Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
EPIDOTE
8, t-epidote, syn, f-epidote, s-epidote
Ca(2)Al(2)FeSi(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 = 8.8902 alpha = 90.0
b = 5.6366 beta = 115.43
c = 10.16 gamma = 90.0
Unit cell volume (cub. angs.) = 459.79
Molar volume ( cub.cm/mol.) = 138.47
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7528 0.75 0.1498 0.0 Ca = 1.00
2 0.6092 0.75 0.4222 0.0 Ca = 1.00
3 0.0 0.0 0.0 0.0 Al = 0.84, Fe = 0.16
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.2959 0.25 0.2262 0.0 Fe = 0.75, Al = 0.25
6 0.338 0.75 0.0461 0.0 Si = 1.00
7 0.6814 0.25 0.2766 0.0 Si = 1.00
8 0.1885 0.75 0.324 0.0 Si = 1.00
9 0.235 0.993 0.041 0.0 O = 1.00
10 0.305 0.977 0.355 0.0 O = 1.00
11 0.798 0.015 0.342 0.0 O = 1.00
12 0.052 0.25 0.129 0.0 O = 1.00
13 0.036 0.75 0.151 0.0 O = 1.00
14 0.062 0.75 0.411 0.0 O = 1.00
15 0.516 0.75 0.173 0.0 O = 1.00
16 0.524 0.25 0.309 0.0 O = 1.00
17 0.646 0.25 0.104 0.0 O = 1.00
18 0.071 0.25 0.425 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7528 0.75 0.1498
2 2 0.6092 0.75 0.4222
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.2959 0.25 0.2262
6 6 0.338 0.75 0.0461
7 7 0.6814 0.25 0.2766
8 8 0.1885 0.75 0.324
9 9 0.235 0.993 0.041
10 10 0.305 0.977 0.355
11 11 0.798 0.015 0.342
12 12 0.052 0.25 0.129
13 13 0.036 0.75 0.151
14 14 0.062 0.75 0.411
15 15 0.516 0.75 0.173
16 16 0.524 0.25 0.309
17 17 0.646 0.25 0.104
18 18 0.071 0.25 0.425
19 1 0.2472 0.25 0.8502
20 2 0.3908 0.25 0.5778
21 3 0.0 0.5 0.0
22 4 0.0 0.5 0.5
23 5 0.7041 0.75 0.7738
24 6 0.662 0.25 0.9539
25 7 0.3186 0.75 0.7234
26 8 0.8115 0.25 0.676
27 9 0.765 0.493 0.959
28 10 0.695 0.477 0.645
29 11 0.202 0.515 0.658
30 12 0.948 0.75 0.871
31 13 0.964 0.25 0.849
32 14 0.938 0.25 0.589
33 15 0.484 0.25 0.827
34 16 0.476 0.75 0.691
35 17 0.354 0.75 0.896
36 18 0.929 0.75 0.575
37 9 0.235 0.507 0.041
38 10 0.305 0.523 0.355
39 11 0.798 0.485 0.342
40 9 0.765 0.007 0.959
41 10 0.695 0.023 0.645
42 11 0.202 0.985 0.658
X-ray density (g/cm cub.) = 3.47
MU (1/cm) = 274.111 Mass attenuation coefficient (cm**2/g) = 78.984
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.928 7
2.352 11
2.5125 13
2.8868 14
2.2167 15
2.4594 9
2.352 11
2.4594 9
2 Ca 2.928 8
2.7984 10
2.6243 11
2.3011 15
2.5673 10
2.5889 18
2.7984 10
2.6243 11
2.5673 10
3 Al ,Fe 2.64 6
1.9474 9
1.843 12
2.005 13
1.843 12
2.005 13
1.9474 9
4 Al 2.364 6
1.8257 11
1.8802 14
1.8379 18
1.8802 14
1.8379 18
1.8257 11
5 Fe ,Al 2.64 6
2.2488 9
1.999 10
1.959 12
1.8316 16
2.2488 9
1.999 10
6 Si 2.148 4
1.636 9
1.5537 15
1.5913 17
1.636 9
7 Si 2.148 4
1.6368 11
1.5691 16
1.6432 17
1.6368 11
8 Si 2.148 4
1.5902 10
1.6973 13
1.7029 14
1.5902 10
9 O 3.312 10
2.9779 10
2.6065 12
2.8201 13
2.6529 15
3.1789 16
2.754 12
2.7698 13
2.5503 17
2.8972 9
2.7394 9
