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
11, 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 = 8.8904 alpha = 90.0
b = 5.6606 beta = 115.46
c = 10.176 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 0.7539 0.75 0.1492 0.0 Ca = 1.00
2 0.5988 0.75 0.4229 0.0 Ca = 1.00
3 0.0 0.0 0.0 0.0 Al = 0.79, Fe = 0.08, Mn = 0.13
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.2955 0.25 0.2261 0.0 Fe = 0.31, Al = 0.29, Mn = 0.4
6 0.3401 0.75 0.0469 0.0 Si = 1.00
7 0.6828 0.25 0.275 0.0 Si = 1.00
8 0.1873 0.75 0.3245 0.0 Si = 1.00
9 0.2376 0.985 0.0349 0.0 O = 1.00
10 0.3062 0.981 0.3566 0.0 O = 1.00
11 0.8018 0.018 0.3487 0.0 O = 1.00
12 0.062 0.25 0.1369 0.0 O = 1.00
13 0.0464 0.75 0.148 0.0 O = 1.00
14 0.0612 0.75 0.408 0.0 O = 1.00
15 0.5182 0.75 0.1773 0.0 O = 1.00
16 0.5182 0.25 0.301 0.0 O = 1.00
17 0.619 0.25 0.098 0.0 O = 1.00
18 0.079 0.25 0.428 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7539 0.75 0.1492
2 2 0.5988 0.75 0.4229
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.2955 0.25 0.2261
6 6 0.3401 0.75 0.0469
7 7 0.6828 0.25 0.275
8 8 0.1873 0.75 0.3245
9 9 0.2376 0.985 0.0349
10 10 0.3062 0.981 0.3566
11 11 0.8018 0.018 0.3487
12 12 0.062 0.25 0.1369
13 13 0.0464 0.75 0.148
14 14 0.0612 0.75 0.408
15 15 0.5182 0.75 0.1773
16 16 0.5182 0.25 0.301
17 17 0.619 0.25 0.098
18 18 0.079 0.25 0.428
19 1 0.2461 0.25 0.8508
20 2 0.4012 0.25 0.5771
21 3 0.0 0.5 0.0
22 4 0.0 0.5 0.5
23 5 0.7045 0.75 0.7739
24 6 0.6599 0.25 0.9531
25 7 0.3172 0.75 0.725
26 8 0.8127 0.25 0.6755
27 9 0.7624 0.485 0.9651
28 10 0.6938 0.481 0.6434
29 11 0.1982 0.518 0.6513
30 12 0.938 0.75 0.8631
31 13 0.9536 0.25 0.852
32 14 0.9388 0.25 0.592
33 15 0.4818 0.25 0.8227
34 16 0.4818 0.75 0.699
35 17 0.381 0.75 0.902
36 18 0.921 0.75 0.572
37 9 0.2376 0.515 0.0349
38 10 0.3062 0.519 0.3566
39 11 0.8018 0.482 0.3487
40 9 0.7624 0.015 0.9651
41 10 0.6938 0.019 0.6434
42 11 0.1982 0.982 0.6513
X-ray density (g/cm cub.) = 3.45
MU (1/cm) = 261.411 Mass attenuation coefficient (cm**2/g) = 75.782
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.928 7
2.4209 11
2.6057 13
2.8661 14
2.2333 15
2.4264 9
2.4209 11
2.4264 9
2 Ca 2.928 8
2.7246 10
2.7019 11
2.2848 15
2.5372 10
2.6022 18
2.7246 10
2.7019 11
2.5372 10
3 Al ,Fe ,Mn 2.772 6
1.9876 9
1.894 12
1.9766 13
1.894 12
1.9766 13
1.9876 9
4 Al 2.364 6
1.7759 11
1.9008 14
1.8642 18
1.9008 14
1.8642 18
1.7759 11
5 Fe ,Al ,Mn 2.772 6
2.3323 9
1.9956 10
1.8744 12
1.7899 16
2.3323 9
1.9956 10
6 Si 2.148 4
1.5872 9
1.569 15
1.6635 17
1.5872 9
7 Si 2.148 4
1.6506 11
1.5951 16
1.6394 17
1.6506 11
8 Si 2.148 4
1.6239 10
1.6915 13
1.6726 14
1.6239 10
9 O 3.312 10
3.0615 10
2.6754 12
2.7686 13
2.643 15
3.1621 16
2.8138 12
2.8372 13
2.5896 17
3.0001 9
2.6605 9
10 O 3.312 8
3.0615 9
2.8032 12
2.7085 13
