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
7, t-epidote, at 100'K, f-epidote, s-epidote
Ca(1.925)Al(2.265)Fe(0.745)Si(3)O(12)(OH)
Monoclinic P 2(1)/m Z = 2
R =0.03731 NR =1461
28 .12 .12
Ref.Str.:
Gatta C.D., Meven M., Bromiley G. (2012)
* Phys. Chem. Minerals, 39, 1-15
R: from Val Sissone, Valmalenco, Rhetic Alps, Italy.
Neutron single-crystal diffraction. N.A.D
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.8912 alpha = 90.0
b = 5.6312 beta = 115.31
c = 10.1494 gamma = 90.0
Unit cell volume (cub. angs.) = 459.38
Molar volume ( cub.cm/mol.) = 138.35
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7578 0.75 0.1519 0.0 Ca = 1.00
2 0.6065 0.75 0.4251 0.0 Ca = 1.00
3 0.0 0.0 0.0 0.0 Al = 1.00
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.2933 0.25 0.2238 0.0 Fe = 0.7 , Al = 0.3
6 0.3401 0.75 0.0482 0.0 Si = 1.00
7 0.6839 0.25 0.2752 0.0 Si = 1.00
8 0.184 0.75 0.3184 0.0 Si = 1.00
9 0.2338 0.9945 0.0414 0.0 O = 1.00
10 0.3035 0.9823 0.3548 0.0 O = 1.00
11 0.7945 0.0133 0.3398 0.0 O = 1.00
12 0.0524 0.25 0.13 0.0 O = 1.00
13 0.0409 0.75 0.1449 0.0 O = 1.00
14 0.0669 0.75 0.4063 0.0 O = 1.00
15 0.5154 0.75 0.1812 0.0 O = 1.00
16 0.524 0.25 0.3076 0.0 O = 1.00
17 0.6285 0.25 0.0988 0.0 O = 1.00
18 0.0825 0.25 0.428 0.0 O = 1.00
19 0.0639 0.25 0.3294 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7578 0.75 0.1519
2 2 0.6065 0.75 0.4251
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.2933 0.25 0.2238
6 6 0.3401 0.75 0.0482
7 7 0.6839 0.25 0.2752
8 8 0.184 0.75 0.3184
9 9 0.2338 0.9945 0.0414
10 10 0.3035 0.9823 0.3548
11 11 0.7945 0.0133 0.3398
12 12 0.0524 0.25 0.13
13 13 0.0409 0.75 0.1449
14 14 0.0669 0.75 0.4063
15 15 0.5154 0.75 0.1812
16 16 0.524 0.25 0.3076
17 17 0.6285 0.25 0.0988
18 18 0.0825 0.25 0.428
19 19 0.0639 0.25 0.3294
20 1 0.2422 0.25 0.8482
21 2 0.3935 0.25 0.5749
22 3 0.0 0.5 0.0
23 4 0.0 0.5 0.5
24 5 0.7067 0.75 0.7761
25 6 0.6599 0.25 0.9518
26 7 0.3161 0.75 0.7248
27 8 0.816 0.25 0.6816
28 9 0.7662 0.4945 0.9586
29 10 0.6965 0.4823 0.6452
30 11 0.2055 0.5133 0.6602
31 12 0.9476 0.75 0.87
32 13 0.9591 0.25 0.8551
33 14 0.9331 0.25 0.5937
34 15 0.4846 0.25 0.8188
35 16 0.476 0.75 0.6924
36 17 0.3715 0.75 0.9012
37 18 0.9175 0.75 0.572
38 19 0.9361 0.75 0.6706
39 9 0.2338 0.5055 0.0414
40 10 0.3035 0.5177 0.3548
41 11 0.7945 0.4867 0.3398
42 9 0.7662 0.0055 0.9586
43 10 0.6965 0.0177 0.6452
44 11 0.2055 0.9867 0.6602
X-ray density (g/cm cub.) = 3.43
MU (1/cm) = 272.789 Mass attenuation coefficient (cm**2/g) = 79.556
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.326 11
2.5484 13
2.8557 14
2.2981 15
2.4592 9
2.326 11
2.4592 9
2 Ca 2.88 8
2.7992 10
2.6418 11
2.2514 15
2.5246 10
2.5186 18
2.7992 10
2.6418 11
2.5246 10
3 Al 2.316 6
1.9373 9
1.8478 12
1.9544 13
1.8478 12
1.9544 13
1.9373 9
4 Al 2.316 6
1.8568 11
1.9297 14
1.8741 18
1.9297 14
1.8741 18
1.8568 11