10 O 3.312 8
2.9779 9
2.8746 12
2.7194 13
2.7719 14
2.6755 16
2.9107 18
3.0776 10
2.559 10
11 O 3.312 9
2.6111 14
2.787 15
2.6644 16
2.5732 17
2.5687 18
2.6303 14
2.6122 18
2.6492 11
2.9874 11
12 O 3.312 10
2.6065 9
2.8746 10
2.8355 13
2.8355 13
2.9388 18
2.754 9
2.6064 13
2.6065 9
2.8746 10
2.754 9
13 O 3.312 10
2.8201 9
2.7194 10
2.8355 12
2.8355 12
2.5509 14
2.7698 9
2.6064 12
2.8201 9
2.7194 10
2.7698 9
14 O 3.312 10
2.7719 10
2.6111 11
2.5509 13
2.8213 18
2.8213 18
2.6303 11
2.4221 18
2.7719 10
2.6111 11
2.6303 11
15 O 3.312 9
2.6529 9
2.787 11
3.1261 16
3.1261 16
3.2351 17
3.2351 17
2.5521 17
2.6529 9
2.787 11
16 O 3.312 9
3.1789 9
2.6755 10
2.6644 11
3.1261 15
3.1261 15
2.7303 17
3.1789 9
2.6755 10
2.6644 11
17 O 3.312 8
2.5732 11
3.2351 15
3.2351 15
2.7303 16
2.5503 9
2.5521 15
2.5732 11
2.5503 9
18 OH 3.36 10
2.9107 10
2.5687 11
2.9388 12
2.8213 14
2.8213 14
2.6122 11
2.4221 14
2.9107 10
2.5687 11
2.6122 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 5.594 11.189 0.054 207.48 2 9.4 17.3
2 1 0 0 6.396 12.793 0.062 158.17 2 16.7 41.7
3 1 0 -1 6.442 12.883 0.063 155.93 2 14.0 28.9
4 1 0 1 10.181 20.362 0.099 61.1 2 10.4 6.2
5 1 0 -2 10.267 20.534 0.1 60.04 2 61.9 217.6
6 0 1 1 10.733 21.467 0.104 54.76 4 2.5 0.6
7 1 1 0 11.18 22.36 0.108 50.31 4 13.1 16.3
8 1 1 -1 11.206 22.413 0.109 50.06 4 16.8 26.8
9 0 0 2 11.243 22.486 0.109 49.72 2 1.7 0.1
10 2 0 -1 11.609 23.218 0.112 46.5 2 1.2 0.1
11 2 0 0 12.874 25.749 0.125 37.42 2 60.9 131.2
12 2 0 -2 12.967 25.933 0.125 36.86 2 63.2 139.3
13 1 1 1 13.741 27.483 0.133 32.6 4 22.9 32.3
14 1 1 -2 13.806 27.613 0.133 32.28 4 21.1 27.2
15 0 1 2 14.559 29.119 0.141 28.83 4 1.4 0.1
16 2 1 -1 14.849 29.698 0.143 27.64 4 65.6 225.3
17 1 0 2 15.238 30.476 0.147 26.15 2 60.7 91.0
18 1 0 -3 15.337 30.674 0.148 25.79 2 15.0 5.5
19 2 1 0 15.876 31.751 0.153 23.94 4 12.0 6.6
20 2 1 -2 15.952 31.903 0.154 23.69 4 14.9 9.9
21 2 0 1 16.197 32.393 0.156 22.93 2 53.7 62.6
22 2 0 -3 16.346 32.692 0.157 22.48 2 10.8 2.5
23 0 0 3 17.005 34.01 0.163 20.63 2 36.9 26.6
24 3 0 -1 17.778 35.556 0.171 18.72 2 19.4 6.6
25 3 0 -2 17.83 35.659 0.171 18.6 2 78.6 108.6
26 1 1 2 17.88 35.76 0.172 18.49 4 14.2 7.1
27 1 1 -3 17.966 35.931 0.172 18.29 4 142.1 698.6
28 0 2 0 18.504 37.009 0.177 17.14 2 128.3 267.0
29 2 1 1 18.718 37.437 0.179 16.72 4 41.5 54.5
30 2 1 -3 18.85 37.7 0.181 16.46 4 28.8 25.7
31 0 2 1 19.391 38.782 0.186 15.46 4 8.7 2.2
32 0 1 3 19.435 38.869 0.186 15.38 4 90.0 236.0
33 3 0 0 19.525 39.051 0.187 15.23 2 108.1 168.5
34 1 2 0 19.655 39.311 0.188 15.0 4 72.3 148.4
35 3 0 -3 19.668 39.337 0.188 14.98 2 11.4 1.9
36 1 2 -1 19.671 39.342 0.188 14.98 4 9.2 2.4
37 3 1 -1 20.127 40.254 0.192 14.23 4 98.2 259.8
38 3 1 -2 20.174 40.347 0.193 14.16 4 18.2 8.9
39 2 0 2 20.702 41.405 0.198 13.37 2 94.4 112.8
