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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EPIDOTE
9, t-epidote, syn, f-epidote, s-epidote
Ca(2)Al(2)(Fe,Mn)Si(3)O(12)(OH)
Monoclinic P 2(1)/m Z = 2
P2(1)/m
1 .8 .13
Ref.Str.:
Nagashima M., Akasada M. (2010)
* Amer. Mineral., 95, 1237-1246
R: N.A.D
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.898 alpha = 90.0
b = 5.6549 beta = 115.43
c = 10.1752 gamma = 90.0
Unit cell volume (cub. angs.) = 462.39
Molar volume ( cub.cm/mol.) = 139.26
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7541 0.75 0.1498 0.0 Ca = 1.00
2 0.6057 0.75 0.4247 0.0 Ca = 1.00
3 0.0 0.0 0.0 0.0 Al = 0.9 , Fe = 0.08, Mn = 0.02
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.2948 0.25 0.2245 0.0 Fe = 0.5 , Al = 0.31, Mn = 0.19
6 0.3399 0.75 0.0475 0.0 Si = 1.00
7 0.6812 0.25 0.2726 0.0 Si = 1.00
8 0.1873 0.75 0.3225 0.0 Si = 1.00
9 0.2311 0.988 0.0362 0.0 O = 1.00
10 0.3077 0.978 0.357 0.0 O = 1.00
11 0.8011 0.019 0.3476 0.0 O = 1.00
12 0.055 0.25 0.14 0.0 O = 1.00
13 0.0379 0.75 0.1464 0.0 O = 1.00
14 0.0535 0.75 0.402 0.0 O = 1.00
15 0.5207 0.75 0.1782 0.0 O = 1.00
16 0.5222 0.25 0.3076 0.0 O = 1.00
17 0.622 0.25 0.098 0.0 O = 1.00
18 0.076 0.25 0.429 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7541 0.75 0.1498
2 2 0.6057 0.75 0.4247
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.2948 0.25 0.2245
6 6 0.3399 0.75 0.0475
7 7 0.6812 0.25 0.2726
8 8 0.1873 0.75 0.3225
9 9 0.2311 0.988 0.0362
10 10 0.3077 0.978 0.357
11 11 0.8011 0.019 0.3476
12 12 0.055 0.25 0.14
13 13 0.0379 0.75 0.1464
14 14 0.0535 0.75 0.402
15 15 0.5207 0.75 0.1782
16 16 0.5222 0.25 0.3076
17 17 0.622 0.25 0.098
18 18 0.076 0.25 0.429
19 1 0.2459 0.25 0.8502
20 2 0.3943 0.25 0.5753
21 3 0.0 0.5 0.0
22 4 0.0 0.5 0.5
23 5 0.7052 0.75 0.7755
24 6 0.6601 0.25 0.9525
25 7 0.3188 0.75 0.7274
26 8 0.8127 0.25 0.6775
27 9 0.7689 0.488 0.9638
28 10 0.6923 0.478 0.643
29 11 0.1989 0.519 0.6524
30 12 0.945 0.75 0.86
31 13 0.9621 0.25 0.8536
32 14 0.9465 0.25 0.598
33 15 0.4793 0.25 0.8218
34 16 0.4778 0.75 0.6924
35 17 0.378 0.75 0.902
36 18 0.924 0.75 0.571
37 9 0.2311 0.512 0.0362
38 10 0.3077 0.522 0.357
39 11 0.8011 0.481 0.3476
40 9 0.7689 0.012 0.9638
41 10 0.6923 0.022 0.643
42 11 0.1989 0.981 0.6524
X-ray density (g/cm cub.) = 3.42
MU (1/cm) = 267.32 Mass attenuation coefficient (cm**2/g) = 78.057
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.928 7
2.4118 11
2.5403 13
2.7949 14
2.2163 15
2.4512 9
2.4118 11
2.4512 9
2 Ca 2.928 8
2.7567 10
2.669 11
2.2878 15
2.5345 10
2.5723 18
2.7567 10
2.669 11
2.5345 10
3 Al ,Fe ,Mn 2.772 6
1.9283 9
1.9154 12
1.9748 13
1.9154 12
1.9748 13
1.9283 9
4 Al 2.364 6
1.7865 11
1.9045 14
1.8432 18
1.9045 14
1.8432 18
1.7865 11
5 Fe ,Al ,Mn 2.772 6
2.2923 9
2.0159 10
1.9279 12
1.8275 16
2.2923 9
2.0159 10
6 Si 2.148 4
1.6329 9
1.5873 15
1.6546 17