5 Fe ,Al 2.592 6
2.2229 9
1.9862 10
1.9369 12
1.8542 16
2.2229 9
1.9862 10
6 Si 2.1 4
1.6545 9
1.5658 15
1.6312 17
1.6545 9
7 Si 2.1 4
1.6193 11
1.5905 16
1.6412 17
1.6193 11
8 Si 2.1 4
1.6253 10
1.6743 13
1.6351 14
1.6253 10
9 O 3.264 10
2.9704 10
2.5926 12
2.7355 13
2.6718 15
3.1726 16
2.7592 12
2.7682 13
2.6283 17
2.8775 9
2.7537 9
10 O 3.264 8
2.9704 9
2.8474 12
2.7292 13
2.7109 14
2.6738 16
2.8165 18
3.0149 10
2.6163 10
11 O 3.264 9
2.6687 14
2.7444 15
2.645 16
2.6173 17
2.6786 18
2.6873 14
2.5972 18
2.6658 11
2.9654 11
12 O 3.264 10
2.5926 9
2.8474 10
2.8239 13
2.8239 13
2.9201 18
2.7592 9
2.5483 13
2.5926 9
2.8474 10
2.7592 9
13 O 3.264 10
2.7355 9
2.7292 10
2.8239 12
2.8239 12
2.5628 14
2.7682 9
2.5483 12
2.7355 9
2.7292 10
2.7682 9
14 O 3.264 10
2.7109 10
2.6687 11
2.5628 13
2.823 18
2.823 18
2.6873 11
2.5501 18
2.7109 10
2.6687 11
2.6873 11
15 O 3.264 9
2.6718 9
2.7444 11
3.0815 16
3.0815 16
3.2183 17
3.2183 17
2.5698 17
2.6718 9
2.7444 11
16 O 3.264 9
3.1726 9
2.6738 10
2.645 11
3.0815 15
3.0815 15
2.6529 17
3.1726 9
2.6738 10
2.645 11
17 O 3.264 8
2.6173 11
3.2183 15
3.2183 15
2.6529 16
2.6283 9
2.5698 15
2.6173 11
2.6283 9
18 O 3.264 10
2.8165 10
2.6786 11
2.9201 12
2.823 14
2.823 14
2.5972 11
2.5501 14
2.8165 10
2.6786 11
2.5972 11
19 H 1.632 1
0.942 18
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 5.595 11.189 0.054 207.47 2 5.6 6.3
2 1 0 0 6.389 12.779 0.062 158.53 2 14.6 32.2
3 1 0 -1 6.448 12.896 0.063 155.62 2 12.6 23.3
4 1 0 1 10.168 20.336 0.099 61.26 2 15.0 13.0
5 1 0 -2 10.28 20.56 0.1 59.89 2 55.7 176.0
6 0 1 1 10.741 21.482 0.104 54.68 4 3.0 0.9
7 1 1 0 11.183 22.366 0.108 50.28 4 14.9 21.2
8 1 1 -1 11.217 22.434 0.109 49.96 4 14.7 20.6
9 0 0 2 11.243 22.487 0.109 49.72 2 3.9 0.7
10 2 0 -1 11.608 23.216 0.112 46.51 2 0.6 0.0
11 2 0 0 12.86 25.72 0.124 37.51 2 61.6 135.1
12 2 0 -2 12.98 25.959 0.126 36.79 2 57.0 113.4
13 1 1 1 13.738 27.475 0.133 32.62 4 24.3 36.4
14 1 1 -2 13.822 27.644 0.134 32.2 4 16.1 15.8
15 0 1 2 14.566 29.131 0.141 28.8 4 0.0 0.0
16 2 1 -1 14.854 29.708 0.143 27.62 4 65.3 223.4
17 1 0 2 15.224 30.447 0.147 26.2 2 52.1 67.5
18 1 0 -3 15.352 30.704 0.148 25.73 2 10.7 2.8
19 2 1 0 15.869 31.737 0.153 23.96 4 8.1 3.0
20 2 1 -2 15.968 31.935 0.154 23.64 4 9.7 4.2
21 2 0 1 16.174 32.348 0.156 23.0 2 58.2 73.8
22 2 0 -3 16.368 32.736 0.158 22.41 2 12.9 3.5
23 0 0 3 17.006 34.011 0.163 20.63 2 32.2 20.3
24 3 0 -1 17.769 35.537 0.171 18.74 2 18.9 6.3
25 3 0 -2 17.836 35.672 0.171 18.59 2 71.5 90.2
26 1 1 2 17.872 35.744 0.172 18.5 4 14.1 7.0
27 1 1 -3 17.983 35.967 0.173 18.25 4 138.3 661.4
28 0 2 0 18.523 37.045 0.178 17.11 2 131.4 279.9
29 2 1 1 18.703 37.406 0.179 16.75 4 42.9 58.5
30 2 1 -3 18.874 37.748 0.181 16.41 4 28.0 24.3
31 0 2 1 19.409 38.817 0.186 15.43 4 12.4 4.5
32 0 1 3 19.44 38.879 0.186 15.38 4 84.9 210.3
33 3 0 0 19.503 39.005 0.187 15.27 2 91.8 121.9
