4 50.5 5.7
205 0 4 0 33.844 67.688 0.362 4.44 2 443.6 221.0
206 3 2 6 33.869 67.739 0.362 4.43 8 68.9 21.3
207 1 1 7 33.87 67.74 0.362 4.43 8 20.3 1.9
208 6 3 3 33.876 67.752 0.362 4.43 8 7.3 0.2
209 7 3 2 33.91 67.82 0.362 4.42 8 42.3 8.0
210 10 2 1 34.107 68.214 0.364 4.37 8 0.4 0.0
211 8 1 5 34.118 68.237 0.364 4.37 8 42.5 8.0
212 6 1 6 34.129 68.259 0.364 4.36 8 1.1 0.0
213 2 1 7 34.298 68.595 0.366 4.32 8 42.4 7.9
214 9 2 3 34.309 68.618 0.366 4.32 8 28.8 3.6
215 1 4 1 34.35 68.701 0.366 4.31 8 4.4 0.1
216 2 4 0 34.414 68.828 0.367 4.29 4 23.7 1.2
217 8 2 4 34.432 68.864 0.367 4.29 8 47.2 9.7
218 0 3 5 34.565 69.129 0.368 4.25 4 13.7 0.4
219 8 3 0 34.591 69.183 0.369 4.24 4 56.0 6.7
220 11 1 2 34.601 69.202 0.369 4.24 8 43.0 7.9
221 1 3 5 34.706 69.412 0.37 4.22 8 27.2 3.2
222 2 4 1 34.775 69.551 0.37 4.2 8 1.1 0.0
223 10 0 4 34.776 69.552 0.37 4.2 4 35.5 2.7
224 7 0 6 34.783 69.566 0.37 4.2 4 6.1 0.1
225 4 0 7 34.809 69.617 0.371 4.19 4 13.8 0.4
226 5 3 4 34.851 69.703 0.371 4.18 8 57.9 14.2
227 4 2 6 34.863 69.727 0.371 4.18 8 12.5 0.7
228 8 3 1 34.952 69.904 0.372 4.16 8 15.0 0.9
229 3 1 7 35.005 70.01 0.372 4.14 8 13.1 0.7
230 2 3 5 35.129 70.258 0.374 4.11 8 59.7 14.8
231 10 2 2 35.19 70.381 0.374 4.1 8 168.8 118.1
232 11 0 3 35.217 70.434 0.374 4.09 4 55.5 6.4
233 12 0 0 35.221 70.442 0.374 4.09 2 63.0 4.1
234 0 4 2 35.29 70.58 0.375 4.08 4 56.9 6.7
235 9 0 5 35.335 70.67 0.375 4.07 4 80.1 13.2
236 1 4 2 35.43 70.861 0.376 4.04 8 14.4 0.8
237 3 4 1 35.478 70.957 0.377 4.03 8 3.1 0.0
238 7 2 5 35.555 71.11 0.377 4.02 8 0.2 0.0
239 12 0 1 35.579 71.158 0.378 4.01 4 45.8 4.3
240 7 3 3 35.712 71.424 0.379 3.98 8 20.2 1.6
241 3 3 5 35.829 71.658 0.38 3.96 8 2.2 0.0
242 2 4 2 35.85 71.699 0.38 3.95 8 17.5 1.2
243 10 1 4 35.953 71.905 0.381 3.93 8 14.0 0.8
244 7 1 6 35.96 71.919 0.381 3.93 8 37.3 5.5
245 4 1 7 35.985 71.97 0.381 3.92 8 8.0 0.3
246 8 3 2 36.024 72.048 0.382 3.91 8 6.0 0.1
247 5 0 7 36.069 72.139 0.382 3.9 4 59.0 6.9
248 4 4 0 36.099 72.198 0.382 3.9 4 54.4 5.8
249 5 2 6 36.123 72.247 0.383 3.89 8 81.7 26.3
250 11 1 3 36.388 72.776 0.385 3.84 8 6.0 0.1