1.6329 9
7 Si 2.148 4
1.6516 11
1.6004 16
1.6218 17
1.6516 11
8 Si 2.148 4
1.6157 10
1.7124 13
1.7026 14
1.6157 10
9 O 3.312 10
3.0352 10
2.6809 12
2.7712 13
2.7096 15
3.223 16
2.7544 12
2.7491 13
2.6301 17
2.9632 9
2.6917 9
10 O 3.312 8
3.0352 9
2.8343 12
2.7568 13
2.8067 14
2.6618 16
2.9069 18
3.0763 10
2.5786 10
11 O 3.312 9
2.5684 14
2.7959 15
2.6764 16
2.6871 17
2.576 18
2.6535 14
2.5578 18
2.6126 11
3.0423 11
12 O 3.312 10
2.6809 9
2.8343 10
2.8338 13
2.8338 13
2.8654 18
2.7544 9
2.6659 13
2.6809 9
2.8343 10
2.7544 9
13 O 3.312 10
2.7712 9
2.7568 10
2.8338 12
2.8338 12
2.5443 14
2.7491 9
2.6659 12
2.7712 9
2.7568 10
2.7491 9
14 O 3.312 10
2.8067 10
2.5684 11
2.5443 13
2.8395 18
2.8395 18
2.6535 11
2.4467 18
2.8067 10
2.5684 11
2.6535 11
15 O 3.312 9
2.7096 9
2.7959 11
3.1166 16
3.1166 16
3.1788 17
3.1788 17
2.5389 17
2.7096 9
2.7959 11
16 O 3.312 9
3.223 9
2.6618 10
2.6764 11
3.1166 15
3.1166 15
2.6388 17
3.223 9
2.6618 10
2.6764 11
17 O 3.312 8
2.6871 11
3.1788 15
3.1788 15
2.6388 16
2.6301 9
2.5389 15
2.6871 11
2.6301 9
18 OH 3.36 10
2.9069 10
2.576 11
2.8654 12
2.8395 14
2.8395 14
2.5578 11
2.4467 14
2.9069 10
2.576 11
2.5578 11
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 0 1 5.586 11.171 0.054 208.13 2 7.4 10.7
2 1 0 0 6.391 12.781 0.062 158.47 2 14.7 32.0
3 1 0 -1 6.435 12.869 0.063 156.28 2 11.6 19.6
4 1 0 1 10.168 20.337 0.099 61.26 2 12.1 8.4
5 1 0 -2 10.252 20.505 0.099 60.22 2 56.8 181.8
6 0 1 1 10.703 21.407 0.104 55.08 4 4.3 1.9
7 1 1 0 11.152 22.304 0.108 50.57 4 12.8 15.6
8 1 1 -1 11.178 22.355 0.108 50.33 4 16.2 24.6
9 0 0 2 11.225 22.451 0.109 49.88 2 3.6 0.6
10 2 0 -1 11.599 23.197 0.112 46.59 2 0.8 0.0
11 2 0 0 12.863 25.725 0.124 37.5 2 53.5 100.5
12 2 0 -2 12.952 25.904 0.125 36.95 2 63.1 137.8
13 1 1 1 13.712 27.423 0.133 32.75 4 24.2 35.8
14 1 1 -2 13.775 27.55 0.133 32.43 4 17.6 18.8
15 0 1 2 14.527 29.053 0.14 28.97 4 1.3 0.1
16 2 1 -1 14.822 29.644 0.143 27.75 4 63.2 207.1
17 1 0 2 15.217 30.434 0.147 26.23 2 56.4 78.1
18 1 0 -3 15.313 30.626 0.148 25.87 2 14.7 5.2
19 2 1 0 15.848 31.696 0.153 24.03 4 9.5 4.0
20 2 1 -2 15.922 31.844 0.153 23.79 4 7.9 2.8
21 2 0 1 16.179 32.358 0.156 22.98 2 55.1 65.3
22 2 0 -3 16.324 32.648 0.157 22.54 2 17.3 6.3
23 0 0 3 16.978 33.956 0.163 20.7 2 33.9 22.3
24 3 0 -1 17.762 35.524 0.171 18.76 2 14.5 3.7
25 3 0 -2 17.812 35.625 0.171 18.64 2 73.3 93.6
26 1 1 2 17.845 35.691 0.171 18.57 4 14.0 6.8
27 1 1 -3 17.929 35.858 0.172 18.38 4 140.3 677.0
28 0 2 0 18.442 36.884 0.177 17.27 2 128.5 266.6
29 2 1 1 18.687 37.374 0.179 16.78 4 42.4 56.6
30 2 1 -3 18.816 37.631 0.18 16.53 4 29.0 26.0
31 0 2 1 19.329 38.657 0.185 15.57 4 11.4 3.8
32 0 1 3 19.396 38.792 0.186 15.45 4 89.9 233.4
33 3 0 0 19.507 39.014 0.187 15.26 2 97.4 135.3
34 1 2 0 19.594 39.189 0.187 15.11 4 72.4 148.0
35 1 2 -1 19.61 39.22 0.188 15.08 4 9.0 2.3