2.7762 14
2.666 16
2.8615 18
3.0454 10
2.6152 10
11 O 3.312 9
2.6053 14
2.8143 15
2.6954 16
2.7037 17
2.5961 18
2.5972 14
2.553 18
2.6265 11
3.0341 11
12 O 3.312 10
2.6754 9
2.8032 10
2.8383 13
2.8383 13
2.9005 18
2.8138 9
2.6329 13
2.6754 9
2.8032 10
2.8138 9
13 O 3.312 10
2.7686 9
2.7085 10
2.8383 12
2.8383 12
2.5919 14
2.8372 9
2.6329 12
2.7686 9
2.7085 10
2.8372 9
14 O 3.312 10
2.7762 10
2.6053 11
2.5919 13
2.8371 18
2.8371 18
2.5972 11
2.4752 18
2.7762 10
2.6053 11
2.5972 11
15 O 3.312 9
2.643 9
2.8143 11
3.0976 16
3.0976 16
3.1759 17
3.1759 17
2.5295 17
2.643 9
2.8143 11
16 O 3.312 9
3.1621 9
2.666 10
2.6954 11
3.0976 15
3.0976 15
2.581 17
3.1621 9
2.666 10
2.6954 11
17 O 3.312 8
2.7037 11
3.1759 15
3.1759 15
2.581 16
2.5896 9
2.5295 15
2.7037 11
2.5896 9
18 OH 3.36 10
2.8615 10
2.5961 11
2.9005 12
2.8371 14
2.8371 14
2.553 11
2.4752 14
2.8615 10
2.5961 11
2.553 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 5.587 11.173 0.054 208.07 2 9.7 18.3
2 1 0 0 6.398 12.795 0.062 158.12 2 14.3 30.2
3 1 0 -1 6.437 12.874 0.063 156.16 2 14.8 32.2
4 1 0 1 10.177 20.353 0.099 61.15 2 13.5 10.5
5 1 0 -2 10.252 20.504 0.099 60.23 2 59.0 195.8
6 0 1 1 10.696 21.392 0.104 55.16 4 3.6 1.4
7 1 1 0 11.148 22.297 0.108 50.6 4 11.5 12.4
8 1 1 -1 11.171 22.343 0.108 50.39 4 16.6 25.9
9 0 0 2 11.227 22.454 0.109 49.87 2 7.1 2.4
10 2 0 -1 11.609 23.217 0.112 46.51 2 0.8 0.0
11 2 0 0 12.877 25.753 0.125 37.41 2 51.2 91.7
12 2 0 -2 12.957 25.914 0.125 36.92 2 66.2 151.5
13 1 1 1 13.712 27.423 0.133 32.75 4 22.8 31.9
14 1 1 -2 13.768 27.537 0.133 32.47 4 18.3 20.3
15 0 1 2 14.522 29.044 0.14 28.99 4 0.7 0.0
16 2 1 -1 14.824 29.648 0.143 27.74 4 64.7 217.3
17 1 0 2 15.226 30.452 0.147 26.19 2 60.4 89.3
18 1 0 -3 15.312 30.624 0.148 25.88 2 12.7 3.9
19 2 1 0 15.854 31.708 0.153 24.01 4 10.8 5.2
20 2 1 -2 15.921 31.841 0.153 23.79 4 5.7 1.4
21 2 0 1 16.195 32.39 0.156 22.93 2 53.8 62.0
22 2 0 -3 16.325 32.65 0.157 22.54 2 15.8 5.3
23 0 0 3 16.981 33.961 0.163 20.69 2 38.0 28.0
24 3 0 -1 17.78 35.56 0.171 18.72 2 24.2 10.3
25 3 0 -2 17.825 35.65 0.171 18.61 2 79.0 108.8
26 1 1 2 17.848 35.697 0.171 18.56 4 17.6 10.8
27 1 1 -3 17.923 35.846 0.172 18.39 4 140.8 681.9
28 0 2 0 18.423 36.846 0.177 17.31 2 126.1 257.5
29 2 1 1 18.697 37.393 0.179 16.76 4 42.4 56.5
30 2 1 -3 18.812 37.623 0.18 16.53 4 27.9 24.1
31 0 2 1 19.31 38.621 0.185 15.6 4 9.3 2.5
32 0 1 3 19.394 38.787 0.186 15.46 4 91.7 243.4
33 3 0 0 19.529 39.057 0.187 15.22 2 92.6 122.0
34 1 2 0 19.579 39.157 0.187 15.14 4 75.5 161.6
35 1 2 -1 19.592 39.185 0.187 15.11 4 8.6 2.1
36 3 0 -3 19.653 39.306 0.188 15.01 2 8.3 1.0
37 3 1 -1 20.11 40.22 0.192 14.26 4 102.9 282.7
38 3 1 -2 20.151 40.301 0.193 14.2 4 23.4 14.6
39 2 0 2 20.693 41.387 0.198 13.38 2 87.9 96.6
40 1 0 3 20.764 41.527 0.198 13.28 2 0.7 0.0