34 1 2 0 19.67 39.341 0.188 14.98 4 67.0 127.3
35 3 0 -3 19.688 39.377 0.188 14.95 2 14.2 2.9
36 1 2 -1 19.691 39.382 0.188 14.94 4 4.4 0.6
37 3 1 -1 20.123 40.246 0.192 14.24 4 104.6 295.5
38 3 1 -2 20.183 40.367 0.193 14.15 4 18.6 9.2
39 2 0 2 20.675 41.35 0.197 13.41 2 95.7 116.5
40 1 0 3 20.77 41.539 0.198 13.27 2 7.2 0.7
41 1 0 -4 20.907 41.814 0.199 13.08 2 39.0 18.9
42 2 0 -4 20.911 41.822 0.2 13.07 2 15.6 3.0
43 1 2 1 21.311 42.623 0.203 12.53 4 9.6 2.2
44 1 2 -2 21.369 42.738 0.204 12.45 4 50.8 60.9
45 3 1 0 21.698 43.396 0.207 12.03 4 17.8 7.2
46 3 1 -3 21.868 43.736 0.208 11.82 4 96.3 207.9
47 0 2 2 21.885 43.77 0.208 11.8 4 84.2 158.4
48 2 2 -1 22.089 44.178 0.21 11.56 4 38.0 31.6
49 3 0 1 22.689 45.379 0.216 10.88 2 15.7 2.6
50 2 1 2 22.778 45.555 0.216 10.78 4 21.4 9.4
51 2 2 0 22.823 45.646 0.217 10.74 4 11.6 2.8
52 1 1 3 22.865 45.73 0.217 10.69 4 41.8 35.3
53 2 2 -2 22.896 45.792 0.217 10.66 4 61.0 75.2
54 0 0 4 22.952 45.903 0.218 10.6 2 10.3 1.1
55 3 0 -4 22.963 45.925 0.218 10.59 2 28.4 8.1
56 1 1 -4 22.992 45.984 0.218 10.56 4 29.3 17.2
57 2 1 -4 22.996 45.992 0.218 10.55 4 37.8 28.5
58 4 0 -2 23.73 47.46 0.225 9.83 2 27.9 7.3
59 1 2 2 24.34 48.681 0.23 9.28 4 10.0 1.8
60 4 0 -1 24.391 48.783 0.231 9.23 2 111.9 109.5
61 1 2 -3 24.427 48.854 0.231 9.2 4 51.6 46.5
62 4 0 -3 24.53 49.06 0.232 9.12 2 32.6 9.2
63 3 1 1 24.655 49.31 0.233 9.01 4 2.2 0.1
64 0 1 4 24.902 49.803 0.235 8.81 4 26.1 11.4
65 3 1 -4 24.912 49.824 0.235 8.8 4 9.7 1.6
66 2 2 1 24.993 49.986 0.236 8.74 4 83.1 114.3
67 2 2 -3 25.129 50.258 0.237 8.63 4 88.7 128.7
68 0 2 3 25.582 51.164 0.241 8.28 4 78.4 96.5
69 4 1 -2 25.635 51.271 0.242 8.25 4 18.0 5.1
70 2 0 3 25.895 51.79 0.244 8.06 2 78.9 47.5
71 3 2 -1 26.137 52.273 0.246 7.89 4 34.7 18.0
72 2 0 -5 26.16 52.319 0.246 7.87 2 19.6 2.9
73 3 2 -2 26.186 52.372 0.247 7.86 4 22.7 7.7
74 4 1 -1 26.261 52.522 0.247 7.8 4 5.0 0.4
75 4 1 -3 26.392 52.785 0.248 7.72 4 1.9 0.1
76 4 0 0 26.432 52.864 0.249 7.69 2 75.4 41.4
77 1 0 4 26.676 53.352 0.251 7.53 2 25.9 4.8
78 4 0 -4 26.693 53.385 0.251 7.52 2 18.5 2.4
79 1 0 -5 26.822 53.644 0.252 7.44 2 37.6 10.0
80 3 0 2 26.931 53.862 0.253 7.37 2 18.6 2.4
81 3 0 -5 27.268 54.537 0.256 7.16 2 44.0 13.1
82 3 2 0 27.442 54.883 0.258 7.06 4 21.8 6.3
83 3 2 -3 27.585 55.17 0.259 6.98 4 24.7 8.1
84 2 1 3 27.692 55.384 0.26 6.92 4 47.1 29.1
85 2 1 -5 27.944 55.889 0.262 6.78 4 3.1 0.1
86 4 1 0 28.205 56.41 0.264 6.63 4 1.6 0.0
87 2 2 2 28.356 56.712 0.265 6.55 4 76.6 72.9
88 1 2 3 28.431 56.862 0.266 6.52 4 29.5 10.7
89 1 1 4 28.439 56.877 0.266 6.51 4 44.0 23.8
90 4 1 -4 28.455 56.909 0.266 6.5 4 0.1 0.0
91 1 2 -4 28.54 57.079 0.267 6.46 4 56.4 39.0
92 2 2 -4 28.543 57.086 0.267 6.46 4 83.6 85.6
93 1 1 -5 28.579 57.157 0.267 6.44 4 44.2 23.9
94 3 1 2 28.683 57.366 0.268 6.39 4 46.2 25.8
95 3 1 -5 29.007 58.013 0.271 6.23 4 5.2 0.3
96 0 3 1 29.104 58.207 0.272 6.18 4 0.2 0.0