36 3 0 -3 19.646 39.292 0.188 15.02 2 16.7 3.9
37 3 1 -1 20.098 40.197 0.192 14.28 4 100.2 268.1
38 3 1 -2 20.144 40.287 0.193 14.21 4 17.7 8.4
39 2 0 2 20.676 41.352 0.197 13.4 2 85.7 92.1
40 1 0 3 20.754 41.508 0.198 13.29 2 0.6 0.0
41 2 0 -4 20.853 41.705 0.199 13.15 2 15.9 3.1
42 1 0 -4 20.857 41.714 0.199 13.15 2 42.4 22.1
43 1 2 1 21.24 42.48 0.203 12.62 4 12.1 3.5
44 1 2 -2 21.283 42.567 0.203 12.56 4 54.0 68.5
45 3 1 0 21.684 43.368 0.207 12.05 4 14.2 4.5
46 0 2 2 21.805 43.61 0.208 11.9 4 88.9 176.0
47 3 1 -3 21.812 43.623 0.208 11.89 4 95.7 203.9
48 2 2 -1 22.014 44.028 0.21 11.65 4 36.0 28.3
49 3 0 1 22.697 45.394 0.216 10.87 2 18.9 3.6
50 2 2 0 22.757 45.514 0.216 10.81 4 13.4 3.6
51 2 1 2 22.761 45.523 0.216 10.8 4 23.2 10.9
52 2 2 -2 22.812 45.623 0.217 10.75 4 59.6 71.5
53 1 1 3 22.834 45.667 0.217 10.72 4 44.6 40.0
54 3 0 -4 22.902 45.804 0.218 10.65 2 30.1 9.0
55 0 0 4 22.913 45.827 0.218 10.64 2 11.5 1.3
56 2 1 -4 22.925 45.85 0.218 10.63 4 34.1 23.1
57 1 1 -4 22.929 45.858 0.218 10.62 4 32.9 21.5
58 4 0 -2 23.71 47.42 0.225 9.85 2 21.8 4.4
59 1 2 2 24.271 48.543 0.23 9.34 4 12.8 2.8
60 1 2 -3 24.336 48.673 0.23 9.28 4 52.5 47.8
61 4 0 -1 24.387 48.774 0.231 9.24 2 111.6 107.7
62 4 0 -3 24.491 48.981 0.232 9.15 2 34.8 10.3
63 3 1 1 24.647 49.293 0.233 9.02 4 8.0 1.1
64 3 1 -4 24.839 49.679 0.235 8.86 4 11.9 2.4
65 0 1 4 24.85 49.7 0.235 8.85 4 20.9 7.2
66 2 2 1 24.933 49.867 0.236 8.78 4 86.9 124.1
67 2 2 -3 25.035 50.07 0.237 8.7 4 84.1 115.1
68 0 2 3 25.5 51.001 0.241 8.35 4 81.0 102.4
69 4 1 -2 25.601 51.202 0.242 8.27 4 18.8 5.5
70 2 0 3 25.889 51.778 0.244 8.06 2 73.9 41.2
71 3 2 -1 26.071 52.141 0.246 7.94 4 28.2 11.8
72 2 0 -5 26.087 52.175 0.246 7.92 2 17.2 2.2
73 3 2 -2 26.108 52.215 0.246 7.91 4 20.7 6.4
74 4 1 -1 26.242 52.483 0.247 7.82 4 1.7 0.0
75 4 1 -3 26.34 52.68 0.248 7.75 4 1.0 0.0
76 4 0 0 26.438 52.876 0.249 7.69 2 75.8 41.3
77 4 0 -4 26.633 53.266 0.251 7.56 2 22.0 3.4
78 1 0 4 26.65 53.3 0.251 7.55 2 24.8 4.4
79 1 0 -5 26.76 53.519 0.252 7.48 2 42.3 12.5
80 3 0 2 26.937 53.874 0.253 7.37 2 13.5 1.3
81 3 0 -5 27.19 54.38 0.255 7.21 2 38.1 9.8
82 3 2 0 27.386 54.771 0.257 7.09 4 26.0 9.0
83 3 2 -3 27.493 54.986 0.258 7.03 4 16.2 3.5
84 2 1 3 27.671 55.343 0.26 6.93 4 46.3 27.8
85 2 1 -5 27.861 55.721 0.261 6.82 4 3.6 0.2
86 4 1 0 28.196 56.392 0.264 6.64 4 1.6 0.0
87 2 2 2 28.299 56.598 0.265 6.58 4 74.4 68.1
88 1 2 3 28.361 56.721 0.266 6.55 4 23.5 6.8
89 4 1 -4 28.383 56.766 0.266 6.54 4 1.4 0.0
90 1 1 4 28.399 56.799 0.266 6.53 4 47.1 27.1
91 2 2 -4 28.439 56.878 0.266 6.51 4 88.3 94.9
92 1 2 -4 28.442 56.885 0.266 6.51 4 57.3 40.0
93 1 1 -5 28.504 57.009 0.267 6.48 4 41.0 20.4
94 3 1 2 28.675 57.349 0.268 6.39 4 44.7 23.9
95 3 1 -5 28.917 57.835 0.27 6.27 4 8.2 0.8
96 0 3 1 28.973 57.947 0.271 6.24 4 0.7 0.0
97 0 0 5 29.122 58.245 0.272 6.17 2 27.4 4.3
98 1 3 0 29.17 58.34 0.272 6.15 4 34.6 13.7