41 2 0 -4 20.852 41.703 0.199 13.15 2 13.6 2.3
42 1 0 -4 20.856 41.712 0.199 13.15 2 41.9 21.6
43 1 2 1 21.227 42.454 0.202 12.64 4 14.9 5.3
44 1 2 -2 21.266 42.532 0.203 12.59 4 54.3 69.4
45 3 1 0 21.7 43.4 0.207 12.03 4 13.2 3.9
46 0 2 2 21.789 43.578 0.207 11.92 4 90.7 183.4
47 3 1 -3 21.814 43.628 0.208 11.89 4 93.8 195.7
48 2 2 -1 22.003 44.006 0.209 11.66 4 34.0 25.2
49 3 0 1 22.722 45.443 0.216 10.84 2 24.2 5.9
50 2 2 0 22.749 45.499 0.216 10.81 4 14.3 4.1
51 2 1 2 22.773 45.547 0.216 10.79 4 27.9 15.7
52 2 2 -2 22.798 45.597 0.217 10.76 4 58.5 69.0
53 1 1 3 22.839 45.677 0.217 10.72 4 40.6 33.0
54 3 0 -4 22.905 45.81 0.218 10.65 2 37.2 13.8
55 0 0 4 22.917 45.834 0.218 10.64 2 8.8 0.8
56 2 1 -4 22.92 45.84 0.218 10.63 4 35.8 25.5
57 1 1 -4 22.924 45.848 0.218 10.63 4 31.2 19.4
58 4 0 -2 23.731 47.463 0.225 9.83 2 17.2 2.7
59 1 2 2 24.262 48.524 0.23 9.35 4 12.7 2.8
60 1 2 -3 24.32 48.641 0.23 9.3 4 52.2 47.5
61 4 0 -1 24.414 48.827 0.231 9.21 2 114.9 113.8
62 4 0 -3 24.506 49.013 0.232 9.14 2 46.7 18.7
63 3 1 1 24.666 49.332 0.233 9.0 4 7.1 0.8
64 3 1 -4 24.838 49.677 0.235 8.86 4 11.5 2.2
65 0 1 4 24.85 49.699 0.235 8.85 4 24.0 9.6
66 2 2 1 24.929 49.859 0.236 8.79 4 90.3 133.9
67 2 2 -3 25.021 50.042 0.236 8.71 4 85.0 117.7
68 0 2 3 25.487 50.975 0.241 8.35 4 82.0 105.0
69 4 1 -2 25.617 51.235 0.242 8.26 4 16.7 4.3
70 2 0 3 25.908 51.815 0.244 8.05 2 76.3 43.9
71 3 2 -1 26.069 52.138 0.246 7.94 4 28.6 12.1
72 2 0 -5 26.085 52.17 0.246 7.92 2 15.2 1.7
73 3 2 -2 26.102 52.205 0.246 7.91 4 16.6 4.1
74 4 1 -1 26.263 52.526 0.247 7.8 4 5.9 0.5
75 4 1 -3 26.351 52.702 0.248 7.74 4 5.0 0.4
76 4 0 0 26.469 52.937 0.249 7.67 2 76.8 42.3
77 4 0 -4 26.643 53.287 0.251 7.55 2 15.2 1.6
78 1 0 4 26.661 53.322 0.251 7.54 2 20.9 3.1
79 1 0 -5 26.759 53.518 0.252 7.48 2 45.1 14.2
80 3 0 2 26.964 53.928 0.253 7.35 2 12.8 1.1
81 3 0 -5 27.19 54.38 0.255 7.21 2 40.4 11.0
82 3 2 0 27.388 54.777 0.257 7.09 4 14.5 2.8
83 3 2 -3 27.485 54.969 0.258 7.04 4 16.4 3.5
84 2 1 3 27.686 55.371 0.26 6.92 4 44.4 25.5
85 2 1 -5 27.855 55.71 0.261 6.83 4 3.0 0.1
86 4 1 0 28.222 56.444 0.264 6.63 4 2.6 0.1
87 2 2 2 28.299 56.598 0.265 6.58 4 71.9 63.7
88 1 2 3 28.355 56.709 0.265 6.56 4 19.0 4.4
89 4 1 -4 28.389 56.779 0.266 6.54 4 3.0 0.1
90 1 1 4 28.406 56.813 0.266 6.53 4 45.8 25.6
91 2 2 -4 28.424 56.849 0.266 6.52 4 87.5 93.4
92 1 2 -4 28.428 56.855 0.266 6.52 4 60.5 44.6
93 1 1 -5 28.5 57.001 0.267 6.48 4 41.5 20.9
94 3 1 2 28.697 57.393 0.268 6.38 4 39.0 18.2
95 3 1 -5 28.914 57.828 0.27 6.27 4 10.9 1.4
96 0 3 1 28.943 57.886 0.271 6.26 4 0.7 0.0
97 0 0 5 29.127 58.254 0.272 6.17 2 29.0 4.9
98 1 3 0 29.141 58.283 0.272 6.16 4 33.3 12.8
99 1 3 -1 29.152 58.303 0.272 6.16 4 13.6 2.1
100 4 0 1 29.697 59.393 0.277 5.91 2 24.6 3.3
101 3 2 1 29.938 59.877 0.279 5.8 4 20.4 4.5