251 6 3 4 36.389 72.778 0.385 3.84 8 46.9 8.5
252 12 1 0 36.392 72.783 0.385 3.84 4 6.3 0.1
253 4 4 1 36.453 72.906 0.386 3.83 8 32.7 4.1
254 9 1 5 36.504 73.008 0.386 3.82 8 5.7 0.1
255 3 4 2 36.544 73.088 0.387 3.81 8 40.2 6.2
256 12 0 2 36.643 73.286 0.387 3.79 4 47.1 4.3
257 12 1 1 36.745 73.489 0.388 3.77 8 28.4 3.1
258 4 3 5 36.8 73.6 0.389 3.76 8 78.2 23.3
259 9 2 4 36.809 73.618 0.389 3.76 8 9.6 0.3
260 8 0 6 36.875 73.75 0.39 3.74 4 36.4 2.5
261 10 2 3 36.965 73.93 0.39 3.73 8 152.3 87.4
262 11 2 1 37.045 74.09 0.391 3.71 8 84.9 27.0
263 1 4 3 37.2 74.401 0.392 3.68 8 8.5 0.3
264 5 1 7 37.229 74.458 0.393 3.68 8 58.3 12.6
265 9 3 1 37.315 74.629 0.393 3.66 8 84.0 26.2
266 1 2 7 37.391 74.782 0.394 3.65 8 63.5 14.9
267 4 4 2 37.507 75.015 0.395 3.63 8 54.4 10.9
268 6 0 7 37.587 75.173 0.396 3.61 4 20.1 0.7
269 2 4 3 37.612 75.224 0.396 3.61 8 35.3 4.5
270 8 2 5 37.629 75.259 0.396 3.61 8 119.7 52.2
271 6 2 6 37.64 75.28 0.396 3.6 8 40.1 5.9
272 5 4 1 37.691 75.382 0.397 3.6 8 61.6 13.8
273 11 0 4 37.692 75.384 0.397 3.6 4 82.5 12.4
274 8 3 3 37.783 75.566 0.398 3.58 8 0.6 0.0
275 12 1 2 37.796 75.592 0.398 3.58 8 24.0 2.1
276 2 2 7 37.802 75.603 0.398 3.58 8 20.8 1.6
277 0 0 8 37.899 75.799 0.399 3.56 2 143.6 18.6
278 10 0 5 37.961 75.923 0.399 3.55 4 77.6 10.8
279 8 1 6 38.025 76.051 0.4 3.54 8 20.1 1.4
280 5 3 5 38.034 76.068 0.4 3.54 8 77.5 21.5
281 1 0 8 38.036 76.072 0.4 3.54 4 23.3 1.0
282 11 2 2 38.093 76.187 0.4 3.53 8 20.0 1.4
283 7 3 4 38.174 76.348 0.401 3.52 8 19.3 1.3
284 3 4 3 38.294 76.588 0.402 3.5 8 9.7 0.3
285 9 3 2 38.361 76.721 0.403 3.49 8 99.4 34.8
286 12 0 3 38.392 76.783 0.403 3.48 4 48.1 4.1
287 2 0 8 38.444 76.888 0.404 3.47 4 119.5 25.1
288 3 2 7 38.483 76.965 0.404 3.47 8 18.3 1.2
289 1 3 6 38.589 77.178 0.405 3.45 8 28.3 2.8
290 6 1 7 38.73 77.46 0.406 3.43 8 80.6 22.5
291 5 4 2 38.734 77.468 0.406 3.43 8 113.1 44.3
292 11 1 4 38.834 77.668 0.407 3.41 8 45.3 7.1
293 6 4 0 38.841 77.682 0.407 3.41 4 118.4 24.2
294 2 3 6 38.995 77.991 0.408 3.39 8 17.3 1.0
295 13 0 1 39.013 78.026 0.409 3.39 4 12.6 0.3
