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
10, 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 = 8.8817 alpha = 90.0
b = 5.6543 beta = 115.43
c = 10.163 gamma = 90.0
Unit cell volume (cub. angs.) = 460.91
Molar volume ( cub.cm/mol.) = 138.81
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7571 0.75 0.1508 0.0 Ca = 1.00
2 0.5988 0.75 0.4197 0.0 Ca = 1.00
3 0.0 0.0 0.0 0.0 Al = 0.81, Fe = 0.06, Mn = 0.13
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.2941 0.25 0.2263 0.0 Fe = 0.33, Al = 0.27, Mn = 0.4
6 0.3431 0.75 0.0475 0.0 Si = 1.00
7 0.6831 0.25 0.2734 0.0 Si = 1.00
8 0.1881 0.75 0.3267 0.0 Si = 1.00
9 0.2376 0.988 0.0363 0.0 O = 1.00
10 0.302 0.978 0.355 0.0 O = 1.00
11 0.805 0.019 0.3479 0.0 O = 1.00
12 0.062 0.25 0.135 0.0 O = 1.00
13 0.049 0.75 0.153 0.0 O = 1.00
14 0.063 0.75 0.415 0.0 O = 1.00
15 0.523 0.75 0.172 0.0 O = 1.00
16 0.518 0.25 0.307 0.0 O = 1.00
17 0.615 0.25 0.102 0.0 O = 1.00
18 0.083 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 0.7571 0.75 0.1508
2 2 0.5988 0.75 0.4197
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.2941 0.25 0.2263
6 6 0.3431 0.75 0.0475
7 7 0.6831 0.25 0.2734
8 8 0.1881 0.75 0.3267
9 9 0.2376 0.988 0.0363
10 10 0.302 0.978 0.355
11 11 0.805 0.019 0.3479
12 12 0.062 0.25 0.135
13 13 0.049 0.75 0.153
14 14 0.063 0.75 0.415
15 15 0.523 0.75 0.172
16 16 0.518 0.25 0.307
17 17 0.615 0.25 0.102
18 18 0.083 0.25 0.425
19 1 0.2429 0.25 0.8492
20 2 0.4012 0.25 0.5803
21 3 0.0 0.5 0.0
22 4 0.0 0.5 0.5
23 5 0.7059 0.75 0.7737
24 6 0.6569 0.25 0.9525
25 7 0.3169 0.75 0.7266
26 8 0.8119 0.25 0.6733
27 9 0.7624 0.488 0.9637
28 10 0.698 0.478 0.645
29 11 0.195 0.519 0.6521
30 12 0.938 0.75 0.865
31 13 0.951 0.25 0.847
32 14 0.937 0.25 0.585
33 15 0.477 0.25 0.828
34 16 0.482 0.75 0.693
35 17 0.385 0.75 0.898
36 18 0.917 0.75 0.575
37 9 0.2376 0.512 0.0363
38 10 0.302 0.522 0.355
39 11 0.805 0.481 0.3479
40 9 0.7624 0.012 0.9637
41 10 0.698 0.022 0.645
42 11 0.195 0.981 0.6521
X-ray density (g/cm cub.) = 3.46
MU (1/cm) = 262.25 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
2.4031 11
2.583 13
2.8853 14
2.1804 15
2.4268 9
2.4031 11
2.4268 9
2 Ca 2.928 8
2.7485 10
2.7107 11