97 0 0 5 29.173 58.345 0.272 6.15 2 13.9 1.1
98 1 3 0 29.297 58.595 0.274 6.09 4 29.1 9.7
99 1 3 -1 29.313 58.625 0.274 6.08 4 9.5 1.0
100 4 0 1 29.652 59.304 0.277 5.93 2 21.8 2.7
101 3 2 1 29.981 59.962 0.279 5.78 4 26.0 7.4
102 4 0 -5 30.014 60.028 0.28 5.77 2 14.8 1.2
103 0 2 4 30.197 60.394 0.281 5.69 4 33.8 12.3
104 3 2 -4 30.206 60.412 0.281 5.69 4 0.7 0.0
105 5 0 -2 30.32 60.64 0.282 5.64 2 75.7 30.6
106 5 0 -3 30.395 60.79 0.283 5.61 2 30.0 4.8
107 1 3 1 30.542 61.084 0.284 5.55 4 25.5 6.8
108 1 3 -2 30.587 61.173 0.284 5.53 4 17.9 3.4
109 0 1 5 30.842 61.683 0.287 5.43 4 39.6 16.2
110 4 2 -2 30.844 61.689 0.287 5.43 4 37.0 14.1
111 0 3 2 30.989 61.977 0.288 5.37 4 0.0 0.0
112 2 3 -1 31.149 62.297 0.289 5.31 4 52.2 27.4
113 4 1 1 31.305 62.611 0.29 5.25 4 9.3 0.9
114 4 2 -1 31.401 62.802 0.291 5.22 4 28.5 8.0
115 5 0 -1 31.482 62.964 0.292 5.19 2 8.1 0.3
116 4 2 -3 31.518 63.036 0.292 5.17 4 24.2 5.8
117 4 1 -5 31.657 63.313 0.293 5.13 4 64.1 39.9
118 2 0 4 31.68 63.36 0.294 5.12 2 36.3 6.4
119 5 0 -4 31.701 63.402 0.294 5.11 2 23.5 2.7
120 2 3 0 31.731 63.462 0.294 5.1 4 9.6 0.9
121 2 3 -2 31.789 63.579 0.294 5.08 4 5.8 0.3
122 5 1 -2 31.953 63.907 0.296 5.02 4 44.5 18.8
123 2 0 -6 31.971 63.942 0.296 5.02 2 64.4 19.7
124 3 0 3 31.979 63.957 0.296 5.01 2 24.9 2.9
125 5 1 -3 32.026 64.052 0.296 5.0 4 38.0 13.7
126 3 0 -6 32.369 64.738 0.299 4.88 2 81.3 30.6
127 2 2 3 32.687 65.374 0.302 4.78 4 2.4 0.1
128 2 2 -5 32.916 65.832 0.304 4.71 4 22.5 4.5
129 1 3 2 32.962 65.924 0.304 4.7 4 9.9 0.9
130 1 0 5 32.983 65.967 0.304 4.69 2 50.4 11.3
131 1 3 -3 33.033 66.066 0.305 4.67 4 94.6 79.3
132 5 1 -1 33.083 66.166 0.305 4.66 4 103.3 94.2
133 1 0 -6 33.14 66.28 0.306 4.64 2 132.4 77.2
134 4 2 0 33.152 66.305 0.306 4.64 4 47.4 19.8
135 2 1 4 33.276 66.552 0.307 4.6 4 39.3 13.5
136 5 1 -4 33.296 66.593 0.307 4.6 4 25.1 5.5
137 1 2 4 33.365 66.731 0.307 4.58 4 71.1 43.9
138 4 2 -4 33.38 66.76 0.308 4.57 4 104.5 94.6
139 1 2 -5 33.493 66.986 0.308 4.54 4 5.3 0.2
140 2 3 1 33.502 67.004 0.309 4.54 4 33.2 9.5
141 2 1 -6 33.56 67.119 0.309 4.52 4 35.9 11.1
142 3 1 3 33.567 67.134 0.309 4.52 4 23.1 4.6
143 3 2 2 33.588 67.176 0.309 4.51 4 59.3 30.1
144 2 3 -3 33.615 67.23 0.309 4.5 4 20.4 3.6
145 5 0 0 33.809 67.617 0.311 4.45 2 17.4 1.3
146 4 0 2 33.856 67.712 0.311 4.44 2 10.9 0.5
147 3 2 -5 33.884 67.769 0.312 4.43 4 13.8 1.6
148 3 1 -6 33.948 67.896 0.312 4.41 4 8.9 0.7
149 0 3 3 33.994 67.989 0.313 4.4 4 65.2 35.5
150 5 0 -5 34.16 68.32 0.314 4.36 2 11.0 0.5
151 4 0 -6 34.306 68.611 0.315 4.32 2 139.4 79.6
152 3 3 -1 34.462 68.925 0.316 4.28 4 88.8 63.9
153 3 3 -2 34.504 69.008 0.317 4.27 4 28.2 6.4
154 1 1 5 34.548 69.096 0.317 4.26 4 75.3 45.8
155 1 1 -6 34.701 69.402 0.318 4.22 4 20.5 3.4
156 5 1 0 35.355 70.711 0.323 4.06 4 55.3 23.6
157 4 1 2 35.402 70.804 0.324 4.05 4 76.1 44.5