296 10 1 5 39.101 78.202 0.409 3.37 8 40.7 5.7
297 3 0 8 39.122 78.244 0.41 3.37 4 27.8 1.3
298 1 1 8 39.175 78.35 0.41 3.36 8 2.4 0.0
299 6 4 1 39.186 78.372 0.41 3.36 8 27.6 2.6
300 9 0 6 39.194 78.387 0.41 3.36 4 56.9 5.5
301 4 4 3 39.243 78.486 0.411 3.35 8 3.3 0.0
302 7 0 7 39.353 78.706 0.412 3.34 4 41.9 3.0
303 10 2 4 39.399 78.798 0.412 3.33 8 70.6 16.8
304 7 2 6 39.406 78.811 0.412 3.33 8 55.8 10.5
305 4 2 7 39.43 78.86 0.412 3.33 8 5.8 0.1
306 0 4 4 39.495 78.99 0.413 3.32 4 41.3 2.9
307 6 3 5 39.525 79.05 0.413 3.32 8 65.6 14.4
308 12 1 3 39.528 79.055 0.413 3.32 8 12.8 0.5
309 10 3 0 39.55 79.101 0.413 3.31 4 130.9 28.7
310 2 1 8 39.58 79.159 0.414 3.31 8 11.5 0.4
311 1 4 4 39.63 79.259 0.414 3.3 8 54.0 9.7
312 3 3 6 39.67 79.34 0.414 3.3 8 10.7 0.4
313 11 2 3 39.821 79.642 0.416 3.28 8 79.8 21.1
314 12 2 0 39.825 79.649 0.416 3.28 4 6.4 0.1
315 10 3 1 39.894 79.788 0.416 3.27 8 100.7 33.5
316 9 2 5 39.934 79.868 0.417 3.26 8 96.0 30.4
317 2 4 4 40.033 80.067 0.418 3.25 8 39.5 5.1
318 13 0 2 40.045 80.09 0.418 3.25 4 29.0 1.4
319 4 0 8 40.065 80.13 0.418 3.25 4 17.2 0.5
320 9 3 3 40.085 80.17 0.418 3.24 8 10.5 0.4
321 13 1 1 40.144 80.288 0.418 3.24 8 20.2 1.3
322 12 2 1 40.168 80.335 0.419 3.23 8 4.5 0.1
323 8 3 4 40.201 80.403 0.419 3.23 8 25.6 2.1
324 6 4 2 40.217 80.435 0.419 3.23 8 49.3 7.9
325 3 1 8 40.252 80.504 0.419 3.22 8 2.6 0.0
326 9 1 6 40.323 80.646 0.42 3.22 8 25.1 2.0
327 5 4 3 40.454 80.907 0.421 3.2 8 9.8 0.3
328 7 1 7 40.482 80.963 0.421 3.2 8 62.9 12.8
329 4 3 6 40.61 81.22 0.423 3.18 8 17.7 1.0
330 5 2 7 40.639 81.279 0.423 3.18 8 126.3 51.3
331 3 4 4 40.704 81.408 0.423 3.17 8 15.8 0.8
332 11 0 5 40.796 81.592 0.424 3.16 4 6.4 0.1
333 12 0 4 40.8 81.6 0.424 3.16 4 29.4 1.4
334 10 3 2 40.921 81.841 0.425 3.15 8 18.2 1.1
335 7 4 1 40.933 81.866 0.425 3.15 8 40.0 5.1
336 13 1 2 41.169 82.338 0.427 3.12 8 6.5 0.1
337 4 1 8 41.189 82.378 0.427 3.12 8 11.5 0.4
338 12 2 2 41.193 82.386 0.428 3.12 8 1.3 0.0
339 7 3 5 41.268 82.537 0.428 3.11 8 44.5 6.2
340 5 0 8 41.27 82.54 0.428 3.11 4 44.1 3.1
341 8 0 7 41.365 82.73 0.429 3.1 4 38.9 2.4