2.3097 15
2.5791 10
2.5781 18
2.7485 10
2.7107 11
2.5791 10
3 Al ,Fe ,Mn 2.772 6
1.9812 9
1.8801 12
2.006 13
1.8801 12
2.006 13
1.9812 9
4 Al 2.364 6
1.761 11
1.8635 14
1.8988 18
1.8635 14
1.8988 18
1.761 11
5 Fe ,Al ,Mn 2.772 6
2.3114 9
2.0006 10
1.8621 12
1.7962 16
2.3114 9
2.0006 10
6 Si 2.148 4
1.6156 9
1.5548 15
1.7125 17
1.6156 9
7 Si 2.148 4
1.6575 11
1.6422 16
1.5796 17
1.6575 11
8 Si 2.148 4
1.5869 10
1.6641 13
1.7019 14
1.5869 10
9 O 3.312 10
3.0381 10
2.6414 12
2.7803 13
2.6712 15
3.1749 16
2.8184 12
2.8581 13
2.661 17
2.9629 9
2.6914 9
10 O 3.312 8
3.0381 9
2.7954 12
2.6388 13
2.7662 14
2.6623 16
2.8006 18
3.0759 10
2.5784 10
11 O 3.312 9
2.5859 14
2.8172 15
2.7325 16
2.6789 17
2.599 18
2.5417 14
2.5803 18
2.6123 11
3.042 11
12 O 3.312 10
2.6414 9
2.7954 10
2.8386 13
2.8386 13
2.8721 18
2.8184 9
2.6571 13
2.6414 9
2.7954 10
2.8184 9
13 O 3.312 10
2.7803 9
2.6388 10
2.8386 12
2.8386 12
2.6117 14
2.8581 9
2.6571 12
2.7803 9
2.6388 10
2.8581 9
14 O 3.312 10
2.7662 10
2.5859 11
2.6117 13
2.8318 18
2.8318 18
2.5417 11
2.4773 18
2.7662 10
2.5859 11
2.5417 11
15 O 3.312 9
2.6712 9
2.8172 11
3.1511 16
3.1511 16
3.109 17
3.109 17
2.5149 17
2.6712 9
2.8172 11
16 O 3.312 9
3.1749 9
2.6623 10
2.7325 11
3.1511 15
3.1511 15
2.5738 17
3.1749 9
2.6623 10
2.7325 11
17 O 3.312 8
2.6789 11
3.109 15
3.109 15
2.5738 16
2.661 9
2.5149 15
2.6789 11
2.661 9
18 OH 3.36 10
2.8006 10
2.599 11
2.8721 12
2.8318 14
2.8318 14
2.5803 11
2.4773 14
2.8006 10
2.599 11
2.5803 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 5.593 11.186 0.054 207.6 2 8.7 14.7
2 1 0 0 6.403 12.806 0.062 157.86 2 15.1 33.7
3 1 0 -1 6.445 12.889 0.063 155.78 2 13.5 26.6
4 1 0 1 10.185 20.371 0.099 61.05 2 16.0 14.6
5 1 0 -2 10.265 20.53 0.1 60.07 2 57.3 185.8
6 0 1 1 10.708 21.416 0.104 55.03 4 3.3 1.1
7 1 1 0 11.16 22.32 0.108 50.49 4 12.7 15.3
8 1 1 -1 11.184 22.369 0.108 50.26 4 17.9 30.3
9 0 0 2 11.24 22.48 0.109 49.75 2 4.5 1.0
10 2 0 -1 11.62 23.24 0.113 46.41 2 2.8 0.3
11 2 0 0 12.887 25.775 0.125 37.35 2 52.6 97.2
12 2 0 -2 12.973 25.945 0.125 36.83 2 67.8 159.6
13 1 1 1 13.725 27.45 0.133 32.69 4 20.5 25.9
14 1 1 -2 13.786 27.571 0.133 32.38 4 18.6 21.0
15 0 1 2 14.539 29.077 0.14 28.92 4 1.2 0.1