40 1 0 3 20.785 41.569 0.198 13.25 2 1.2 0.0
41 2 0 -4 20.884 41.768 0.199 13.11 2 13.2 2.2
42 1 0 -4 20.89 41.781 0.199 13.1 2 45.5 25.6
43 1 2 1 21.302 42.603 0.203 12.54 4 12.1 3.4
44 1 2 -2 21.346 42.692 0.203 12.48 4 52.7 65.7
45 3 1 0 21.715 43.429 0.207 12.01 4 13.3 4.0
46 3 1 -3 21.846 43.691 0.208 11.85 4 95.7 205.3
47 0 2 2 21.869 43.737 0.208 11.82 4 88.0 173.0
48 2 2 -1 22.073 44.147 0.21 11.58 4 32.6 23.2
49 3 0 1 22.722 45.443 0.216 10.84 2 21.9 4.9
50 2 1 2 22.799 45.597 0.217 10.76 4 17.3 6.1
51 2 2 0 22.817 45.633 0.217 10.74 4 19.3 7.5
52 2 2 -2 22.873 45.745 0.217 10.68 4 62.8 79.6
53 1 1 3 22.875 45.75 0.217 10.68 4 37.1 27.8
54 3 0 -4 22.932 45.865 0.218 10.62 2 30.6 9.4
55 0 0 4 22.951 45.901 0.218 10.6 2 12.3 1.5
56 2 1 -4 22.967 45.934 0.218 10.58 4 35.3 24.9
57 1 1 -4 22.973 45.946 0.218 10.58 4 28.1 15.8
58 4 0 -2 23.732 47.465 0.225 9.83 2 24.2 5.4
59 1 2 2 24.335 48.671 0.23 9.28 4 8.7 1.3
60 1 2 -3 24.402 48.804 0.231 9.22 4 60.0 62.8
61 4 0 -1 24.409 48.819 0.231 9.22 2 112.0 109.4
62 4 0 -3 24.516 49.032 0.232 9.13 2 25.6 5.7
63 3 1 1 24.682 49.364 0.233 8.99 4 1.1 0.0
64 3 1 -4 24.88 49.76 0.235 8.83 4 0.6 0.0
65 0 1 4 24.897 49.794 0.235 8.81 4 26.4 11.6
66 2 2 1 24.995 49.989 0.236 8.73 4 86.6 124.0
67 2 2 -3 25.099 50.199 0.237 8.65 4 84.6 117.2
68 0 2 3 25.567 51.135 0.241 8.3 4 79.9 100.3
69 4 1 -2 25.634 51.268 0.242 8.25 4 18.4 5.3
70 2 0 3 25.925 51.85 0.244 8.04 2 79.7 48.2
71 2 0 -5 26.129 52.258 0.246 7.89 2 19.7 2.9
72 3 2 -1 26.129 52.259 0.246 7.89 4 28.2 11.9
73 3 2 -2 26.167 52.335 0.247 7.87 4 20.8 6.5
74 4 1 -1 26.275 52.549 0.247 7.8 4 4.7 0.3
75 4 1 -3 26.376 52.751 0.248 7.73 4 4.0 0.2
76 4 0 0 26.464 52.927 0.249 7.67 2 82.5 49.4
77 4 0 -4 26.665 53.329 0.251 7.54 2 19.1 2.6
78 1 0 4 26.692 53.384 0.251 7.52 2 20.5 3.0
79 1 0 -5 26.804 53.609 0.252 7.45 2 47.3 15.8
80 3 0 2 26.97 53.94 0.254 7.35 2 13.7 1.3
81 3 0 -5 27.23 54.46 0.256 7.19 2 33.4 7.6
82 3 2 0 27.445 54.891 0.258 7.06 4 30.0 12.0
83 3 2 -3 27.556 55.112 0.259 6.99 4 20.6 5.6
84 2 1 3 27.717 55.434 0.26 6.9 4 50.6 33.5
85 2 1 -5 27.912 55.824 0.262 6.79 4 0.4 0.0
86 4 1 0 28.232 56.464 0.264 6.62 4 0.9 0.0
87 2 2 2 28.364 56.729 0.266 6.55 4 72.5 65.1
88 4 1 -4 28.424 56.849 0.266 6.52 4 1.8 0.0
89 1 2 3 28.43 56.859 0.266 6.52 4 26.6 8.8
90 1 1 4 28.45 56.901 0.266 6.51 4 38.6 18.3
91 2 2 -4 28.508 57.017 0.267 6.48 4 86.4 91.5
92 1 2 -4 28.513 57.027 0.267 6.47 4 57.4 40.4
93 1 1 -5 28.558 57.116 0.267 6.45 4 45.1 24.8
94 3 1 2 28.717 57.434 0.269 6.37 4 47.0 26.7
95 3 1 -5 28.967 57.933 0.271 6.25 4 4.1 0.2
96 0 3 1 29.074 58.148 0.272 6.19 4 2.0 0.0
97 0 0 5 29.171 58.342 0.272 6.15 2 20.9 2.5
98 1 3 0 29.27 58.54 0.273 6.1 4 31.6 11.6
99 1 3 -1 29.282 58.564 0.273 6.1 4 10.4 1.2
100 4 0 1 29.695 59.39 0.277 5.91 2 15.1 1.3
101 4 0 -5 29.974 59.948 0.279 5.78 2 7.3 0.3