342 8 2 6 41.417 82.834 0.429 3.09 8 11.5 0.4
343 4 4 4 41.639 83.277 0.431 3.07 8 6.9 0.1
344 10 0 6 41.741 83.482 0.432 3.06 4 4.1 0.0
345 13 0 3 41.752 83.504 0.432 3.06 4 41.7 2.7
346 5 3 6 41.812 83.624 0.433 3.06 8 22.8 1.6
347 11 1 5 41.916 83.832 0.434 3.05 8 39.9 4.9
348 12 1 4 41.92 83.839 0.434 3.05 8 20.1 1.2
349 6 4 3 41.923 83.845 0.434 3.05 8 58.9 10.7
350 7 4 2 41.954 83.908 0.434 3.04 8 6.4 0.1
351 6 2 7 42.107 84.214 0.435 3.03 8 56.8 9.9
352 11 2 4 42.209 84.419 0.436 3.02 8 7.7 0.2
353 14 0 0 42.288 84.576 0.437 3.01 2 13.8 0.1
354 5 1 8 42.388 84.775 0.438 3.0 8 12.1 0.4
355 0 2 8 42.411 84.823 0.438 3.0 4 60.3 5.5
356 9 3 4 42.47 84.941 0.438 3.0 8 18.1 1.0
357 10 2 5 42.472 84.943 0.438 3.0 8 13.7 0.6
358 8 1 7 42.482 84.965 0.438 3.0 8 54.1 8.8
359 1 2 8 42.544 85.088 0.439 2.99 8 0.1 0.0
360 8 4 0 42.591 85.182 0.439 2.99 4 118.4 21.2
361 10 3 3 42.621 85.242 0.44 2.98 8 15.1 0.7
362 14 0 1 42.627 85.254 0.44 2.98 4 25.2 1.0
363 11 3 1 42.698 85.396 0.44 2.98 8 2.5 0.0
364 1 4 5 42.699 85.398 0.44 2.98 8 0.5 0.0
365 6 0 8 42.734 85.468 0.44 2.97 4 68.8 7.1
366 5 4 4 42.835 85.671 0.441 2.97 8 58.8 10.4
367 10 1 6 42.857 85.713 0.442 2.97 8 64.3 12.4
368 13 1 3 42.868 85.735 0.442 2.96 8 10.5 0.3
369 12 2 3 42.891 85.782 0.442 2.96 8 52.2 8.2
370 0 3 7 42.899 85.799 0.442 2.96 4 63.7 6.1
371 8 4 1 42.93 85.86 0.442 2.96 8 44.2 5.8
372 2 2 8 42.942 85.885 0.442 2.96 8 28.6 2.4
373 1 3 7 43.032 86.064 0.443 2.95 8 8.9 0.2
374 2 4 5 43.097 86.194 0.443 2.95 8 56.4 9.5
375 8 3 5 43.263 86.526 0.445 2.93 8 42.2 5.3
376 6 3 6 43.273 86.546 0.445 2.93 8 9.7 0.3
377 14 1 0 43.402 86.804 0.446 2.92 4 152.1 34.2
378 2 3 7 43.43 86.86 0.446 2.92 8 40.6 4.9
379 13 2 1 43.499 86.997 0.447 2.92 8 0.2 0.0
380 3 2 8 43.605 87.211 0.448 2.91 8 22.1 1.4
381 9 0 7 43.624 87.248 0.448 2.91 4 69.0 7.0
382 14 0 2 43.643 87.285 0.448 2.91 4 25.9 1.0
383 7 4 3 43.649 87.297 0.448 2.91 8 21.2 1.3
384 9 2 6 43.676 87.351 0.448 2.91 8 8.6 0.2
385 11 3 2 43.713 87.427 0.449 2.9 8 43.9 5.7
386 14 1 1 43.74 87.48 0.449 2.9 8 16.9 0.8
387 3 4 5 43.76 87.519 0.449 2.9 8 25.0 1.8