158 0 2 5 35.579 71.158 0.325 4.01 4 8.9 0.6
159 3 3 0 35.579 71.159 0.325 4.01 4 22.9 4.0
160 5 1 -5 35.7 71.4 0.326 3.98 4 17.7 2.4
161 3 3 -3 35.703 71.407 0.326 3.98 4 69.6 36.5
162 0 0 6 35.798 71.596 0.327 3.96 2 36.3 4.9
163 4 1 -6 35.843 71.685 0.327 3.95 4 6.3 0.3
164 4 2 1 36.011 72.022 0.329 3.92 4 9.7 0.7
165 4 2 -5 36.339 72.679 0.331 3.85 4 50.1 18.3
166 2 3 2 36.375 72.75 0.332 3.84 4 19.0 2.6
167 1 3 3 36.44 72.881 0.332 3.83 4 22.4 3.6
168 1 3 -4 36.536 73.072 0.333 3.81 4 14.7 1.6
169 2 3 -4 36.539 73.077 0.333 3.81 4 24.0 4.1
170 5 2 -2 36.617 73.235 0.333 3.79 4 20.2 2.9
171 5 2 -3 36.685 73.371 0.334 3.78 4 4.0 0.1
172 6 0 -3 37.131 74.263 0.337 3.7 2 43.8 6.7
173 5 0 1 37.197 74.394 0.338 3.68 2 5.9 0.1
174 0 1 6 37.309 74.618 0.339 3.66 4 2.2 0.0
175 6 0 -2 37.615 75.229 0.341 3.61 2 16.1 0.9
176 5 0 -6 37.67 75.339 0.342 3.6 2 46.9 7.5
177 5 2 -1 37.681 75.362 0.342 3.6 4 25.2 4.3
178 3 0 4 37.752 75.503 0.342 3.59 2 54.2 10.0
179 6 0 -4 37.776 75.553 0.342 3.58 2 93.8 29.9
180 3 3 1 37.812 75.624 0.343 3.58 4 9.1 0.6
181 2 2 4 37.864 75.727 0.343 3.57 4 62.2 26.2
182 5 2 -4 37.883 75.766 0.343 3.56 4 111.1 83.4
183 0 3 4 38.006 76.011 0.344 3.54 4 17.6 2.1
184 3 3 -4 38.014 76.028 0.344 3.54 4 5.2 0.2
185 2 0 5 38.051 76.102 0.345 3.54 2 9.4 0.3
186 2 2 -6 38.132 76.265 0.345 3.52 4 66.7 29.7
187 3 2 3 38.139 76.279 0.345 3.52 4 39.3 10.3
188 3 0 -7 38.195 76.39 0.346 3.51 2 9.1 0.3
189 2 0 -7 38.373 76.745 0.347 3.48 2 24.0 1.9
190 3 2 -6 38.501 77.002 0.348 3.46 4 93.5 57.4
191 4 3 -2 38.588 77.176 0.349 3.45 4 9.5 0.6
192 6 1 -3 38.623 77.246 0.349 3.45 4 12.2 1.0
193 5 1 1 38.688 77.375 0.349 3.44 4 24.2 3.8
194 4 0 3 38.939 77.877 0.351 3.4 2 52.7 8.9
195 1 2 5 39.073 78.145 0.352 3.38 4 16.5 1.7
196 4 3 -1 39.092 78.184 0.352 3.38 4 8.0 0.4
197 6 1 -2 39.1 78.2 0.353 3.38 4 23.9 3.7
198 5 1 -6 39.154 78.309 0.353 3.37 4 11.1 0.8
199 4 3 -3 39.198 78.397 0.353 3.36 4 1.8 0.0
200 6 0 -1 39.212 78.425 0.353 3.36 2 17.4 1.0
201 1 2 -6 39.219 78.438 0.353 3.36 4 22.4 3.2
202 3 1 4 39.235 78.471 0.354 3.36 4 0.9 0.0
203 6 1 -4 39.26 78.52 0.354 3.35 4 17.8 2.0
204 0 4 0 39.447 78.893 0.355 3.33 2 229.7 166.4
205 4 0 -7 39.471 78.942 0.355 3.32 2 15.6 0.8
206 2 1 5 39.531 79.062 0.356 3.32 4 74.7 35.0
207 6 0 -5 39.531 79.063 0.356 3.32 2 37.7 4.5
208 3 1 -7 39.674 79.348 0.357 3.3 4 37.4 8.7
209 1 0 6 39.826 79.652 0.358 3.28 2 21.1 1.4
210 5 2 0 39.846 79.691 0.358 3.27 4 54.2 18.2
211 2 1 -7 39.849 79.699 0.358 3.27 4 40.7 10.3
212 4 2 2 39.89 79.781 0.358 3.27 4 136.9 116.1
213 1 0 -7 39.998 79.996 0.359 3.25 2 32.0 3.2
214 0 4 1 40.001 80.001 0.359 3.25 4 4.8 0.1
215 1 4 0 40.168 80.336 0.361 3.23 4 6.8 0.3
216 5 2 -5 40.176 80.353 0.361 3.23 4 11.1 0.8
217 1 4 -1 40.181 80.363 0.361 3.23 4 7.8 0.4
218 2 3 3 40.269 80.538 0.361 3.22 4 36.4 8.1
219 4 2 -6 40.314 80.627 0.362 3.22 4 40.5 10.0