102 3 2 1 29.995 59.989 0.279 5.78 4 22.9 5.7
103 3 2 -4 30.168 60.337 0.281 5.7 4 3.7 0.1
104 0 2 4 30.183 60.367 0.281 5.7 4 40.4 17.6
105 5 0 -2 30.331 60.663 0.282 5.63 2 71.3 27.1
106 5 0 -3 30.389 60.778 0.283 5.61 2 42.0 9.3
107 1 3 1 30.519 61.037 0.284 5.56 4 26.3 7.3
108 1 3 -2 30.553 61.106 0.284 5.54 4 22.5 5.3
109 4 2 -2 30.834 61.667 0.287 5.43 4 40.9 17.2
110 0 1 5 30.837 61.675 0.287 5.43 4 44.6 20.4
111 0 3 2 30.96 61.92 0.288 5.38 4 0.2 0.0
112 2 3 -1 31.121 62.242 0.289 5.32 4 53.6 28.9
113 4 1 1 31.344 62.688 0.291 5.24 4 16.0 2.5
114 4 2 -1 31.404 62.807 0.291 5.22 4 19.8 3.9
115 4 2 -3 31.494 62.988 0.292 5.18 4 34.6 11.8
116 5 0 -1 31.51 63.02 0.292 5.18 2 10.5 0.5
117 4 1 -5 31.615 63.229 0.293 5.14 4 61.8 37.2
118 5 0 -4 31.679 63.357 0.294 5.12 2 21.5 2.2
119 2 3 0 31.71 63.421 0.294 5.11 4 13.1 1.7
120 2 0 4 31.713 63.426 0.294 5.11 2 42.3 8.7
121 2 3 -2 31.755 63.511 0.294 5.09 4 9.0 0.8
122 2 0 -6 31.937 63.874 0.296 5.03 2 57.7 15.8
123 5 1 -2 31.961 63.923 0.296 5.02 4 41.1 16.0
124 5 1 -3 32.017 64.034 0.296 5.0 4 39.3 14.6
125 3 0 3 32.024 64.047 0.296 5.0 2 27.6 3.6
126 3 0 -6 32.324 64.649 0.299 4.9 2 84.9 33.4
127 2 2 3 32.701 65.401 0.302 4.78 4 7.0 0.4
128 2 2 -5 32.877 65.754 0.303 4.72 4 27.2 6.6
129 1 3 2 32.943 65.885 0.304 4.7 4 9.4 0.8
130 1 3 -3 32.998 65.995 0.304 4.69 4 93.8 78.0
131 1 0 5 33.0 66.0 0.304 4.68 2 47.9 10.2
132 5 1 -1 33.107 66.214 0.305 4.65 4 106.9 100.5
133 1 0 -6 33.121 66.241 0.305 4.65 2 135.8 81.1
134 4 2 0 33.168 66.336 0.306 4.63 4 43.3 16.5
135 5 1 -4 33.271 66.543 0.307 4.6 4 25.2 5.6
136 2 1 4 33.305 66.609 0.307 4.59 4 40.0 13.9
137 4 2 -4 33.343 66.687 0.307 4.58 4 113.3 111.4
138 1 2 4 33.367 66.734 0.307 4.58 4 70.6 43.1
139 1 2 -5 33.465 66.931 0.308 4.55 4 7.1 0.4
140 2 3 1 33.488 66.976 0.308 4.54 4 31.9 8.7
141 2 1 -6 33.523 67.046 0.309 4.53 4 33.9 9.9
142 2 3 -3 33.575 67.151 0.309 4.52 4 21.0 3.8
143 3 1 3 33.608 67.215 0.309 4.51 4 19.3 3.2
144 3 2 2 33.611 67.221 0.309 4.51 4 69.2 40.8
145 3 2 -5 33.839 67.678 0.311 4.44 4 9.7 0.8
146 5 0 0 33.851 67.703 0.311 4.44 2 15.9 1.1
147 3 1 -6 33.901 67.802 0.312 4.43 4 4.8 0.2
148 4 0 2 33.909 67.818 0.312 4.42 2 2.7 0.0
149 0 3 3 33.967 67.934 0.312 4.41 4 68.3 38.9
150 5 0 -5 34.122 68.244 0.314 4.37 2 26.8 3.0
151 4 0 -6 34.255 68.51 0.315 4.33 2 145.3 86.5
152 3 3 -1 34.441 68.883 0.316 4.28 4 86.3 60.3
153 3 3 -2 34.474 68.947 0.316 4.27 4 30.2 7.4
154 1 1 5 34.561 69.122 0.317 4.25 4 68.6 37.8
155 1 1 -6 34.679 69.358 0.318 4.22 4 27.7 6.1
156 5 1 0 35.394 70.789 0.324 4.05 4 54.0 22.3
157 4 1 2 35.451 70.902 0.324 4.04 4 79.9 48.8
158 0 2 5 35.566 71.132 0.325 4.01 4 7.2 0.4
159 3 3 0 35.568 71.136 0.325 4.01 4 21.0 3.3
160 5 1 -5 35.66 71.32 0.326 3.99 4 12.1 1.1
161 3 3 -3 35.664 71.327 0.326 3.99 4 67.5 34.4