388 7 2 7 43.832 87.665 0.45 2.9 8 2.0 0.0
389 1 0 9 43.847 87.693 0.45 2.89 4 27.3 1.1
390 6 1 8 43.847 87.693 0.45 2.89 8 84.8 21.0
391 12 0 5 43.855 87.71 0.45 2.89 4 60.5 5.4
392 8 4 2 43.945 87.89 0.45 2.89 8 58.3 9.9
393 3 3 7 44.092 88.185 0.452 2.88 8 19.4 1.1
394 13 0 4 44.123 88.247 0.452 2.88 4 16.1 0.4
395 2 0 9 44.244 88.488 0.453 2.87 4 53.9 4.2
396 6 4 4 44.293 88.586 0.453 2.87 8 16.1 0.8
397 7 0 8 44.457 88.914 0.455 2.86 4 34.3 1.7
398 0 5 1 44.458 88.916 0.455 2.86 4 3.7 0.0
399 13 2 2 44.513 89.025 0.455 2.85 8 24.9 1.8
400 11 0 6 44.527 89.054 0.455 2.85 4 32.9 1.6
401 4 2 8 44.532 89.065 0.455 2.85 8 119.5 41.2
402 1 5 1 44.59 89.181 0.456 2.85 8 21.4 1.3
403 2 5 0 44.65 89.299 0.456 2.85 4 19.3 0.5
404 4 4 5 44.687 89.373 0.456 2.84 8 15.8 0.7
405 9 1 7 44.735 89.471 0.457 2.84 8 91.2 23.9
406 14 1 2 44.754 89.508 0.457 2.84 8 28.6 2.4
407 0 1 9 44.825 89.651 0.458 2.84 4 9.7 0.1
408 3 0 9 44.906 89.811 0.458 2.83 4 34.9 1.7
409 1 1 9 44.958 89.915 0.459 2.83 8 93.1 24.8
410 12 1 5 44.966 89.932 0.459 2.83 8 23.5 1.6
411 2 5 1 44.988 89.975 0.459 2.83 8 8.1 0.2
412 10 3 4 44.988 89.976 0.459 2.83 8 9.8 0.3
413 7 3 6 44.995 89.989 0.459 2.83 8 32.6 3.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 2 0 0 5.516 11.032 8.01355 130.5 15.9 16.1 5.6
2 0 0 2 8.834 17.668 5.01585 219.6 26.8 27.0 5.6
3 0 1 1 9.149 18.298 4.84445 12.7 1.6 1.6 5.6
4 1 0 2 9.26 18.52 4.7869 20.9 2.5 2.6 5.6
5 1 1 1 9.562 19.123 4.63724 50.0 6.1 6.2 5.6
6 2 0 2 10.438 20.876 4.25167 19.5 2.4 2.4 5.6
7 4 0 0 11.084 22.168 4.00677 118.7 14.5 14.6 5.6
8 4 0 1 11.947 23.895 3.72095 61.2 7.5 7.5 5.6
9 3 0 2 12.16 24.321 3.65673 101.5 12.4 12.4 5.6
10 3 1 1 12.394 24.789 3.5887 240.6 29.3 29.5 5.6
11 4 0 2 14.244 28.488 3.13056 105.0 12.8 12.8 5.6
12 2 0 3 14.454 28.908 3.086 104.8 12.8 12.8 5.6
13 5 0 1 14.612 29.224 3.05334 144.6 17.6 17.7 5.6
14 0 1 3 15.614 31.229 2.86176 820.3 100.0 100.0 5.6
15 1 1 3 15.868 31.736 2.8172 141.7 17.3 17.3 5.6
16 0 2 0 16.169 32.337 2.76615 321.6 39.2 39.2 5.6
17 5 0 2 16.57 33.14 2.70099 254.1 31.0 30.9 5.6