99 1 3 -1 29.181 58.363 0.273 6.14 4 11.6 1.5
100 4 0 1 29.662 59.325 0.277 5.92 2 22.9 2.9
101 3 2 1 29.931 59.863 0.279 5.8 4 25.2 6.9
102 4 0 -5 29.934 59.868 0.279 5.8 2 9.0 0.4
103 3 2 -4 30.1 60.201 0.28 5.73 4 2.5 0.1
104 0 2 4 30.11 60.22 0.28 5.73 4 36.8 14.5
105 5 0 -2 30.303 60.605 0.282 5.65 2 73.2 28.3
106 5 0 -3 30.359 60.717 0.283 5.62 2 32.4 5.5
107 1 3 1 30.418 60.835 0.283 5.6 4 26.3 7.3
108 1 3 -2 30.451 60.902 0.283 5.58 4 18.5 3.6
109 4 2 -2 30.773 61.545 0.286 5.46 4 36.1 13.3
110 0 1 5 30.779 61.559 0.286 5.45 4 43.4 19.3
111 0 3 2 30.857 61.715 0.287 5.42 4 2.5 0.1
112 2 3 -1 31.021 62.043 0.288 5.36 4 51.0 26.0
113 4 1 1 31.302 62.604 0.29 5.25 4 12.9 1.6
114 4 2 -1 31.343 62.685 0.291 5.24 4 20.6 4.2
115 4 2 -3 31.431 62.861 0.291 5.21 4 24.3 5.7
116 5 0 -1 31.479 62.959 0.292 5.19 2 9.9 0.5
117 4 1 -5 31.565 63.131 0.293 5.16 4 63.7 39.1
118 2 3 0 31.611 63.221 0.293 5.14 4 9.3 0.8
119 5 0 -4 31.644 63.287 0.293 5.13 2 26.3 3.3
120 2 3 -2 31.654 63.309 0.293 5.13 4 6.8 0.4
121 2 0 4 31.665 63.33 0.293 5.12 2 39.8 7.6
122 2 0 -6 31.883 63.766 0.295 5.05 2 61.3 17.8
123 5 1 -2 31.923 63.846 0.296 5.03 4 47.7 21.4
124 5 1 -3 31.977 63.955 0.296 5.01 4 40.7 15.5
125 3 0 3 31.98 63.96 0.296 5.01 2 26.5 3.3
126 3 0 -6 32.273 64.546 0.298 4.91 2 77.4 27.6
127 2 2 3 32.628 65.257 0.301 4.8 4 3.2 0.1
128 2 2 -5 32.8 65.6 0.303 4.75 4 19.7 3.4
129 1 3 2 32.839 65.678 0.303 4.73 4 6.1 0.3
130 1 3 -3 32.892 65.785 0.304 4.72 4 89.9 71.3
131 1 0 5 32.945 65.891 0.304 4.7 2 41.0 7.4
132 1 0 -6 33.063 66.126 0.305 4.67 2 135.9 80.6
133 5 1 -1 33.067 66.134 0.305 4.66 4 101.2 89.4
134 4 2 0 33.105 66.209 0.305 4.65 4 41.0 14.6
135 5 1 -4 33.227 66.454 0.306 4.62 4 27.4 6.5
136 2 1 4 33.248 66.496 0.306 4.61 4 42.4 15.5
137 4 2 -4 33.275 66.55 0.307 4.6 4 113.3 110.6
138 1 2 4 33.29 66.58 0.307 4.6 4 72.8 45.6
139 1 2 -5 33.386 66.771 0.308 4.57 4 4.0 0.1
140 2 3 1 33.386 66.773 0.308 4.57 4 33.5 9.6
141 2 1 -6 33.46 66.921 0.308 4.55 4 34.0 9.9
142 2 3 -3 33.471 66.943 0.308 4.55 4 19.1 3.1
143 3 2 2 33.541 67.083 0.309 4.53 4 62.5 33.1
144 3 1 3 33.555 67.11 0.309 4.52 4 26.7 6.0
145 3 2 -5 33.763 67.527 0.311 4.46 4 8.8 0.6
146 5 0 0 33.816 67.633 0.311 4.45 2 25.9 2.8
147 3 1 -6 33.841 67.681 0.311 4.44 4 5.9 0.3
148 0 3 3 33.86 67.721 0.311 4.44 4 67.8 38.2
149 4 0 2 33.867 67.735 0.312 4.43 2 1.6 0.0
150 5 0 -5 34.08 68.159 0.313 4.38 2 19.1 1.5
151 4 0 -6 34.204 68.408 0.314 4.34 2 142.8 82.9
152 3 3 -1 34.342 68.683 0.315 4.31 4 90.2 65.6
153 3 3 -2 34.373 68.746 0.316 4.3 4 29.7 7.1
154 1 1 5 34.498 68.996 0.317 4.27 4 69.6 38.6
155 1 1 -6 34.613 69.226 0.318 4.24 4 20.1 3.2
156 5 1 0 35.35 70.701 0.323 4.06 4 55.0 23.0
157 4 1 2 35.4 70.801 0.324 4.05 4 74.5 42.0
158 3 3 0 35.467 70.934 0.324 4.04 4 23.3 4.1
159 0 2 5 35.483 70.965 0.324 4.03 4 3.5 0.1