102 4 0 -5 29.94 59.879 0.279 5.8 2 0.1 0.0
103 3 2 -4 30.09 60.179 0.28 5.74 4 2.1 0.0
104 0 2 4 30.099 60.199 0.28 5.73 4 38.5 15.9
105 5 0 -2 30.334 60.667 0.282 5.63 2 77.7 31.8
106 5 0 -3 30.384 60.768 0.283 5.61 2 30.1 4.7
107 1 3 1 30.391 60.782 0.283 5.61 4 22.6 5.4
108 1 3 -2 30.421 60.842 0.283 5.6 4 16.8 2.9
109 4 2 -2 30.777 61.555 0.286 5.45 4 40.1 16.4
110 0 1 5 30.781 61.561 0.286 5.45 4 45.4 21.0
111 0 3 2 30.829 61.657 0.286 5.43 4 3.4 0.1
112 2 3 -1 30.997 61.993 0.288 5.37 4 51.3 26.4
113 4 1 1 31.332 62.664 0.291 5.24 4 8.4 0.7
114 4 2 -1 31.352 62.704 0.291 5.24 4 17.0 2.8
115 4 2 -3 31.431 62.862 0.291 5.21 4 24.2 5.7
116 5 0 -1 31.516 63.032 0.292 5.18 2 13.4 0.9
117 4 1 -5 31.568 63.135 0.293 5.16 4 65.9 41.9
118 2 3 0 31.589 63.177 0.293 5.15 4 9.7 0.9
119 2 3 -2 31.628 63.255 0.293 5.14 4 5.8 0.3
120 5 0 -4 31.663 63.326 0.293 5.12 2 18.0 1.6
121 2 0 4 31.685 63.37 0.294 5.12 2 45.2 9.8
122 2 0 -6 31.88 63.761 0.295 5.05 2 65.9 20.5
123 5 1 -2 31.95 63.9 0.296 5.02 4 45.8 19.7
124 5 1 -3 31.999 63.997 0.296 5.01 4 39.1 14.3
125 3 0 3 32.009 64.018 0.296 5.0 2 19.7 1.8
126 3 0 -6 32.271 64.542 0.298 4.92 2 75.2 26.0
127 2 2 3 32.632 65.263 0.301 4.8 4 9.6 0.8
128 2 2 -5 32.785 65.571 0.303 4.75 4 20.3 3.6
129 1 3 2 32.815 65.631 0.303 4.74 4 7.7 0.5
130 1 3 -3 32.863 65.727 0.303 4.73 4 90.6 72.5
131 1 0 5 32.958 65.916 0.304 4.7 2 41.1 7.4
132 1 0 -6 33.063 66.126 0.305 4.67 2 137.3 82.2
133 5 1 -1 33.1 66.199 0.305 4.65 4 95.0 78.6
134 4 2 0 33.119 66.238 0.305 4.65 4 46.0 18.4
135 5 1 -4 33.243 66.485 0.306 4.61 4 27.4 6.5
136 2 1 4 33.265 66.529 0.307 4.61 4 44.6 17.1
137 4 2 -4 33.271 66.543 0.307 4.6 4 116.0 116.0
138 1 2 4 33.287 66.574 0.307 4.6 4 71.1 43.5
139 2 3 1 33.368 66.735 0.307 4.58 4 32.7 9.2
140 1 2 -5 33.373 66.745 0.307 4.57 4 3.8 0.1
141 2 3 -3 33.444 66.887 0.308 4.55 4 17.6 2.6
142 2 1 -6 33.455 66.91 0.308 4.55 4 32.4 8.9
143 3 2 2 33.552 67.104 0.309 4.52 4 68.6 39.8
144 3 1 3 33.58 67.16 0.309 4.51 4 18.9 3.0
145 3 2 -5 33.751 67.502 0.311 4.47 4 15.0 1.9
146 0 3 3 33.834 67.668 0.311 4.44 4 69.2 39.8
147 3 1 -6 33.836 67.671 0.311 4.44 4 6.4 0.3
148 5 0 0 33.858 67.716 0.311 4.44 2 17.9 1.3
149 4 0 2 33.905 67.81 0.312 4.42 2 1.3 0.0
150 5 0 -5 34.093 68.187 0.313 4.37 2 18.5 1.4
151 4 0 -6 34.206 68.412 0.314 4.34 2 140.8 80.6
152 3 3 -1 34.325 68.65 0.315 4.31 4 93.0 69.7
153 3 3 -2 34.353 68.706 0.315 4.31 4 31.1 7.8
154 1 1 5 34.507 69.014 0.317 4.27 4 64.2 32.9
155 1 1 -6 34.61 69.22 0.318 4.24 4 25.5 5.2
156 5 1 0 35.388 70.776 0.324 4.05 4 56.7 24.4
157 4 1 2 35.434 70.868 0.324 4.04 4 76.2 43.9
158 3 3 0 35.454 70.909 0.324 4.04 4 23.0 4.0
159 0 2 5 35.475 70.949 0.324 4.03 4 0.2 0.0
160 3 3 -3 35.537 71.075 0.325 4.02 4 63.2 30.0
161 5 1 -5 35.619 71.238 0.326 4.0 4 23.6 4.2