18 2 1 3 16.607 33.215 2.69506 74.8 9.1 9.1 5.6
19 5 1 1 16.747 33.494 2.67322 658.2 80.2 80.1 5.7
20 1 2 1 17.027 34.055 2.63047 23.4 2.9 2.8 5.7
21 2 2 0 17.133 34.266 2.61476 138.7 16.9 16.9 5.7
22 6 0 1 17.362 34.725 2.58124 13.4 1.6 1.6 5.7
23 2 2 1 17.724 35.448 2.53022 8.3 1.0 1.0 5.7
24 3 1 3 17.779 35.558 2.52263 192.2 23.4 23.3 5.7
25 0 0 4 17.887 35.774 2.50792 16.4 2.0 2.0 5.7
26 1 0 4 18.112 36.224 2.47777 45.7 5.6 5.5 5.7
27 5 1 2 18.503 37.006 2.42716 13.0 1.6 1.6 5.7
28 0 2 2 18.542 37.085 2.42223 58.4 7.1 7.1 5.7
29 1 2 2 18.761 37.521 2.39503 228.2 27.8 27.7 5.7
30 6 0 2 19.069 38.138 2.35769 11.9 1.4 1.4 5.7
31 6 1 1 19.226 38.452 2.33916 25.9 3.2 3.1 5.7
32 4 1 3 19.315 38.631 2.32877 125.2 15.3 15.2 5.7
33 2 2 2 19.403 38.806 2.31862 209.7 25.6 25.4 5.7
34 1 1 4 19.915 39.831 2.26133 13.1 1.6 1.6 5.7
35 7 0 1 20.187 40.373 2.23219 44.4 5.4 5.4 5.7
36 4 2 1 20.303 40.606 2.21993 98.1 12.0 11.9 5.7
37 3 2 2 20.436 40.872 2.20607 38.4 4.7 4.6 5.7
38 1 2 3 21.382 42.763 2.11281 54.1 6.6 6.5 5.7
39 3 1 4 21.516 43.031 2.10026 10.0 1.2 1.2 5.7
40 6 0 3 21.659 43.317 2.08704 77.1 9.4 9.3 5.7
41 2 2 3 21.96 43.92 2.05979 199.2 24.3 24.0 5.7
42 5 2 1 22.071 44.141 2.04999 183.3 22.3 22.1 5.7
43 8 0 0 22.612 45.224 2.00339 105.2 12.8 12.6 5.7
44 4 1 4 22.841 45.682 1.98438 21.6 2.6 2.6 5.7
45 3 2 3 22.898 45.796 1.97967 16.8 2.1 2.0 5.7
46 5 0 4 22.953 45.906 1.9752 48.9 6.0 5.9 5.7
47 8 0 1 23.084 46.168 1.96459 30.4 3.7 3.7 5.7
48 7 1 2 23.276 46.552 1.94928 42.8 5.2 5.1 5.7
49 2 0 5 23.314 46.628 1.94627 46.3 5.6 5.6 5.7
50 5 2 2 23.49 46.98 1.93251 110.1 13.4 13.2 5.7
51 7 0 3 24.063 48.125 1.88918 10.6 1.3 1.3 5.7
52 8 1 0 24.137 48.274 1.88368 24.2 3.0 2.9 5.7
53 8 0 2 24.458 48.916 1.86048 66.2 8.1 7.9 5.7
54 0 2 4 24.493 48.986 1.85797 10.0 1.2 1.2 5.7
55 1 2 4 24.668 49.336 1.84561 182.0 22.2 21.8 5.7
56 2 1 5 24.806 49.612 1.83597 44.1 5.4 5.3 5.7
57 2 2 4 25.187 50.375 1.80996 9.7 1.2 1.2 5.8
58 4 0 5 25.427 50.855 1.794 8.3 1.0 1.0 5.8
59 3 2 4 26.036 52.072 1.75487 23.9 2.9 2.9 5.8
60 6 1 4 26.341 52.681 1.73601 22.1 2.7 2.6 5.8
61 3 3 1 26.648 53.296 1.71743 31.2 3.8 3.7 5.8