162 4 1 -6 35.79 71.58 0.327 3.96 4 12.0 1.1
163 0 0 6 35.796 71.592 0.327 3.96 2 39.8 5.9
164 4 2 1 36.038 72.077 0.329 3.91 4 8.9 0.6
165 4 2 -5 36.291 72.583 0.331 3.86 4 50.2 18.4
166 2 3 2 36.368 72.735 0.331 3.84 4 16.9 2.1
167 1 3 3 36.425 72.85 0.332 3.83 4 17.0 2.1
168 2 3 -4 36.494 72.988 0.332 3.82 4 20.2 2.9
169 1 3 -4 36.498 72.997 0.332 3.82 4 12.6 1.1
170 5 2 -2 36.616 73.232 0.333 3.79 4 27.6 5.5
171 5 2 -3 36.669 73.337 0.334 3.78 4 1.3 0.0
172 6 0 -3 37.135 74.27 0.337 3.69 2 51.2 9.2
173 5 0 1 37.253 74.506 0.338 3.67 2 16.3 0.9
174 0 1 6 37.304 74.609 0.339 3.66 4 5.8 0.2
175 5 0 -6 37.617 75.235 0.341 3.61 2 47.6 7.7
176 6 0 -2 37.637 75.274 0.341 3.61 2 20.6 1.4
177 5 2 -1 37.695 75.39 0.342 3.6 4 32.3 7.1
178 6 0 -4 37.761 75.523 0.342 3.58 2 85.8 25.0
179 3 0 4 37.802 75.604 0.343 3.58 2 62.0 13.0
180 3 3 1 37.81 75.621 0.343 3.58 4 13.2 1.2
181 5 2 -4 37.851 75.702 0.343 3.57 4 114.5 88.5
182 2 2 4 37.882 75.765 0.343 3.56 4 62.4 26.3
183 3 3 -4 37.966 75.931 0.344 3.55 4 3.2 0.1
184 0 3 4 37.979 75.958 0.344 3.55 4 19.1 2.5
185 2 0 5 38.086 76.173 0.345 3.53 2 1.2 0.0
186 2 2 -6 38.089 76.179 0.345 3.53 4 64.8 28.1
187 3 0 -7 38.144 76.287 0.345 3.52 2 1.4 0.0
188 3 2 3 38.169 76.339 0.345 3.52 4 45.3 13.6
189 2 0 -7 38.334 76.669 0.347 3.49 2 30.2 3.0
190 3 2 -6 38.448 76.896 0.348 3.47 4 102.4 68.9
191 4 3 -2 38.564 77.128 0.348 3.45 4 9.1 0.5
192 6 1 -3 38.624 77.248 0.349 3.45 4 16.6 1.8
193 5 1 1 38.74 77.481 0.35 3.43 4 22.5 3.3
194 4 0 3 39.0 78.001 0.352 3.39 2 44.9 6.5
195 1 2 5 39.077 78.154 0.352 3.38 4 19.1 2.3
196 4 3 -1 39.08 78.161 0.352 3.38 4 8.5 0.5
197 5 1 -6 39.1 78.2 0.353 3.38 4 5.1 0.2
198 6 1 -2 39.119 78.239 0.353 3.37 4 27.1 4.7
199 4 3 -3 39.162 78.325 0.353 3.37 4 6.0 0.2
200 1 2 -6 39.19 78.379 0.353 3.36 4 22.4 3.2
201 6 1 -4 39.242 78.485 0.354 3.36 4 10.7 0.7
202 6 0 -1 39.252 78.505 0.354 3.35 2 10.7 0.4
203 3 1 4 39.282 78.565 0.354 3.35 4 4.5 0.1
204 0 4 0 39.402 78.803 0.355 3.33 2 231.6 169.1
205 4 0 -7 39.41 78.821 0.355 3.33 2 9.7 0.3
206 6 0 -5 39.498 78.996 0.356 3.32 2 41.6 5.4
207 2 1 5 39.564 79.127 0.356 3.31 4 77.3 37.5
208 3 1 -7 39.62 79.24 0.356 3.3 4 37.2 8.6
209 2 1 -7 39.809 79.618 0.358 3.28 4 36.8 8.4
210 1 0 6 39.844 79.688 0.358 3.27 2 24.4 1.8
211 5 2 0 39.875 79.749 0.358 3.27 4 60.4 22.5
212 4 2 2 39.929 79.857 0.359 3.26 4 132.2 108.0
213 0 4 1 39.956 79.911 0.359 3.26 4 7.4 0.3
214 1 0 -7 39.976 79.953 0.359 3.26 2 32.4 3.2
215 1 4 0 40.125 80.25 0.36 3.24 4 8.5 0.4
216 5 2 -5 40.129 80.259 0.36 3.24 4 2.5 0.0
217 1 4 -1 40.135 80.27 0.36 3.24 4 8.5 0.4
218 4 2 -6 40.255 80.51 0.361 3.22 4 40.3 9.9
219 2 3 3 40.268 80.535 0.361 3.22 4 38.4 9.0
220 2 3 -5 40.43 80.861 0.363 3.2 4 2.4 0.0
221 4 1 3 40.468 80.936 0.363 3.2 4 0.1 0.0
222 4 3 0 40.7 81.399 0.365 3.17 4 2.5 0.0