160 3 3 -3 35.56 71.12 0.325 4.02 4 65.2 31.9
161 5 1 -5 35.608 71.217 0.325 4.0 4 21.1 3.3
162 4 1 -6 35.73 71.461 0.326 3.98 4 5.2 0.2
163 0 0 6 35.733 71.466 0.326 3.98 2 40.6 6.1
164 4 2 1 35.97 71.94 0.328 3.93 4 3.0 0.1
165 4 2 -5 36.216 72.432 0.33 3.87 4 48.7 17.2
166 2 3 2 36.262 72.523 0.331 3.86 4 18.9 2.6
167 1 3 3 36.316 72.631 0.331 3.85 4 20.0 2.9
168 2 3 -4 36.384 72.769 0.332 3.84 4 19.7 2.8
169 1 3 -4 36.387 72.774 0.332 3.84 4 15.4 1.7
170 5 2 -2 36.551 73.102 0.333 3.81 4 25.6 4.7
171 5 2 -3 36.602 73.204 0.333 3.8 4 4.7 0.2
172 6 0 -3 37.097 74.194 0.337 3.7 2 54.5 10.3
173 5 0 1 37.211 74.422 0.338 3.68 2 9.6 0.3
174 0 1 6 37.233 74.465 0.338 3.68 4 3.1 0.1
175 5 0 -6 37.565 75.13 0.341 3.62 2 45.5 7.0
176 6 0 -2 37.599 75.198 0.341 3.61 2 14.6 0.7
177 5 2 -1 37.629 75.257 0.341 3.61 4 31.5 6.7
178 3 3 1 37.706 75.411 0.342 3.59 4 5.9 0.2
179 6 0 -4 37.72 75.44 0.342 3.59 2 86.4 25.1
180 3 0 4 37.745 75.491 0.342 3.59 2 60.0 12.1
181 5 2 -4 37.78 75.56 0.342 3.58 4 115.3 89.0
182 2 2 4 37.8 75.599 0.343 3.58 4 59.5 23.7
183 3 3 -4 37.857 75.714 0.343 3.57 4 5.9 0.2
184 0 3 4 37.865 75.73 0.343 3.57 4 15.4 1.6
185 2 2 -6 38.001 76.002 0.344 3.54 4 61.7 25.2
186 2 0 5 38.024 76.048 0.344 3.54 2 9.8 0.3
187 3 0 -7 38.078 76.155 0.345 3.53 2 4.2 0.1
188 3 2 3 38.091 76.182 0.345 3.53 4 36.8 8.9
189 2 0 -7 38.265 76.531 0.346 3.5 2 31.1 3.2
190 3 2 -6 38.362 76.724 0.347 3.49 4 96.6 60.9
191 4 3 -2 38.461 76.922 0.348 3.47 4 7.8 0.4
192 6 1 -3 38.577 77.153 0.349 3.45 4 17.0 1.9
193 5 1 1 38.689 77.378 0.349 3.44 4 24.9 4.0
194 4 0 3 38.947 77.894 0.351 3.4 2 53.9 9.2
195 4 3 -1 38.977 77.955 0.352 3.39 4 3.6 0.1
196 1 2 5 38.988 77.976 0.352 3.39 4 13.1 1.1
197 5 1 -6 39.039 78.077 0.352 3.38 4 5.3 0.2
198 4 3 -3 39.057 78.114 0.352 3.38 4 4.8 0.1
199 6 1 -2 39.072 78.145 0.352 3.38 4 26.6 4.5
200 1 2 -6 39.098 78.195 0.353 3.38 4 28.2 5.0
201 6 1 -4 39.192 78.384 0.353 3.36 4 20.4 2.6
202 6 0 -1 39.212 78.423 0.353 3.36 2 14.7 0.7
203 3 1 4 39.217 78.434 0.353 3.36 4 2.0 0.0
204 0 4 0 39.249 78.499 0.354 3.35 2 229.1 164.7
205 4 0 -7 39.346 78.691 0.354 3.34 2 8.1 0.2
206 6 0 -5 39.451 78.901 0.355 3.33 2 36.3 4.1
207 2 1 5 39.492 78.985 0.356 3.32 4 73.8 33.9
208 3 1 -7 39.545 79.091 0.356 3.31 4 36.9 8.4
209 2 1 -7 39.731 79.462 0.357 3.29 4 40.9 10.3
210 1 0 6 39.773 79.546 0.358 3.28 2 14.9 0.7
211 0 4 1 39.802 79.605 0.358 3.28 4 6.3 0.2
212 5 2 0 39.804 79.607 0.358 3.28 4 52.8 17.1
213 4 2 2 39.852 79.704 0.358 3.27 4 137.7 116.1
214 1 0 -7 39.902 79.804 0.359 3.27 2 38.0 4.4
215 1 4 0 39.972 79.944 0.359 3.26 4 7.3 0.3
216 1 4 -1 39.982 79.964 0.359 3.26 4 7.4 0.3
217 5 2 -5 40.052 80.103 0.36 3.25 4 10.2 0.6
218 2 3 3 40.154 80.307 0.36 3.24 4 36.1 7.9
219 4 2 -6 40.169 80.338 0.361 3.23 4 35.0 7.4
220 2 3 -5 40.312 80.624 0.362 3.22 4 8.3 0.4
221 4 1 3 40.406 80.811 0.362 3.21 4 3.9 0.1