16 2 1 -1 14.84 29.68 0.143 27.68 4 65.2 221.7
17 1 0 2 15.24 30.481 0.147 26.14 2 59.6 87.5
18 1 0 -3 15.332 30.664 0.148 25.81 2 12.9 4.1
19 2 1 0 15.869 31.738 0.153 23.96 4 9.8 4.4
20 2 1 -2 15.94 31.879 0.154 23.73 4 7.4 2.4
21 2 0 1 16.208 32.417 0.156 22.89 2 53.2 61.0
22 2 0 -3 16.347 32.693 0.157 22.47 2 13.6 3.9
23 0 0 3 17.0 34.0 0.163 20.64 2 37.0 26.6
24 3 0 -1 17.797 35.593 0.171 18.68 2 19.5 6.7
25 3 0 -2 17.845 35.689 0.171 18.57 2 78.4 107.3
26 1 1 2 17.866 35.732 0.171 18.52 4 19.0 12.6
27 1 1 -3 17.946 35.892 0.172 18.34 4 139.6 672.6
28 0 2 0 18.444 36.889 0.177 17.27 2 127.1 262.6
29 2 1 1 18.714 37.427 0.179 16.73 4 43.1 58.5
30 2 1 -3 18.836 37.672 0.18 16.49 4 30.2 28.4
31 0 2 1 19.333 38.665 0.185 15.56 4 8.6 2.2
32 0 1 3 19.416 38.832 0.186 15.42 4 91.5 243.0
33 3 0 0 19.545 39.091 0.187 15.19 2 86.2 106.4
34 1 2 0 19.601 39.201 0.188 15.1 4 76.1 164.8
35 1 2 -1 19.615 39.231 0.188 15.07 4 8.5 2.0
36 3 0 -3 19.678 39.356 0.188 14.97 2 11.7 1.9
37 3 1 -1 20.13 40.26 0.192 14.23 4 103.2 285.2
38 3 1 -2 20.173 40.346 0.193 14.16 4 18.6 9.3
39 2 0 2 20.712 41.423 0.198 13.35 2 92.0 106.4
40 1 0 3 20.785 41.57 0.198 13.25 2 5.0 0.3
41 2 0 -4 20.88 41.76 0.199 13.11 2 20.3 5.1
42 1 0 -4 20.883 41.766 0.199 13.11 2 48.2 28.7
43 1 2 1 21.251 42.501 0.203 12.61 4 13.7 4.5
44 1 2 -2 21.292 42.584 0.203 12.55 4 54.5 70.3
45 3 1 0 21.72 43.439 0.207 12.0 4 14.7 4.9
46 0 2 2 21.815 43.629 0.208 11.89 4 90.6 183.7
47 3 1 -3 21.841 43.683 0.208 11.85 4 97.0 210.1
48 2 2 -1 22.028 44.056 0.21 11.63 4 36.4 29.1
49 3 0 1 22.741 45.481 0.216 10.82 2 28.4 8.2
50 2 2 0 22.774 45.548 0.216 10.79 4 14.4 4.2
51 2 1 2 22.795 45.589 0.217 10.77 4 25.9 13.6
52 2 2 -2 22.826 45.652 0.217 10.73 4 56.8 65.3
53 1 1 3 22.863 45.725 0.217 10.69 4 37.3 28.0
54 3 0 -4 22.936 45.872 0.218 10.62 2 41.3 17.1
55 0 0 4 22.944 45.888 0.218 10.61 2 13.0 1.7
56 2 1 -4 22.951 45.901 0.218 10.6 4 37.2 27.5
57 1 1 -4 22.953 45.907 0.218 10.6 4 26.4 13.9
58 4 0 -2 23.756 47.513 0.225 9.8 2 15.0 2.1
59 1 2 2 24.289 48.578 0.23 9.32 4 11.8 2.5
60 1 2 -3 24.351 48.702 0.23 9.27 4 53.8 50.6
61 4 0 -1 24.436 48.873 0.231 9.2 2 116.3 117.0
62 4 0 -3 24.535 49.07 0.232 9.11 2 46.2 18.3