220 4 1 3 40.41 80.82 0.362 3.2 4 0.3 0.0
221 2 3 -5 40.48 80.96 0.363 3.2 4 5.0 0.2
222 6 1 -1 40.681 81.362 0.364 3.17 4 39.2 9.2
223 4 3 0 40.699 81.398 0.365 3.17 4 0.9 0.0
224 1 3 4 40.896 81.793 0.366 3.15 4 43.8 11.5
225 4 3 -4 40.91 81.82 0.366 3.15 4 3.6 0.1
226 4 1 -7 40.937 81.874 0.366 3.14 4 30.8 5.6
227 6 1 -5 40.997 81.994 0.367 3.14 4 5.9 0.2
228 1 3 -5 41.015 82.03 0.367 3.14 4 33.7 6.7
229 3 3 2 41.103 82.207 0.367 3.13 4 26.7 4.2
230 1 4 1 41.256 82.513 0.369 3.11 4 7.6 0.3
231 1 1 6 41.289 82.578 0.369 3.11 4 3.9 0.1
232 1 4 -2 41.296 82.592 0.369 3.11 4 32.5 6.2
233 3 3 -5 41.38 82.759 0.37 3.1 4 12.3 0.9
234 1 1 -7 41.46 82.92 0.37 3.09 4 3.2 0.1
235 5 0 2 41.576 83.152 0.371 3.08 2 74.5 16.2
236 0 4 2 41.652 83.304 0.372 3.07 4 1.2 0.0
237 0 2 6 41.731 83.461 0.372 3.06 4 67.1 26.1
238 2 4 -1 41.794 83.589 0.373 3.06 4 1.4 0.0
239 6 0 0 41.89 83.78 0.373 3.05 2 27.7 2.2
240 5 0 -7 42.166 84.332 0.375 3.02 2 11.0 0.3
241 2 4 0 42.316 84.631 0.376 3.01 4 35.7 7.3
242 6 0 -6 42.362 84.723 0.377 3.01 2 10.9 0.3
243 2 4 -2 42.368 84.736 0.377 3.01 4 33.6 6.4
244 0 3 5 42.974 85.948 0.381 2.96 4 32.8 6.0
245 6 2 -3 43.011 86.021 0.381 2.95 4 44.8 11.2
246 5 1 2 43.028 86.056 0.381 2.95 4 18.0 1.8
247 0 0 7 43.033 86.066 0.381 2.95 2 20.6 1.2
248 5 2 1 43.074 86.148 0.382 2.95 4 19.9 2.2
249 6 1 0 43.341 86.682 0.384 2.93 4 15.3 1.3
250 4 3 1 43.385 86.77 0.384 2.93 4 9.4 0.5
251 1 4 2 43.431 86.863 0.384 2.92 4 30.7 5.2
252 6 2 -2 43.478 86.956 0.385 2.92 4 70.3 27.4
253 1 4 -3 43.497 86.993 0.385 2.92 4 9.3 0.5
254 5 2 -6 43.531 87.062 0.385 2.92 4 37.5 7.8
255 3 2 4 43.61 87.221 0.386 2.91 4 8.5 0.4
256 5 1 -7 43.616 87.231 0.386 2.91 4 0.4 0.0
257 6 2 -4 43.634 87.269 0.386 2.91 4 72.4 28.9
258 4 3 -5 43.698 87.396 0.386 2.9 4 52.7 15.3
259 6 1 -6 43.811 87.621 0.387 2.9 4 26.0 3.7
260 2 2 5 43.901 87.802 0.388 2.89 4 27.9 4.3
261 2 4 1 43.927 87.854 0.388 2.89 4 37.6 7.7
262 5 3 -2 43.964 87.928 0.388 2.89 4 45.6 11.4
263 5 3 -3 44.029 88.059 0.389 2.88 4 27.6 4.2
264 2 4 -3 44.031 88.063 0.389 2.88 4 2.8 0.0
265 3 2 -7 44.041 88.082 0.389 2.88 4 10.5 0.6
266 2 2 -7 44.214 88.428 0.39 2.87 4 13.8 1.0
267 3 0 5 44.324 88.648 0.391 2.86 2 68.8 12.8
268 0 4 3 44.382 88.764 0.391 2.86 4 14.5 1.1
269 0 1 7 44.48 88.96 0.392 2.86 4 52.8 15.1
270 4 2 3 44.766 89.532 0.394 2.84 4 75.6 30.8
271 3 4 -1 44.817 89.635 0.394 2.84 4 11.5 0.7
272 3 0 -8 44.832 89.665 0.394 2.84 2 91.8 22.6
273 3 4 -2 44.857 89.713 0.394 2.84 4 50.2 13.6
274 7 0 -3 44.86 89.719 0.394 2.84 2 26.6 1.9
275 4 0 4 44.922 89.843 0.395 2.83 2 60.8 9.9
276 7 0 -4 44.951 89.902 0.395 2.83 2 32.2 2.8
277 5 3 -1 44.988 89.977 0.395 2.83 4 96.8 50.2
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 1 0 0 6.389 12.779 8.03765 32.2 4.9 5.0 5.6
2 1 0 -1 6.448 12.896 7.96483 23.3 3.5 3.6 5.6
3 1 0 1 10.168 20.336 5.06677 13.0 2.0 2.0 5.6