162 4 1 -6 35.729 71.459 0.326 3.98 4 6.5 0.3
163 0 0 6 35.739 71.478 0.327 3.98 2 39.9 5.9
164 4 2 1 35.989 71.977 0.328 3.92 4 2.1 0.0
165 4 2 -5 36.209 72.418 0.33 3.88 4 47.3 16.2
166 2 3 2 36.246 72.493 0.331 3.87 4 21.5 3.4
167 1 3 3 36.295 72.59 0.331 3.86 4 17.3 2.2
168 2 3 -4 36.356 72.713 0.331 3.85 4 20.7 3.1
169 1 3 -4 36.359 72.719 0.331 3.84 4 16.3 1.9
170 5 2 -2 36.567 73.134 0.333 3.8 4 19.5 2.7
171 5 2 -3 36.613 73.226 0.333 3.79 4 7.4 0.4
172 6 0 -3 37.134 74.267 0.337 3.7 2 57.5 11.4
173 0 1 6 37.236 74.471 0.338 3.68 4 6.7 0.3
174 5 0 1 37.257 74.514 0.338 3.67 2 8.4 0.2
175 5 0 -6 37.574 75.147 0.341 3.62 2 48.6 8.0
176 6 0 -2 37.642 75.284 0.341 3.6 2 8.2 0.2
177 5 2 -1 37.65 75.301 0.341 3.6 4 34.7 8.1
178 3 3 1 37.697 75.394 0.342 3.59 4 4.2 0.1
179 6 0 -4 37.75 75.501 0.342 3.59 2 88.5 26.3
180 3 0 4 37.777 75.554 0.342 3.58 2 67.4 15.2
181 5 2 -4 37.786 75.572 0.343 3.58 4 110.4 81.7
182 2 2 4 37.806 75.613 0.343 3.58 4 59.3 23.5
183 3 3 -4 37.832 75.664 0.343 3.57 4 4.7 0.1
184 0 3 4 37.841 75.682 0.343 3.57 4 18.6 2.3
185 2 2 -6 37.987 75.973 0.344 3.55 4 64.7 27.8
186 2 0 5 38.047 76.093 0.345 3.54 2 3.7 0.0
187 3 0 -7 38.074 76.149 0.345 3.53 2 3.2 0.0
188 3 2 3 38.106 76.211 0.345 3.53 4 36.1 8.6
189 2 0 -7 38.263 76.525 0.346 3.5 2 32.5 3.5
190 3 2 -6 38.348 76.697 0.347 3.49 4 97.9 62.6
191 4 3 -2 38.451 76.901 0.348 3.47 4 6.2 0.3
192 6 1 -3 38.61 77.22 0.349 3.45 4 14.9 1.4
193 5 1 1 38.731 77.463 0.35 3.43 4 30.4 5.9
194 4 3 -1 38.971 77.942 0.352 3.39 4 0.0 0.0
195 1 2 5 38.988 77.976 0.352 3.39 4 17.1 1.9
196 4 0 3 38.988 77.976 0.352 3.39 2 54.5 9.4
197 4 3 -3 39.043 78.085 0.352 3.38 4 2.8 0.0
198 5 1 -6 39.044 78.089 0.352 3.38 4 8.7 0.5
199 1 2 -6 39.086 78.172 0.352 3.38 4 27.9 4.9
200 6 1 -2 39.112 78.224 0.353 3.37 4 28.0 4.9
201 0 4 0 39.202 78.405 0.353 3.36 2 231.1 167.9
202 6 1 -4 39.219 78.438 0.353 3.36 4 25.9 4.2
203 3 1 4 39.245 78.491 0.354 3.35 4 4.6 0.1
204 6 0 -1 39.261 78.522 0.354 3.35 2 14.4 0.6
205 4 0 -7 39.345 78.69 0.354 3.34 2 8.9 0.2
206 6 0 -5 39.475 78.949 0.355 3.32 2 36.1 4.1
207 2 1 5 39.512 79.024 0.356 3.32 4 75.8 35.6
208 3 1 -7 39.539 79.078 0.356 3.31 4 35.1 7.6
209 2 1 -7 39.725 79.451 0.357 3.29 4 37.2 8.5
210 0 4 1 39.756 79.511 0.357 3.29 4 6.8 0.3
211 1 0 6 39.788 79.576 0.358 3.28 2 11.3 0.4
212 5 2 0 39.831 79.662 0.358 3.28 4 57.4 20.2
213 4 2 2 39.875 79.75 0.358 3.27 4 137.9 116.4
214 1 0 -7 39.903 79.806 0.359 3.27 2 36.8 4.1
215 1 4 0 39.927 79.853 0.359 3.26 4 7.2 0.3
216 1 4 -1 39.936 79.871 0.359 3.26 4 9.6 0.6
217 5 2 -5 40.053 80.106 0.36 3.25 4 13.3 1.1
218 2 3 3 40.142 80.284 0.36 3.24 4 34.7 7.3
219 4 2 -6 40.159 80.318 0.361 3.23 4 23.6 3.4
220 2 3 -5 40.284 80.568 0.361 3.22 4 9.5 0.5
221 4 1 3 40.443 80.887 0.363 3.2 4 6.2 0.2