223 6 1 -1 40.718 81.436 0.365 3.17 4 46.2 12.8
224 4 3 -4 40.862 81.724 0.366 3.15 4 3.9 0.1
225 4 1 -7 40.874 81.749 0.366 3.15 4 28.7 4.9
226 1 3 4 40.884 81.768 0.366 3.15 4 41.6 10.3
227 6 1 -5 40.961 81.923 0.366 3.14 4 6.2 0.2
228 1 3 -5 40.975 81.951 0.367 3.14 4 33.8 6.8
229 3 3 2 41.11 82.221 0.368 3.13 4 24.6 3.6
230 1 4 1 41.216 82.432 0.368 3.12 4 5.0 0.1
231 1 4 -2 41.247 82.493 0.369 3.11 4 36.5 7.8
232 1 1 6 41.304 82.608 0.369 3.11 4 4.3 0.1
233 3 3 -5 41.323 82.646 0.369 3.1 4 13.5 1.1
234 1 1 -7 41.436 82.871 0.37 3.09 4 4.3 0.1
235 0 4 2 41.607 83.214 0.371 3.08 4 2.0 0.0
236 5 0 2 41.645 83.291 0.371 3.07 2 81.4 19.2
237 0 2 6 41.718 83.436 0.372 3.06 4 68.1 26.9
238 2 4 -1 41.75 83.501 0.372 3.06 4 1.2 0.0
239 6 0 0 41.947 83.895 0.374 3.04 2 41.6 5.0
240 5 0 -7 42.1 84.2 0.375 3.03 2 11.7 0.4
241 2 4 0 42.278 84.555 0.376 3.01 4 34.2 6.7
242 6 0 -6 42.311 84.621 0.376 3.01 2 7.8 0.2
243 2 4 -2 42.318 84.636 0.376 3.01 4 35.8 7.3
244 0 3 5 42.948 85.896 0.381 2.96 4 36.5 7.4
245 6 2 -3 43.003 86.006 0.381 2.95 4 44.3 10.9
246 0 0 7 43.031 86.061 0.381 2.95 2 24.7 1.7
247 5 1 2 43.094 86.189 0.382 2.95 4 21.4 2.6
248 5 2 1 43.117 86.234 0.382 2.95 4 31.1 5.4
249 1 4 2 43.394 86.789 0.384 2.92 4 35.6 7.0
250 6 1 0 43.395 86.79 0.384 2.92 4 16.6 1.5
251 4 3 1 43.397 86.794 0.384 2.92 4 15.5 1.3
252 1 4 -3 43.445 86.889 0.384 2.92 4 11.3 0.7
253 5 2 -6 43.469 86.939 0.385 2.92 4 42.1 9.8
254 6 2 -2 43.488 86.976 0.385 2.92 4 67.3 25.0
255 5 1 -7 43.547 87.094 0.385 2.91 4 3.0 0.1
256 6 2 -4 43.609 87.218 0.386 2.91 4 63.6 22.3
257 4 3 -5 43.638 87.277 0.386 2.91 4 50.9 14.2
258 3 2 4 43.648 87.297 0.386 2.91 4 8.6 0.4
259 6 1 -6 43.757 87.514 0.387 2.9 4 21.2 2.5
260 2 4 1 43.895 87.79 0.388 2.89 4 35.8 7.0
261 2 2 5 43.924 87.849 0.388 2.89 4 35.7 7.0
262 5 3 -2 43.949 87.898 0.388 2.89 4 44.9 11.0
263 2 4 -3 43.975 87.95 0.388 2.89 4 0.2 0.0
264 3 2 -7 43.98 87.96 0.388 2.89 4 16.3 1.4
265 5 3 -3 43.999 87.999 0.388 2.88 4 28.4 4.4
266 2 2 -7 44.166 88.331 0.389 2.87 4 13.1 0.9
267 0 4 3 44.337 88.675 0.391 2.86 4 17.5 1.7
268 3 0 5 44.381 88.762 0.391 2.86 2 69.7 13.2
269 0 1 7 44.475 88.95 0.392 2.86 4 55.1 16.4
270 3 0 -8 44.773 89.546 0.394 2.84 2 88.2 20.9
271 3 4 -1 44.779 89.557 0.394 2.84 4 12.6 0.9
272 3 4 -2 44.809 89.617 0.394 2.84 4 53.7 15.5
273 4 2 3 44.815 89.631 0.394 2.84 4 68.7 25.3
274 7 0 -3 44.875 89.75 0.394 2.83 2 22.9 1.4
275 7 0 -4 44.945 89.89 0.395 2.83 2 23.4 1.5
276 5 3 -1 44.988 89.976 0.395 2.83 4 102.0 55.7
277 4 0 4 44.993 89.987 0.395 2.83 2 59.4 9.5
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 5.594 11.189 9.17545 17.3 2.5 2.5 5.6
2 1 0 0 6.396 12.793 8.0287 41.7 6.0 6.1 5.6
3 1 0 -1 6.442 12.883 7.9726 28.9 4.1 4.2 5.6
4 1 0 -2 10.267 20.534 5.01836 217.6 31.1 31.5 5.6