4 1 0 -2 10.28 20.56 5.01218 176.0 26.6 26.9 5.6
5 1 1 0 11.183 22.366 4.61195 21.2 3.2 3.2 5.6
6 1 1 -1 11.217 22.434 4.59807 21.3 3.2 3.3 5.6
7 2 0 0 12.86 25.72 4.01882 135.1 20.4 20.6 5.6
8 2 0 -2 12.98 25.959 3.98241 113.4 17.1 17.3 5.6
9 1 1 1 13.738 27.475 3.76654 36.4 5.5 5.5 5.6
10 1 1 -2 13.822 27.644 3.74395 15.8 2.4 2.4 5.6
11 2 1 -1 14.854 29.708 3.48916 223.4 33.8 34.0 5.6
12 1 0 2 15.224 30.447 3.40632 67.5 10.2 10.3 5.6
13 2 0 1 16.174 32.348 3.21107 73.8 11.2 11.2 5.6
14 0 0 3 17.006 34.011 3.05835 20.3 3.1 3.1 5.7
15 3 0 -2 17.836 35.672 2.9203 90.2 13.6 13.6 5.7
16 1 1 2 17.872 35.744 2.91457 7.0 1.1 1.1 5.7
17 1 1 -3 17.983 35.967 2.89713 661.4 100.0 100.0 5.7
18 0 2 0 18.523 37.045 2.8156 279.9 42.3 42.3 5.7
19 2 1 1 18.703 37.406 2.78943 58.5 8.9 8.8 5.7
20 2 1 -3 18.874 37.748 2.76506 24.3 3.7 3.7 5.7
21 0 1 3 19.44 38.879 2.68756 210.3 31.8 31.7 5.7
22 3 0 0 19.503 39.005 2.67922 121.9 18.4 18.4 5.7
23 1 2 0 19.67 39.341 2.65728 130.7 19.8 19.7 5.7
24 3 1 -1 20.123 40.246 2.59989 295.5 44.7 44.5 5.7
25 3 1 -2 20.183 40.367 2.59243 9.2 1.4 1.4 5.7
26 2 0 2 20.675 41.35 2.53338 116.5 17.6 17.5 5.7
27 1 0 -4 20.907 41.814 2.50655 21.9 3.3 3.3 5.7
28 1 2 -2 21.369 42.738 2.45479 60.9 9.2 9.1 5.7
29 3 1 0 21.698 43.396 2.41934 7.2 1.1 1.1 5.7
30 3 1 -3 21.868 43.736 2.40142 366.4 55.4 55.0 5.7
31 2 2 -1 22.089 44.178 2.37861 31.6 4.8 4.7 5.7
32 2 1 2 22.778 45.555 2.31035 9.4 1.4 1.4 5.7
33 1 1 3 22.865 45.73 2.30199 35.3 5.3 5.3 5.7
34 2 2 -2 22.896 45.792 2.29903 75.2 11.4 11.3 5.7
35 3 0 -4 22.963 45.925 2.29272 9.2 1.4 1.4 5.7
36 2 1 -4 22.996 45.992 2.28959 45.8 6.9 6.9 5.7
37 4 0 -2 23.73 47.46 2.22265 7.3 1.1 1.1 5.7
38 4 0 -1 24.391 48.783 2.16593 109.5 16.6 16.3 5.7
39 1 2 -3 24.427 48.854 2.16296 46.5 7.0 6.9 5.7
40 4 0 -3 24.53 49.06 2.15446 9.2 1.4 1.4 5.7
41 0 1 4 24.902 49.803 2.1243 13.0 2.0 1.9 5.7
42 2 2 1 24.993 49.986 2.11702 114.3 17.3 17.0 5.7
43 2 2 -3 25.129 50.258 2.10631 128.7 19.5 19.2 5.8
44 0 2 3 25.582 51.164 2.07144 96.5 14.6 14.4 5.8
45 2 0 3 25.895 51.79 2.0481 47.5 7.2 7.1 5.8
46 3 2 -1 26.137 52.273 2.03049 20.9 3.2 3.1 5.8
47 3 2 -2 26.186 52.372 2.02693 7.7 1.2 1.1 5.8
48 4 0 0 26.432 52.864 2.00941 41.4 6.3 6.1 5.8
49 1 0 4 26.676 53.352 1.99235 7.2 1.1 1.1 5.8
50 1 0 -5 26.822 53.644 1.98231 10.0 1.5 1.5 5.8
51 3 0 -5 27.268 54.537 1.9523 13.1 2.0 1.9 5.8
52 3 2 -3 27.585 55.17 1.93163 8.1 1.2 1.2 5.8
53 2 1 3 27.692 55.384 1.92475 29.1 4.4 4.3 5.8
54 2 2 2 28.356 56.712 1.88327 72.9 11.0 10.8 5.8
55 1 1 4 28.439 56.877 1.87826 34.6 5.2 5.1 5.8
56 2 2 -4 28.543 57.086 1.87197 124.6 18.8 18.4 5.8
57 1 1 -5 28.579 57.157 1.86984 23.9 3.6 3.5 5.8
58 3 1 2 28.683 57.366 1.86361 25.8 3.9 3.8 5.8
59 1 3 0 29.297 58.595 1.82788 10.8 1.6 1.6 5.8
60 3 2 1 29.981 59.962 1.78996 7.4 1.1 1.1 5.8
61 0 2 4 30.197 60.394 1.77834 12.3 1.9 1.8 5.8
62 5 0 -2 30.32 60.64 1.7718 30.6 4.6 4.5 5.8