222 4 3 0 40.592 81.184 0.364 3.18 4 3.7 0.1
223 6 1 -1 40.714 81.428 0.365 3.17 4 41.6 10.2
224 4 3 -4 40.734 81.467 0.365 3.17 4 8.0 0.4
225 1 3 4 40.748 81.496 0.365 3.17 4 45.1 12.0
226 4 1 -7 40.797 81.594 0.365 3.16 4 36.0 7.7
227 1 3 -5 40.828 81.655 0.365 3.16 4 33.2 6.5
228 6 1 -5 40.926 81.852 0.366 3.15 4 12.1 0.9
229 3 3 2 40.994 81.989 0.367 3.14 4 15.3 1.4
230 1 4 1 41.018 82.035 0.367 3.14 4 6.4 0.2
231 1 4 -2 41.044 82.088 0.367 3.13 4 33.4 6.5
232 3 3 -5 41.18 82.359 0.368 3.12 4 16.9 1.7
233 1 1 6 41.236 82.473 0.368 3.11 4 0.4 0.0
234 1 1 -7 41.351 82.702 0.369 3.1 4 0.7 0.0
235 0 4 2 41.404 82.809 0.37 3.1 4 4.2 0.1
236 2 4 -1 41.553 83.107 0.371 3.08 4 0.1 0.0
237 0 2 6 41.614 83.228 0.371 3.07 4 71.2 29.2
238 5 0 2 41.643 83.287 0.371 3.07 2 84.0 20.3
239 6 0 0 41.956 83.912 0.374 3.04 2 27.2 2.1
240 5 0 -7 42.039 84.078 0.374 3.03 2 10.1 0.3
241 2 4 0 42.082 84.165 0.375 3.03 4 28.1 4.5
242 2 4 -2 42.117 84.235 0.375 3.03 4 38.5 8.4
243 6 0 -6 42.272 84.544 0.376 3.01 2 13.2 0.5
244 0 3 5 42.8 85.6 0.38 2.97 4 41.5 9.6
245 6 2 -3 42.953 85.906 0.381 2.96 4 53.3 15.7
246 0 0 7 42.957 85.913 0.381 2.96 2 26.4 1.9
247 5 2 1 43.072 86.143 0.382 2.95 4 21.4 2.5
248 5 1 2 43.08 86.16 0.382 2.95 4 26.9 4.0
249 1 4 2 43.192 86.385 0.383 2.94 4 36.9 7.5
250 1 4 -3 43.236 86.472 0.383 2.94 4 9.7 0.5
251 4 3 1 43.289 86.577 0.383 2.93 4 8.3 0.4
252 5 2 -6 43.378 86.756 0.384 2.93 4 42.9 10.1
253 6 1 0 43.391 86.783 0.384 2.93 4 27.2 4.0
254 6 2 -2 43.444 86.889 0.384 2.92 4 74.6 30.4
255 5 1 -7 43.474 86.948 0.385 2.92 4 3.4 0.1
256 4 3 -5 43.499 86.997 0.385 2.92 4 57.8 18.2
257 6 2 -4 43.549 87.099 0.385 2.91 4 70.9 27.4
258 3 2 4 43.575 87.15 0.385 2.91 4 7.3 0.3
259 2 4 1 43.698 87.397 0.386 2.9 4 35.4 6.8
260 6 1 -6 43.706 87.413 0.386 2.9 4 26.7 3.9
261 2 4 -3 43.768 87.537 0.387 2.9 4 2.4 0.0
262 2 2 5 43.837 87.674 0.387 2.89 4 40.6 8.9
263 5 3 -2 43.841 87.682 0.387 2.89 4 45.8 11.3
264 3 2 -7 43.864 87.727 0.387 2.89 4 13.9 1.0
265 5 3 -3 43.885 87.77 0.388 2.89 4 26.5 3.8
266 2 2 -7 44.047 88.093 0.389 2.88 4 11.5 0.7
267 0 4 3 44.129 88.257 0.389 2.88 4 17.8 1.7
268 3 0 5 44.343 88.686 0.391 2.86 2 69.5 12.9
269 0 1 7 44.389 88.778 0.391 2.86 4 53.0 15.0
270 3 4 -1 44.584 89.169 0.392 2.85 4 15.5 1.3
271 3 4 -2 44.611 89.221 0.393 2.85 4 54.9 16.1
272 3 0 -8 44.684 89.367 0.393 2.84 2 88.3 20.8
273 4 2 3 44.754 89.509 0.394 2.84 4 72.0 27.5
274 7 0 -3 44.877 89.755 0.394 2.83 2 28.6 2.2
275 5 3 -1 44.884 89.767 0.394 2.83 4 94.8 47.6
276 7 0 -4 44.938 89.877 0.395 2.83 2 30.0 2.4
277 4 0 4 44.97 89.94 0.395 2.83 2 69.7 12.9
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 5.587 11.173 9.18814 18.3 2.7 2.7 5.6
2 1 0 0 6.398 12.795 8.02735 30.2 4.4 4.5 5.6
3 1 0 -1 6.437 12.874 7.9785 32.2 4.7 4.8 5.6
4 1 0 1 10.177 20.353 5.06249 10.5 1.5 1.6 5.6