5 1 1 -1 11.206 22.413 4.6025 43.1 6.2 6.2 5.6
6 2 0 0 12.874 25.749 4.01435 131.2 18.8 18.9 5.6
7 2 0 -2 12.967 25.933 3.9863 139.3 19.9 20.1 5.6
8 1 1 1 13.741 27.483 3.76554 32.3 4.6 4.7 5.6
9 1 1 -2 13.806 27.613 3.74811 27.2 3.9 3.9 5.6
10 2 1 -1 14.849 29.698 3.49026 225.3 32.3 32.4 5.6
11 1 0 2 15.238 30.476 3.40318 91.0 13.0 13.1 5.6
12 2 1 -2 15.952 31.903 3.25463 9.9 1.4 1.4 5.6
13 2 0 1 16.197 32.393 3.20668 62.6 9.0 9.0 5.6
14 0 0 3 17.005 34.01 3.05848 26.6 3.8 3.8 5.7
15 3 0 -2 17.83 35.659 2.92128 108.6 15.5 15.5 5.7
16 1 1 2 17.88 35.76 2.91335 7.1 1.0 1.0 5.7
17 1 1 -3 17.966 35.931 2.8999 698.6 100.0 100.0 5.7
18 0 2 0 18.504 37.009 2.8183 267.0 38.2 38.2 5.7
19 2 1 1 18.718 37.437 2.7872 54.5 7.8 7.8 5.7
20 2 1 -3 18.85 37.7 2.76842 25.7 3.7 3.7 5.7
21 0 1 3 19.435 38.869 2.68824 236.0 33.8 33.7 5.7
22 3 0 0 19.525 39.051 2.67623 168.5 24.1 24.0 5.7
23 1 2 0 19.655 39.311 2.65922 152.7 21.9 21.8 5.7
24 3 1 -1 20.127 40.254 2.5994 259.8 37.2 37.0 5.7
25 3 1 -2 20.174 40.347 2.59364 8.9 1.3 1.3 5.7
26 2 0 2 20.702 41.405 2.53021 112.8 16.1 16.1 5.7
27 1 0 -4 20.89 41.781 2.50843 27.8 4.0 4.0 5.7
28 1 2 -2 21.346 42.692 2.45731 65.7 9.4 9.3 5.7
29 3 1 -3 21.846 43.691 2.40376 378.3 54.2 53.7 5.7
30 2 2 -1 22.073 44.147 2.38018 23.2 3.3 3.3 5.7
31 2 2 0 22.817 45.633 2.30661 13.6 2.0 1.9 5.7
32 2 2 -2 22.873 45.745 2.30125 107.5 15.4 15.2 5.7
33 3 0 -4 22.932 45.865 2.29559 10.9 1.6 1.5 5.7
34 2 1 -4 22.967 45.934 2.29231 40.8 5.8 5.8 5.7
35 4 0 -1 24.409 48.819 2.16443 172.2 24.7 24.3 5.7
36 0 1 4 24.897 49.794 2.12466 11.6 1.7 1.6 5.7
37 2 2 1 24.995 49.989 2.11691 124.0 17.7 17.5 5.7
38 2 2 -3 25.099 50.199 2.10864 117.2 16.8 16.5 5.7
39 0 2 3 25.567 51.135 2.07256 100.3 14.4 14.1 5.8
40 2 0 3 25.925 51.85 2.04589 48.2 6.9 6.8 5.8
41 3 2 -1 26.129 52.259 2.03102 14.8 2.1 2.1 5.8
42 4 0 0 26.464 52.927 2.00717 49.4 7.1 6.9 5.8
43 1 0 -5 26.804 53.609 1.98353 15.8 2.3 2.2 5.8
44 3 0 -5 27.23 54.46 1.95482 7.6 1.1 1.1 5.8
45 3 2 0 27.445 54.891 1.94066 12.0 1.7 1.7 5.8
46 2 1 3 27.717 55.434 1.92313 33.5 4.8 4.7 5.8
47 2 2 2 28.364 56.729 1.88277 65.1 9.3 9.1 5.8
48 1 1 4 28.45 56.901 1.87755 27.1 3.9 3.8 5.8
49 2 2 -4 28.508 57.017 1.87406 131.9 18.9 18.4 5.8
50 1 1 -5 28.558 57.116 1.87106 24.8 3.6 3.5 5.8
51 3 1 2 28.717 57.434 1.86157 26.7 3.8 3.7 5.8
52 1 3 0 29.27 58.54 1.82944 12.8 1.8 1.8 5.8
53 0 2 4 30.183 60.367 1.77906 17.6 2.5 2.4 5.8
54 5 0 -2 30.331 60.663 1.7712 27.1 3.9 3.8 5.8
55 5 0 -3 30.389 60.778 1.76817 9.3 1.3 1.3 5.8
56 1 3 1 30.519 61.037 1.76138 7.3 1.0 1.0 5.8
57 0 1 5 30.837 61.675 1.74494 37.6 5.4 5.2 5.8
58 2 3 -1 31.121 62.242 1.73061 28.9 4.1 4.0 5.8
59 4 2 -3 31.494 62.988 1.71219 12.3 1.8 1.7 5.9
60 4 1 -5 31.615 63.229 1.70632 37.2 5.3 5.2 5.9
61 2 0 4 31.713 63.426 1.70159 10.3 1.5 1.4 5.9