62 4 1 5 26.832 53.664 1.70651 58.4 7.1 7.0 5.8
63 9 0 2 27.323 54.645 1.67816 13.7 1.7 1.6 5.8
64 9 1 1 27.442 54.884 1.67144 82.2 10.0 9.8 5.8
65 7 2 2 27.577 55.154 1.6639 77.3 9.4 9.2 5.8
66 5 1 5 28.284 56.568 1.62559 60.5 7.4 7.2 5.8
67 8 2 0 28.342 56.684 1.62254 30.4 3.7 3.6 5.8
68 0 3 3 28.49 56.98 1.61482 97.9 11.9 11.6 5.8
69 5 2 4 28.633 57.265 1.60746 217.2 26.5 25.7 5.8
70 9 1 2 28.663 57.326 1.6059 80.0 9.7 9.5 5.8
71 6 0 5 28.696 57.391 1.60422 24.4 3.0 2.9 5.8
72 3 0 6 28.865 57.729 1.59563 147.8 18.0 17.5 5.8
73 2 3 3 29.117 58.234 1.583 13.9 1.7 1.6 5.8
74 5 3 1 29.207 58.415 1.57854 90.4 11.0 10.7 5.8
75 3 3 3 29.889 59.778 1.54575 33.6 4.1 4.0 5.8
76 4 0 6 29.948 59.895 1.543 67.8 8.3 8.0 5.8
77 10 1 0 30.025 60.049 1.53941 80.0 9.7 9.4 5.8
78 10 1 1 30.413 60.826 1.5216 57.3 7.0 6.8 5.8
79 8 1 4 30.759 61.517 1.50616 12.7 1.6 1.5 5.8
80 6 3 1 30.887 61.774 1.50051 8.5 1.0 1.0 5.8
81 4 3 3 30.95 61.9 1.49776 18.6 2.3 2.2 5.8
82 9 2 1 31.341 62.682 1.48093 12.9 1.6 1.5 5.8
83 7 1 5 31.946 63.892 1.45578 13.7 1.7 1.6 5.9
84 9 0 4 32.039 64.079 1.45198 46.0 5.6 5.4 5.9
85 5 2 5 32.119 64.239 1.44876 9.5 1.2 1.1 5.9
86 10 0 3 32.206 64.412 1.44528 25.1 3.1 2.9 5.9
87 7 2 4 32.27 64.54 1.44271 133.7 16.3 15.7 5.9
88 9 2 2 32.471 64.941 1.43477 54.1 6.6 6.3 5.9
89 0 2 6 32.57 65.14 1.43088 29.2 3.6 3.4 5.9
90 1 2 6 32.715 65.431 1.42521 93.4 11.4 10.9 5.9
91 2 2 6 33.151 66.301 1.4086 12.6 1.5 1.5 5.9
92 11 0 2 33.403 66.806 1.39917 15.7 1.9 1.8 5.9
93 10 2 0 33.742 67.484 1.38675 23.5 2.9 2.7 5.9
94 0 4 0 33.844 67.688 1.38307 244.1 29.8 28.5 5.9
95 2 1 7 34.298 68.595 1.36698 11.5 1.4 1.3 5.9
96 8 2 4 34.432 68.864 1.36229 10.9 1.3 1.3 5.9
97 11 1 2 34.601 69.202 1.35646 14.7 1.8 1.7 5.9
98 5 3 4 34.851 69.703 1.34794 14.8 1.8 1.7 5.9
99 2 3 5 35.129 70.258 1.33864 14.8 1.8 1.7 5.9
100 10 2 2 35.19 70.381 1.33661 124.4 15.2 14.4 5.9
101 9 0 5 35.335 70.67 1.33184 13.2 1.6 1.5 5.9
102 5 0 7 36.069 72.139 1.3083 12.7 1.5 1.5 5.9
103 5 2 6 36.123 72.247 1.30661 26.3 3.2 3.0 5.9
104 6 3 4 36.389 72.778 1.29838 8.6 1.0 1.0 6.0