5 1 0 -2 10.252 20.504 5.02579 195.8 28.7 29.1 5.6
6 1 1 -1 11.171 22.343 4.61669 38.3 5.6 5.7 5.6
7 2 0 0 12.877 25.753 4.01367 91.7 13.4 13.6 5.6
8 2 0 -2 12.957 25.914 3.98925 151.5 22.2 22.4 5.6
9 1 1 1 13.712 27.423 3.77352 31.9 4.7 4.7 5.6
10 1 1 -2 13.768 27.537 3.75825 20.3 3.0 3.0 5.6
11 2 1 -1 14.824 29.648 3.496 217.3 31.9 32.0 5.6
12 1 0 2 15.226 30.452 3.40584 89.3 13.1 13.2 5.6
13 2 0 1 16.195 32.39 3.20702 62.0 9.1 9.1 5.6
14 0 0 3 16.981 33.961 3.06271 28.0 4.1 4.1 5.7
15 3 0 -1 17.78 35.56 2.92917 10.3 1.5 1.5 5.7
16 3 0 -2 17.825 35.65 2.92201 119.5 17.5 17.5 5.7
17 1 1 -3 17.923 35.846 2.90655 681.9 100.0 100.0 5.7
18 0 2 0 18.423 36.846 2.8303 257.5 37.8 37.7 5.7
19 2 1 1 18.697 37.393 2.79031 56.5 8.3 8.3 5.7
20 2 1 -3 18.812 37.623 2.7739 24.1 3.5 3.5 5.7
21 0 1 3 19.394 38.787 2.69371 243.4 35.7 35.6 5.7
22 3 0 0 19.529 39.057 2.67578 122.0 17.9 17.8 5.7
23 1 2 0 19.579 39.157 2.66925 163.6 24.0 23.9 5.7
24 3 1 -1 20.11 40.22 2.6015 282.7 41.5 41.3 5.7
25 3 1 -2 20.151 40.301 2.59648 14.6 2.1 2.1 5.7
26 2 0 2 20.693 41.387 2.53124 96.6 14.2 14.1 5.7
27 1 0 -4 20.856 41.712 2.5124 23.9 3.5 3.5 5.7
28 1 2 -2 21.266 42.532 2.46613 69.4 10.2 10.1 5.7
29 3 1 -3 21.814 43.628 2.40707 379.1 55.6 55.2 5.7
30 2 2 -1 22.003 44.006 2.38742 25.2 3.7 3.7 5.7
31 3 0 1 22.722 45.443 2.31572 10.1 1.5 1.5 5.7
32 2 2 -2 22.798 45.597 2.30834 84.6 12.4 12.3 5.7
33 1 1 3 22.839 45.677 2.3045 33.0 4.8 4.8 5.7
34 1 1 -4 22.924 45.848 2.29638 59.5 8.7 8.6 5.7
35 1 2 -3 24.32 48.641 2.17188 47.5 7.0 6.9 5.7
36 4 0 -1 24.414 48.827 2.16409 113.8 16.7 16.5 5.7
37 4 0 -3 24.506 49.013 2.1564 18.7 2.7 2.7 5.7
38 0 1 4 24.85 49.699 2.12847 11.8 1.7 1.7 5.7
39 2 2 1 24.929 49.859 2.12208 133.9 19.6 19.4 5.7
40 2 2 -3 25.021 50.042 2.11483 117.7 17.3 17.0 5.7
41 0 2 3 25.487 50.975 2.07864 105.0 15.4 15.1 5.8
42 2 0 3 25.908 51.815 2.04718 43.9 6.4 6.3 5.8
43 3 2 -1 26.069 52.138 2.03538 13.8 2.0 2.0 5.8
44 4 0 0 26.469 52.937 2.00684 42.3 6.2 6.1 5.8
45 1 0 -5 26.759 53.518 1.98663 14.2 2.1 2.0 5.8
46 3 0 -5 27.19 54.38 1.95747 11.0 1.6 1.6 5.8
47 2 1 3 27.686 55.371 1.92515 25.5 3.7 3.7 5.8
48 2 2 2 28.299 56.598 1.88676 63.7 9.3 9.1 5.8
49 1 2 -4 28.428 56.855 1.87892 163.5 24.0 23.4 5.8
50 1 1 -5 28.5 57.001 1.87454 20.9 3.1 3.0 5.8
51 3 1 2 28.697 57.393 1.86279 18.2 2.7 2.6 5.8
52 1 3 0 29.141 58.283 1.83681 19.8 2.9 2.8 5.8
53 0 2 4 30.099 60.199 1.78356 15.9 2.3 2.3 5.8
54 5 0 -2 30.334 60.667 1.77108 31.8 4.7 4.5 5.8
55 1 3 1 30.391 60.782 1.76805 10.1 1.5 1.4 5.8
56 0 1 5 30.781 61.561 1.74784 37.4 5.5 5.3 5.8
57 2 3 -1 30.997 61.993 1.73686 26.4 3.9 3.8 5.8
58 4 1 -5 31.568 63.135 1.7086 42.8 6.3 6.1 5.9
59 2 0 4 31.685 63.37 1.70292 11.3 1.7 1.6 5.9
60 2 0 -6 31.88 63.761 1.69358 20.5 3.0 2.9 5.9
61 5 1 -2 31.95 63.9 1.69028 19.7 2.9 2.8 5.9