222 4 3 0 40.594 81.187 0.364 3.18 4 0.1 0.0
223 6 1 -1 40.668 81.336 0.364 3.17 4 41.9 10.5
224 4 3 -4 40.752 81.503 0.365 3.17 4 6.5 0.2
225 1 3 4 40.765 81.531 0.365 3.16 4 47.9 13.6
226 4 1 -7 40.801 81.602 0.365 3.16 4 32.5 6.2
227 1 3 -5 40.854 81.709 0.366 3.15 4 32.0 6.1
228 6 1 -5 40.905 81.81 0.366 3.15 4 7.1 0.3
229 3 3 2 40.999 81.998 0.367 3.14 4 19.8 2.3
230 1 4 1 41.061 82.123 0.367 3.13 4 6.2 0.2
231 1 4 -2 41.091 82.182 0.367 3.13 4 32.7 6.3
232 3 3 -5 41.206 82.411 0.368 3.12 4 16.7 1.6
233 1 1 6 41.225 82.449 0.368 3.11 4 0.3 0.0
234 1 1 -7 41.353 82.705 0.369 3.1 4 0.9 0.0
235 0 4 2 41.45 82.9 0.37 3.09 4 2.6 0.0
236 5 0 2 41.592 83.184 0.371 3.08 2 86.0 21.3
237 2 4 -1 41.596 83.192 0.371 3.08 4 1.0 0.0
238 0 2 6 41.62 83.24 0.371 3.07 4 66.7 25.6
239 6 0 0 41.9 83.801 0.373 3.05 2 35.9 3.7
240 5 0 -7 42.034 84.068 0.374 3.04 2 8.6 0.2
241 2 4 0 42.122 84.245 0.375 3.03 4 29.8 5.0
242 2 4 -2 42.162 84.323 0.375 3.02 4 35.7 7.2
243 6 0 -6 42.254 84.507 0.376 3.02 2 12.1 0.4
244 0 3 5 42.822 85.644 0.38 2.97 4 38.5 8.2
245 6 2 -3 42.929 85.858 0.381 2.96 4 45.7 11.6
246 0 0 7 42.949 85.898 0.381 2.96 2 21.2 1.2
247 5 1 2 43.032 86.064 0.381 2.95 4 21.6 2.6
248 5 2 1 43.039 86.078 0.382 2.95 4 25.9 3.7
249 1 4 2 43.234 86.468 0.383 2.94 4 34.1 6.4
250 1 4 -3 43.283 86.566 0.383 2.93 4 10.8 0.6
251 4 3 1 43.285 86.57 0.383 2.93 4 13.1 0.9
252 6 1 0 43.339 86.678 0.384 2.93 4 23.2 2.9
253 5 2 -6 43.381 86.762 0.384 2.93 4 41.1 9.3
254 6 2 -2 43.414 86.828 0.384 2.92 4 70.7 27.4
255 5 1 -7 43.472 86.944 0.385 2.92 4 4.0 0.1
256 4 3 -5 43.52 87.04 0.385 2.92 4 55.0 16.5
257 6 2 -4 43.532 87.063 0.385 2.92 4 65.6 23.4
258 3 2 4 43.556 87.112 0.385 2.91 4 7.5 0.3
259 6 1 -6 43.691 87.382 0.386 2.9 4 23.2 2.9
260 2 4 1 43.736 87.472 0.386 2.9 4 37.2 7.5
261 2 4 -3 43.814 87.628 0.387 2.9 4 2.9 0.0
262 2 2 5 43.826 87.653 0.387 2.9 4 38.0 7.8
263 5 3 -2 43.84 87.68 0.387 2.89 4 49.6 13.3
264 3 2 -7 43.879 87.757 0.387 2.89 4 14.4 1.1
265 5 3 -3 43.889 87.778 0.388 2.89 4 29.0 4.5
266 2 2 -7 44.061 88.122 0.389 2.88 4 12.4 0.8
267 0 4 3 44.173 88.347 0.39 2.87 4 14.6 1.1
268 3 0 5 44.307 88.615 0.39 2.87 2 71.2 13.6
269 0 1 7 44.384 88.768 0.391 2.86 4 51.0 13.9
270 3 4 -1 44.62 89.24 0.393 2.85 4 10.0 0.5
271 3 4 -2 44.649 89.299 0.393 2.85 4 51.7 14.2
272 3 0 -8 44.688 89.376 0.393 2.84 2 89.6 21.4
273 4 2 3 44.726 89.452 0.393 2.84 4 69.5 25.7
274 7 0 -3 44.826 89.651 0.394 2.84 2 27.7 2.0
275 5 3 -1 44.877 89.754 0.394 2.83 4 99.7 52.7
276 7 0 -4 44.894 89.788 0.395 2.83 2 24.6 1.6
277 4 0 4 44.924 89.848 0.395 2.83 2 62.1 10.2
278 6 2 -1 44.985 89.97 0.395 2.83 4 45.9 11.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 0 0 1 5.586 11.171 9.18948 10.7 1.6 1.6 5.6
2 1 0 0 6.391 12.781 8.03601 32.0 4.7 4.8 5.6
3 1 0 -1 6.435 12.869 7.98132 19.6 2.9 2.9 5.6
4 1 0 1 10.168 20.337 5.06656 8.4 1.2 1.3 5.6