105 4 3 5 36.8 73.6 1.2859 23.6 2.9 2.7 6.0
106 10 2 3 36.965 73.93 1.28097 87.4 10.7 10.1 6.0
107 11 2 1 37.045 74.09 1.2786 27.0 3.3 3.1 6.0
108 5 1 7 37.229 74.458 1.27318 12.6 1.5 1.5 6.0
109 9 3 1 37.315 74.629 1.27069 26.2 3.2 3.0 6.0
110 1 2 7 37.391 74.782 1.26847 14.9 1.8 1.7 6.0
111 4 4 2 37.507 75.015 1.26511 10.9 1.3 1.2 6.0
112 6 2 6 37.64 75.28 1.26131 62.6 7.6 7.2 6.0
113 5 4 1 37.691 75.382 1.25985 26.2 3.2 3.0 6.0
114 0 0 8 37.899 75.799 1.25396 18.6 2.3 2.1 6.0
115 10 0 5 37.961 75.923 1.25223 10.8 1.3 1.2 6.0
116 5 3 5 38.034 76.068 1.25019 23.9 2.9 2.7 6.0
117 9 3 2 38.361 76.721 1.24117 34.8 4.2 4.0 6.0
118 2 0 8 38.444 76.888 1.23889 25.1 3.1 2.9 6.0
119 5 4 2 38.734 77.468 1.23106 66.8 8.1 7.6 6.0
120 6 4 0 38.841 77.682 1.2282 31.3 3.8 3.6 6.0
121 10 2 4 39.399 78.798 1.21358 27.3 3.3 3.1 6.0
122 10 3 0 39.55 79.101 1.20969 43.7 5.3 5.0 6.0
123 1 4 4 39.63 79.259 1.20767 9.7 1.2 1.1 6.0
124 11 2 3 39.821 79.642 1.20283 21.2 2.6 2.4 6.0
125 10 3 1 39.894 79.788 1.20099 33.5 4.1 3.8 6.0
126 9 2 5 39.934 79.868 1.19999 30.4 3.7 3.5 6.0
127 6 4 2 40.217 80.435 1.19296 10.1 1.2 1.1 6.0
128 7 1 7 40.482 80.963 1.1865 12.8 1.6 1.5 6.1
129 5 2 7 40.639 81.279 1.18269 52.3 6.4 5.9 6.1
130 7 3 5 41.268 82.537 1.16782 9.3 1.1 1.0 6.1
131 6 4 3 41.923 83.845 1.1529 16.8 2.1 1.9 6.1
132 6 2 7 42.107 84.214 1.14878 9.9 1.2 1.1 6.1
133 8 1 7 42.482 84.965 1.14054 8.8 1.1 1.0 6.1
134 8 4 0 42.591 85.182 1.13819 21.8 2.7 2.5 6.1
135 10 1 6 42.857 85.713 1.13249 22.8 2.8 2.6 6.1
136 12 2 3 42.891 85.782 1.13175 14.2 1.7 1.6 6.1
137 8 4 1 42.93 85.86 1.13093 8.3 1.0 0.9 6.1
138 2 4 5 43.097 86.194 1.1274 9.5 1.2 1.1 6.1
139 14 1 0 43.402 86.804 1.12104 39.0 4.8 4.4 6.1
140 9 0 7 43.624 87.248 1.11647 10.0 1.2 1.1 6.2
141 12 0 5 43.855 87.71 1.11178 27.5 3.4 3.1 6.2
142 8 4 2 43.945 87.89 1.10997 9.9 1.2 1.1 6.2
143 4 2 8 44.532 89.065 1.09834 44.6 5.4 5.0 6.2
144 9 1 7 44.735 89.471 1.0944 26.3 3.2 2.9 6.2
145 1 1 9 44.958 89.915 1.09015 26.8 3.3 3.0 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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