63 1 3 1 30.542 61.084 1.76016 6.8 1.0 1.0 5.8
64 0 1 5 30.842 61.683 1.74472 30.2 4.6 4.4 5.8
65 2 3 -1 31.149 62.297 1.72922 27.4 4.1 4.0 5.8
66 4 2 -1 31.401 62.802 1.71674 8.0 1.2 1.2 5.9
67 4 1 -5 31.657 63.313 1.70429 46.3 7.0 6.8 5.9
68 2 0 -6 31.971 63.942 1.68928 41.5 6.3 6.1 5.9
69 5 1 -3 32.026 64.052 1.6867 13.7 2.1 2.0 5.9
70 3 0 -6 32.369 64.738 1.67073 30.6 4.6 4.5 5.9
71 1 0 5 32.983 65.967 1.64304 11.3 1.7 1.6 5.9
72 1 3 -3 33.033 66.066 1.64083 79.3 12.0 11.5 5.9
73 5 1 -1 33.083 66.166 1.63865 94.2 14.2 13.7 5.9
74 1 0 -6 33.14 66.28 1.63614 96.9 14.7 14.1 5.9
75 2 1 4 33.276 66.552 1.63023 19.0 2.9 2.8 5.9
76 4 2 -4 33.38 66.76 1.62574 138.5 20.9 20.1 5.9
77 2 3 1 33.502 67.004 1.6205 9.5 1.4 1.4 5.9
78 3 2 2 33.588 67.176 1.61683 49.3 7.5 7.2 5.9
79 0 3 3 33.994 67.989 1.59979 35.5 5.4 5.1 5.9
80 4 0 -6 34.306 68.611 1.58703 79.6 12.0 11.5 5.9
81 3 3 -1 34.462 68.925 1.5807 63.9 9.7 9.3 5.9
82 1 1 5 34.548 69.096 1.57727 45.8 6.9 6.6 5.9
83 5 1 0 35.355 70.711 1.54578 23.6 3.6 3.4 5.9
84 4 1 2 35.402 70.804 1.544 44.5 6.7 6.4 5.9
85 3 3 -3 35.703 71.407 1.53269 38.9 5.9 5.6 5.9
86 4 2 -5 36.339 72.679 1.50947 18.3 2.8 2.6 6.0
87 6 0 -3 37.131 74.263 1.48177 6.7 1.0 1.0 6.0
88 5 0 -6 37.67 75.339 1.46367 11.8 1.8 1.7 6.0
89 6 0 -4 37.776 75.553 1.46015 39.8 6.0 5.7 6.0
90 5 2 -4 37.883 75.766 1.45666 109.6 16.6 15.7 6.0
91 2 2 -6 38.132 76.265 1.44857 40.0 6.1 5.7 6.0
92 3 2 -6 38.501 77.002 1.43682 57.4 8.7 8.2 6.0
93 4 0 3 38.939 77.877 1.42319 8.9 1.4 1.3 6.0
94 0 4 0 39.447 78.893 1.4078 167.2 25.3 23.7 6.0
95 2 1 5 39.531 79.062 1.40528 39.5 6.0 5.6 6.0
96 3 1 -7 39.674 79.348 1.40106 8.7 1.3 1.2 6.0
97 2 1 -7 39.849 79.699 1.39591 29.9 4.5 4.2 6.0
98 4 2 2 39.89 79.781 1.39471 116.1 17.6 16.5 6.0
99 2 3 3 40.269 80.538 1.38381 8.1 1.2 1.1 6.1
100 4 2 -6 40.314 80.627 1.38253 10.0 1.5 1.4 6.1
101 6 1 -1 40.681 81.362 1.3722 9.2 1.4 1.3 6.1
102 1 3 4 40.896 81.793 1.36623 11.6 1.7 1.6 6.1
103 1 3 -5 41.015 82.03 1.36297 6.7 1.0 1.0 6.1
104 5 0 2 41.576 83.152 1.34786 16.2 2.4 2.3 6.1
105 0 2 6 41.731 83.461 1.34378 26.1 4.0 3.7 6.1
106 2 4 0 42.316 84.631 1.32864 7.3 1.1 1.0 6.1
107 6 2 -3 43.011 86.021 1.31127 14.2 2.2 2.0 6.1
108 6 2 -2 43.478 86.956 1.29995 27.9 4.2 3.9 6.1
109 5 2 -6 43.531 87.062 1.29868 7.8 1.2 1.1 6.1
110 6 2 -4 43.634 87.269 1.29622 28.9 4.4 4.0 6.2
111 4 3 -5 43.698 87.396 1.29471 15.3 2.3 2.1 6.2
112 2 4 1 43.927 87.854 1.28933 12.0 1.8 1.7 6.2
113 5 3 -2 43.964 87.928 1.28846 11.4 1.7 1.6 6.2
114 3 0 5 44.324 88.648 1.28015 12.8 1.9 1.8 6.2
115 0 1 7 44.48 88.96 1.2766 15.1 2.3 2.1 6.2
116 4 2 3 44.766 89.532 1.27015 30.8 4.7 4.3 6.2
117 3 0 -8 44.832 89.665 1.26867 38.1 5.8 5.3 6.2
118 4 0 4 44.922 89.843 1.26669 12.7 1.9 1.8 6.2
119 5 3 -1 44.988 89.977 1.26522 50.2 7.6 6.9 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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