63 3 1 1 24.688 49.376 0.233 8.98 4 7.5 0.9
64 3 1 -4 24.871 49.743 0.235 8.83 4 6.4 0.7
65 0 1 4 24.879 49.758 0.235 8.83 4 25.5 10.8
66 2 2 1 24.955 49.911 0.236 8.77 4 88.4 128.9
67 2 2 -3 25.053 50.105 0.237 8.69 4 86.0 121.0
68 0 2 3 25.518 51.035 0.241 8.33 4 81.7 104.8
69 4 1 -2 25.645 51.29 0.242 8.24 4 17.2 4.6
70 2 0 3 25.932 51.865 0.244 8.03 2 76.4 44.2
71 3 2 -1 26.098 52.195 0.246 7.92 4 27.5 11.3
72 2 0 -5 26.121 52.242 0.246 7.9 2 11.0 0.9
73 3 2 -2 26.133 52.266 0.246 7.89 4 12.7 2.4
74 4 1 -1 26.289 52.578 0.248 7.79 4 3.8 0.2
75 4 1 -3 26.383 52.765 0.248 7.72 4 9.5 1.3
76 4 0 0 26.492 52.983 0.249 7.65 2 74.9 40.4
77 4 0 -4 26.678 53.356 0.251 7.53 2 14.6 1.5
78 1 0 4 26.69 53.38 0.251 7.52 2 18.2 2.4
79 1 0 -5 26.794 53.588 0.252 7.46 2 47.7 16.0
80 3 0 2 26.987 53.975 0.254 7.33 2 8.7 0.5
81 3 0 -5 27.228 54.457 0.256 7.19 2 31.4 6.7
82 3 2 0 27.417 54.833 0.257 7.08 4 12.9 2.2
83 3 2 -3 27.519 55.038 0.258 7.02 4 18.9 4.7
84 2 1 3 27.713 55.426 0.26 6.91 4 44.4 25.6
85 2 1 -5 27.893 55.787 0.262 6.8 4 6.3 0.5
86 4 1 0 28.248 56.496 0.265 6.61 4 4.8 0.3
87 2 2 2 28.329 56.657 0.265 6.57 4 74.7 69.0
88 1 2 3 28.387 56.773 0.266 6.54 4 15.1 2.8
89 4 1 -4 28.426 56.852 0.266 6.52 4 6.1 0.5
90 1 1 4 28.438 56.876 0.266 6.51 4 40.5 20.1
91 2 2 -4 28.462 56.924 0.266 6.5 4 91.4 102.3
92 1 2 -4 28.464 56.929 0.266 6.5 4 54.8 36.7
93 1 1 -5 28.538 57.075 0.267 6.46 4 44.4 24.0
94 3 1 2 28.723 57.446 0.269 6.37 4 40.3 19.5
95 3 1 -5 28.954 57.909 0.271 6.25 4 12.7 1.9
96 0 3 1 28.978 57.956 0.271 6.24 4 0.1 0.0
97 0 0 5 29.163 58.325 0.272 6.15 2 30.7 5.4
98 1 3 0 29.176 58.353 0.273 6.15 4 34.4 13.7
99 1 3 -1 29.187 58.375 0.273 6.14 4 12.7 1.9
100 4 0 1 29.723 59.445 0.277 5.89 2 28.9 4.6
101 3 2 1 29.969 59.937 0.279 5.79 4 19.3 4.1
102 4 0 -5 29.981 59.963 0.279 5.78 2 7.3 0.3
103 3 2 -4 30.13 60.26 0.281 5.72 4 2.8 0.1
104 0 2 4 30.136 60.273 0.281 5.72 4 41.8 18.8
105 5 0 -2 30.365 60.73 0.283 5.62 2 72.3 27.7
106 5 0 -3 30.418 60.837 0.283 5.6 2 26.0 3.6
107 1 3 1 30.428 60.855 0.283 5.59 4 23.6 5.9
108 1 3 -2 30.459 60.919 0.283 5.58 4 19.3 3.9
109 4 2 -2 30.813 61.625 0.286 5.44 4 37.7 14.6