5 1 0 -2 10.252 20.505 5.02552 181.8 26.9 27.2 5.6
6 1 1 -1 11.178 22.355 4.61414 40.3 5.9 6.0 5.6
7 2 0 0 12.863 25.725 4.01801 100.5 14.8 15.0 5.6
8 2 0 -2 12.952 25.904 3.99066 137.8 20.4 20.5 5.6
9 1 1 1 13.712 27.423 3.77352 35.8 5.3 5.3 5.6
10 1 1 -2 13.775 27.55 3.75647 18.8 2.8 2.8 5.6
11 2 1 -1 14.822 29.644 3.49649 207.1 30.6 30.8 5.6
12 1 0 2 15.217 30.434 3.40779 78.1 11.5 11.6 5.6
13 2 0 1 16.179 32.358 3.21013 65.3 9.7 9.7 5.6
14 0 0 3 16.978 33.956 3.06316 22.3 3.3 3.3 5.7
15 3 0 -2 17.812 35.625 2.92401 93.6 13.8 13.8 5.7
16 1 1 2 17.845 35.691 2.91877 6.8 1.0 1.0 5.7
17 1 1 -3 17.929 35.858 2.90562 677.0 100.0 100.0 5.7
18 0 2 0 18.442 36.884 2.82745 266.6 39.4 39.3 5.7
19 2 1 1 18.687 37.374 2.79168 56.6 8.4 8.3 5.7
20 2 1 -3 18.816 37.631 2.77333 26.0 3.8 3.8 5.7
21 0 1 3 19.396 38.792 2.6934 233.4 34.5 34.4 5.7
22 3 0 0 19.507 39.014 2.67867 135.3 20.0 19.9 5.7
23 1 2 0 19.594 39.189 2.66717 150.3 22.2 22.1 5.7
24 3 1 -1 20.098 40.197 2.60295 268.1 39.6 39.4 5.7
25 3 1 -2 20.144 40.287 2.59733 8.4 1.2 1.2 5.7
26 2 0 2 20.676 41.352 2.53328 92.1 13.6 13.5 5.7
27 1 0 -4 20.857 41.714 2.51229 25.2 3.7 3.7 5.7
28 1 2 -2 21.283 42.567 2.46421 68.5 10.1 10.0 5.7
29 3 1 -3 21.812 43.623 2.40733 379.9 56.1 55.7 5.7
30 2 2 -1 22.014 44.028 2.38629 28.3 4.2 4.1 5.7
31 2 1 2 22.761 45.523 2.3119 14.5 2.1 2.1 5.7
32 2 2 -2 22.812 45.623 2.30707 111.4 16.5 16.3 5.7
33 1 1 -4 22.929 45.858 2.29591 54.9 8.1 8.0 5.7
34 1 2 -3 24.336 48.673 2.17052 47.8 7.1 7.0 5.7
35 4 0 -1 24.387 48.774 2.1663 107.7 15.9 15.7 5.7
36 4 0 -3 24.491 48.981 2.15769 10.3 1.5 1.5 5.7
37 0 1 4 24.85 49.7 2.12843 9.6 1.4 1.4 5.7
38 2 2 1 24.933 49.867 2.12177 124.1 18.3 18.1 5.7
39 2 2 -3 25.035 50.07 2.11368 115.1 17.0 16.8 5.7
40 0 2 3 25.5 51.001 2.07765 102.4 15.1 14.9 5.8
41 2 0 3 25.889 51.778 2.04855 41.2 6.1 6.0 5.8
42 3 2 -1 26.071 52.141 2.03527 14.0 2.1 2.0 5.8
43 4 0 0 26.438 52.876 2.009 41.3 6.1 6.0 5.8
44 1 0 4 26.65 53.3 1.99415 7.8 1.2 1.1 5.8
45 1 0 -5 26.76 53.519 1.98659 12.5 1.8 1.8 5.8
46 3 0 -5 27.19 54.38 1.95748 9.8 1.4 1.4 5.8
47 3 2 0 27.386 54.771 1.94458 9.0 1.3 1.3 5.8
48 2 1 3 27.671 55.343 1.92606 27.8 4.1 4.0 5.8
49 2 2 2 28.299 56.598 1.88676 68.1 10.1 9.8 5.8
50 1 2 3 28.361 56.721 1.88299 6.8 1.0 1.0 5.8
51 1 1 4 28.399 56.799 1.88064 27.1 4.0 3.9 5.8
52 2 2 -4 28.439 56.878 1.87823 134.9 19.9 19.5 5.8
53 1 1 -5 28.504 57.009 1.8743 20.4 3.0 2.9 5.8
54 3 1 2 28.675 57.349 1.8641 23.9 3.5 3.4 5.8
55 1 3 0 29.17 58.34 1.83516 15.3 2.3 2.2 5.8
56 3 2 1 29.931 59.863 1.79264 7.3 1.1 1.1 5.8
57 0 2 4 30.11 60.22 1.783 14.5 2.1 2.1 5.8
58 5 0 -2 30.303 60.605 1.77273 28.3 4.2 4.1 5.8
59 1 3 1 30.418 60.835 1.76666 7.3 1.1 1.0 5.8
60 0 1 5 30.779 61.559 1.7479 32.5 4.8 4.7 5.8
61 2 3 -1 31.021 62.043 1.7356 26.0 3.8 3.7 5.8
62 4 1 -5 31.565 63.131 1.70871 39.1 5.8 5.6 5.9