62 5 1 -2 31.961 63.923 1.68974 31.9 4.6 4.4 5.9
63 5 1 -3 32.017 64.034 1.6871 18.2 2.6 2.5 5.9
64 3 0 -6 32.324 64.649 1.67279 33.4 4.8 4.6 5.9
65 1 3 -3 32.998 65.995 1.64241 88.2 12.6 12.2 5.9
66 5 1 -1 33.107 66.214 1.63759 181.6 26.0 25.0 5.9
67 4 2 0 33.168 66.336 1.63492 16.5 2.4 2.3 5.9
68 2 1 4 33.305 66.609 1.62898 13.9 2.0 1.9 5.9
69 4 2 -4 33.343 66.687 1.62732 154.5 22.1 21.3 5.9
70 2 3 1 33.488 66.976 1.6211 8.7 1.3 1.2 5.9
71 2 1 -6 33.523 67.046 1.61959 9.9 1.4 1.4 5.9
72 3 2 2 33.611 67.221 1.61588 44.0 6.3 6.1 5.9
73 0 3 3 33.967 67.934 1.60092 38.9 5.6 5.3 5.9
74 4 0 -6 34.255 68.51 1.58908 86.5 12.4 11.9 5.9
75 3 3 -1 34.441 68.883 1.58154 60.3 8.6 8.3 5.9
76 3 3 -2 34.474 68.947 1.58024 7.4 1.1 1.0 5.9
77 1 1 5 34.561 69.122 1.57674 37.8 5.4 5.2 5.9
78 5 1 0 35.394 70.789 1.5443 22.3 3.2 3.1 5.9
79 4 1 2 35.451 70.902 1.54216 48.8 7.0 6.7 5.9
80 3 3 -3 35.664 71.327 1.53417 35.6 5.1 4.9 5.9
81 0 0 6 35.796 71.592 1.52924 7.0 1.0 1.0 5.9
82 4 2 -5 36.291 72.583 1.51119 18.4 2.6 2.5 6.0
83 6 0 -3 37.135 74.27 1.48164 9.2 1.3 1.2 6.0
84 5 0 -6 37.617 75.235 1.4654 9.2 1.3 1.2 6.0
85 5 2 -1 37.695 75.39 1.46283 7.1 1.0 1.0 6.0
86 6 0 -4 37.761 75.523 1.46064 25.0 3.6 3.4 6.0
87 3 0 4 37.802 75.604 1.45931 14.2 2.0 1.9 6.0
88 5 2 -4 37.851 75.702 1.45771 88.5 12.7 12.0 6.0
89 2 2 4 37.882 75.765 1.45668 26.3 3.8 3.6 6.0
90 2 2 -6 38.089 76.179 1.44995 28.1 4.0 3.8 6.0
91 3 2 3 38.169 76.339 1.44737 13.6 2.0 1.8 6.0
92 3 2 -6 38.448 76.896 1.43848 68.9 9.9 9.3 6.0
93 0 4 0 39.402 78.803 1.40915 169.4 24.3 22.8 6.0
94 2 1 5 39.564 79.127 1.40432 37.5 5.4 5.0 6.0
95 3 1 -7 39.62 79.24 1.40264 8.6 1.2 1.2 6.0
96 2 1 -7 39.809 79.618 1.39709 8.4 1.2 1.1 6.0
97 5 2 0 39.875 79.749 1.39518 22.5 3.2 3.0 6.0
98 4 2 2 39.929 79.857 1.3936 108.3 15.5 14.5 6.0
99 4 2 -6 40.255 80.51 1.38421 18.9 2.7 2.5 6.1
100 6 1 -1 40.718 81.436 1.37117 12.8 1.8 1.7 6.1
101 1 3 4 40.884 81.768 1.36657 15.2 2.2 2.0 6.1
102 1 4 -2 41.247 82.493 1.35668 7.8 1.1 1.0 6.1
103 5 0 2 41.645 83.291 1.34603 19.2 2.8 2.6 6.1
104 0 2 6 41.718 83.436 1.34412 26.9 3.9 3.6 6.1
105 2 4 -2 42.318 84.636 1.32858 7.3 1.0 1.0 6.1
106 0 3 5 42.948 85.896 1.31281 7.4 1.1 1.0 6.1
107 6 2 -3 43.003 86.006 1.31145 12.7 1.8 1.7 6.1
108 5 2 1 43.117 86.234 1.30866 8.0 1.1 1.1 6.1
109 1 4 2 43.394 86.789 1.30195 9.8 1.4 1.3 6.1
110 6 2 -2 43.488 86.976 1.2997 34.8 5.0 4.6 6.1
111 6 2 -4 43.609 87.218 1.29682 36.5 5.2 4.8 6.2
112 2 4 1 43.895 87.79 1.29008 14.0 2.0 1.8 6.2
113 5 3 -2 43.949 87.898 1.28881 11.0 1.6 1.5 6.2
114 3 0 5 44.381 88.762 1.27884 13.2 1.9 1.7 6.2
115 0 1 7 44.475 88.95 1.27671 16.4 2.3 2.2 6.2
116 3 0 -8 44.773 89.546 1.27 21.8 3.1 2.9 6.2
117 4 2 3 44.815 89.631 1.26905 40.8 5.8 5.3 6.2
118 5 3 -1 44.988 89.976 1.26522 65.2 9.3 8.5 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)
|