62 5 1 -3 31.999 63.997 1.68798 16.1 2.4 2.3 5.9
63 3 0 -6 32.271 64.542 1.67526 26.0 3.8 3.7 5.9
64 1 3 -3 32.863 65.727 1.64836 72.5 10.6 10.2 5.9
65 1 0 5 32.958 65.916 1.64416 7.4 1.1 1.1 5.9
66 1 0 -6 33.063 66.126 1.63952 82.2 12.1 11.6 5.9
67 5 1 -1 33.1 66.199 1.63792 96.9 14.2 13.7 5.9
68 4 2 -4 33.271 66.543 1.63042 183.1 26.9 25.8 5.9
69 2 3 1 33.368 66.735 1.62627 9.3 1.4 1.3 5.9
70 2 1 -6 33.455 66.91 1.62252 11.5 1.7 1.6 5.9
71 3 2 2 33.552 67.104 1.61836 42.8 6.3 6.0 5.9
72 0 3 3 33.834 67.668 1.60647 41.4 6.1 5.8 5.9
73 4 0 -6 34.206 68.412 1.59108 80.6 11.8 11.3 5.9
74 3 3 -1 34.325 68.65 1.58625 77.5 11.4 10.9 5.9
75 1 1 5 34.507 69.014 1.57891 32.9 4.8 4.6 5.9
76 5 1 0 35.388 70.776 1.54455 24.4 3.6 3.4 5.9
77 4 1 2 35.434 70.868 1.5428 47.9 7.0 6.7 5.9
78 3 3 -3 35.537 71.075 1.5389 30.0 4.4 4.2 5.9
79 4 2 -5 36.209 72.418 1.51416 16.2 2.4 2.3 5.9
80 6 0 -3 37.134 74.267 1.48169 11.4 1.7 1.6 6.0
81 5 0 -6 37.574 75.147 1.46685 8.0 1.2 1.1 6.0
82 5 2 -1 37.65 75.301 1.46431 8.1 1.2 1.1 6.0
83 6 0 -4 37.75 75.501 1.461 41.5 6.1 5.8 6.0
84 5 2 -4 37.786 75.572 1.45984 105.2 15.4 14.6 6.0
85 2 2 -6 37.987 75.973 1.45328 27.8 4.1 3.8 6.0
86 3 2 3 38.106 76.211 1.44942 8.6 1.3 1.2 6.0
87 3 2 -6 38.348 76.697 1.44165 62.6 9.2 8.7 6.0
88 4 0 3 38.988 77.976 1.42168 11.3 1.7 1.6 6.0
89 6 1 -2 39.112 78.224 1.41789 9.9 1.4 1.4 6.0
90 0 4 0 39.202 78.405 1.41515 172.1 25.2 23.7 6.0
91 2 1 5 39.512 79.024 1.40586 43.3 6.3 6.0 6.0
92 2 1 -7 39.725 79.451 1.39954 8.5 1.3 1.2 6.0
93 5 2 0 39.831 79.662 1.39645 20.2 3.0 2.8 6.0
94 4 2 2 39.875 79.75 1.39516 120.5 17.7 16.6 6.0
95 2 3 3 40.142 80.284 1.38743 10.7 1.6 1.5 6.0
96 6 1 -1 40.714 81.428 1.37128 10.6 1.6 1.5 6.1
97 1 3 4 40.748 81.496 1.37033 12.0 1.8 1.6 6.1
98 4 1 -7 40.797 81.594 1.36897 7.7 1.1 1.1 6.1
99 0 2 6 41.614 83.228 1.34685 49.4 7.2 6.7 6.1
100 2 4 -2 42.117 84.235 1.33372 8.4 1.2 1.1 6.1
101 0 3 5 42.8 85.6 1.31646 9.6 1.4 1.3 6.1
102 6 2 -3 42.953 85.906 1.31269 17.6 2.6 2.4 6.1
103 1 4 2 43.192 86.385 1.30683 7.5 1.1 1.0 6.1
104 5 2 -6 43.378 86.756 1.30234 14.1 2.1 1.9 6.1
105 6 2 -2 43.444 86.889 1.30075 30.5 4.5 4.1 6.1
106 4 3 -5 43.499 86.997 1.29945 18.2 2.7 2.5 6.1
107 6 2 -4 43.549 87.099 1.29824 27.7 4.1 3.7 6.1
108 2 4 1 43.698 87.397 1.2947 10.7 1.6 1.4 6.2
109 5 3 -2 43.841 87.682 1.29134 21.3 3.1 2.9 6.2
110 3 0 5 44.343 88.686 1.27972 12.9 1.9 1.7 6.2
111 0 1 7 44.389 88.778 1.27867 15.0 2.2 2.0 6.2
112 3 4 -2 44.611 89.221 1.27364 17.4 2.5 2.3 6.2
113 3 0 -8 44.684 89.367 1.272 20.8 3.0 2.8 6.2
114 4 2 3 44.754 89.509 1.27041 27.5 4.0 3.7 6.2
115 5 3 -1 44.884 89.767 1.26753 49.8 7.3 6.7 6.2
116 4 0 4 44.97 89.94 1.26562 12.9 1.9 1.7 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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