63 2 0 4 31.665 63.33 1.70389 11.3 1.7 1.6 5.9
64 2 0 -6 31.883 63.766 1.69346 17.8 2.6 2.5 5.9
65 5 1 -2 31.923 63.846 1.69156 21.4 3.2 3.1 5.9
66 5 1 -3 31.977 63.955 1.68899 18.8 2.8 2.7 5.9
67 3 0 -6 32.273 64.546 1.67517 27.6 4.1 3.9 5.9
68 1 3 -3 32.892 65.785 1.64707 71.3 10.5 10.1 5.9
69 1 0 5 32.945 65.891 1.64471 7.4 1.1 1.1 5.9
70 5 1 -1 33.067 66.134 1.63934 170.0 25.1 24.2 5.9
71 4 2 0 33.105 66.209 1.63769 14.6 2.2 2.1 5.9
72 4 2 -4 33.275 66.55 1.63026 178.2 26.3 25.3 5.9
73 2 3 1 33.386 66.773 1.62546 9.6 1.4 1.4 5.9
74 2 1 -6 33.46 66.921 1.62228 13.0 1.9 1.8 5.9
75 3 2 2 33.541 67.083 1.61882 39.1 5.8 5.6 5.9
76 0 3 3 33.86 67.721 1.60536 38.2 5.6 5.4 5.9
77 4 0 -6 34.204 68.408 1.59116 82.9 12.2 11.7 5.9
78 3 3 -1 34.342 68.683 1.58557 65.6 9.7 9.3 5.9
79 3 3 -2 34.373 68.746 1.5843 7.1 1.0 1.0 5.9
80 1 1 5 34.498 68.996 1.57927 38.6 5.7 5.5 5.9
81 5 1 0 35.35 70.701 1.54597 23.0 3.4 3.2 5.9
82 4 1 2 35.4 70.801 1.54407 42.0 6.2 5.9 5.9
83 3 3 -3 35.56 71.12 1.53805 31.9 4.7 4.5 5.9
84 4 2 -5 36.216 72.432 1.5139 17.2 2.5 2.4 5.9
85 6 0 -3 37.097 74.194 1.48294 10.3 1.5 1.4 6.0
86 5 0 -6 37.565 75.13 1.46715 7.0 1.0 1.0 6.0
87 6 0 -4 37.72 75.44 1.462 37.1 5.5 5.2 6.0
88 5 2 -4 37.78 75.56 1.46003 112.7 16.6 15.7 6.0
89 2 2 -6 38.001 76.002 1.45281 25.5 3.8 3.6 6.0
90 3 2 3 38.091 76.182 1.4499 8.9 1.3 1.2 6.0
91 3 2 -6 38.362 76.724 1.44122 60.9 9.0 8.5 6.0
92 4 0 3 38.947 77.894 1.42294 9.2 1.4 1.3 6.0
93 1 2 -6 39.098 78.195 1.41833 9.5 1.4 1.3 6.0
94 0 4 0 39.249 78.499 1.41372 164.7 24.3 22.9 6.0
95 2 1 5 39.492 78.985 1.40643 33.9 5.0 4.7 6.0
96 3 1 -7 39.545 79.091 1.40486 8.4 1.2 1.2 6.0
97 2 1 -7 39.731 79.462 1.39938 10.3 1.5 1.4 6.0
98 5 2 0 39.804 79.607 1.39724 17.1 2.5 2.4 6.0
99 4 2 2 39.852 79.704 1.39584 116.1 17.2 16.1 6.0
100 2 3 3 40.154 80.307 1.3871 15.3 2.3 2.1 6.0
101 6 1 -1 40.668 81.336 1.37256 10.5 1.5 1.4 6.1
102 1 3 4 40.765 81.531 1.36985 13.6 2.0 1.9 6.1
103 0 2 6 41.62 83.24 1.3467 46.9 6.9 6.4 6.1
104 2 4 -2 42.162 84.323 1.33258 7.2 1.1 1.0 6.1
105 0 3 5 42.822 85.644 1.31592 8.2 1.2 1.1 6.1
106 6 2 -3 42.929 85.858 1.31328 12.8 1.9 1.7 6.1
107 5 2 -6 43.381 86.762 1.30227 9.3 1.4 1.3 6.1
108 6 2 -2 43.414 86.828 1.30147 27.4 4.0 3.7 6.1
109 6 2 -4 43.532 87.063 1.29867 39.9 5.9 5.4 6.1
110 2 4 1 43.736 87.472 1.29382 7.5 1.1 1.0 6.2
111 5 3 -2 43.84 87.68 1.29137 21.2 3.1 2.9 6.2
112 3 0 5 44.307 88.615 1.28053 13.6 2.0 1.8 6.2
113 0 1 7 44.384 88.768 1.27878 13.9 2.1 1.9 6.2
114 3 4 -2 44.649 89.299 1.27277 14.2 2.1 1.9 6.2
115 3 0 -8 44.688 89.376 1.2719 21.4 3.2 2.9 6.2
116 4 2 3 44.726 89.452 1.27105 25.7 3.8 3.5 6.2
117 5 3 -1 44.877 89.754 1.26768 54.3 8.0 7.3 6.2
118 4 0 4 44.924 89.848 1.26664 10.2 1.5 1.4 6.2
119 6 2 -1 44.985 89.97 1.26529 11.2 1.6 1.5 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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