110 0 1 5 30.819 61.637 0.286 5.44 4 45.7 21.4
111 0 3 2 30.867 61.733 0.287 5.42 4 2.6 0.1
112 2 3 -1 31.034 62.068 0.288 5.35 4 52.3 27.6
113 4 1 1 31.361 62.721 0.291 5.23 4 6.6 0.4
114 4 2 -1 31.386 62.772 0.291 5.22 4 19.3 3.7
115 4 2 -3 31.47 62.939 0.292 5.19 4 22.5 4.9
116 5 0 -1 31.546 63.092 0.292 5.16 2 6.7 0.2
117 4 1 -5 31.612 63.223 0.293 5.14 4 68.6 45.5
118 2 3 0 31.626 63.252 0.293 5.14 4 8.9 0.8
119 2 3 -2 31.668 63.335 0.293 5.12 4 5.4 0.3
120 5 0 -4 31.703 63.405 0.294 5.11 2 19.5 1.8
121 2 0 4 31.718 63.435 0.294 5.1 2 45.3 9.8
122 2 0 -6 31.925 63.851 0.296 5.03 2 60.3 17.2
123 5 1 -2 31.984 63.968 0.296 5.01 4 46.9 20.8
124 5 1 -3 32.036 64.072 0.297 4.99 4 37.7 13.3
125 3 0 3 32.039 64.078 0.297 4.99 2 19.4 1.8
126 3 0 -6 32.318 64.636 0.299 4.9 2 80.8 30.1
127 2 2 3 32.667 65.334 0.302 4.79 4 7.7 0.5
128 2 2 -5 32.831 65.662 0.303 4.74 4 25.9 6.0
129 1 3 2 32.855 65.71 0.303 4.73 4 10.3 0.9
130 1 3 -3 32.906 65.812 0.304 4.71 4 89.0 70.3
131 1 0 5 32.996 65.991 0.304 4.69 2 42.1 7.8
132 1 0 -6 33.108 66.215 0.305 4.65 2 134.2 78.9
133 5 1 -1 33.133 66.265 0.306 4.64 4 99.2 86.0
134 4 2 0 33.153 66.306 0.306 4.64 4 47.6 19.8
135 5 1 -4 33.285 66.57 0.307 4.6 4 27.2 6.4
136 2 1 4 33.3 66.599 0.307 4.6 4 45.3 17.7
137 4 2 -4 33.316 66.631 0.307 4.59 4 114.5 113.2
138 1 2 4 33.326 66.652 0.307 4.59 4 65.3 36.8
139 2 3 1 33.406 66.813 0.308 4.56 4 32.3 9.0
140 1 2 -5 33.417 66.835 0.308 4.56 4 6.3 0.3
141 2 3 -3 33.487 66.975 0.308 4.54 4 19.9 3.4
142 2 1 -6 33.502 67.005 0.309 4.54 4 29.4 7.4
143 3 2 2 33.587 67.173 0.309 4.51 4 68.9 40.4
144 3 1 3 33.613 67.226 0.309 4.51 4 15.4 2.0
145 3 2 -5 33.798 67.597 0.311 4.45 4 9.2 0.7
146 0 3 3 33.877 67.753 0.312 4.43 4 69.5 40.3
147 3 1 -6 33.885 67.77 0.312 4.43 4 5.4 0.2
148 5 0 0 33.889 67.778 0.312 4.43 2 20.4 1.7
149 4 0 2 33.936 67.871 0.312 4.42 2 3.0 0.0
150 5 0 -5 34.14 68.28 0.314 4.36 2 19.4 1.5
151 4 0 -6 34.256 68.513 0.315 4.33 2 138.0 77.7
152 3 3 -1 34.366 68.732 0.316 4.3 4 92.7 69.6
153 3 3 -2 34.396 68.792 0.316 4.29 4 29.9 7.2
154 1 1 5 34.547 69.095 0.317 4.26 4 64.2 33.0
155 1 1 -6 34.657 69.314 0.318 4.23 4 27.9 6.2
156 5 1 0 35.422 70.844 0.324 4.05 4 57.1 24.8
157 4 1 2 35.467 70.935 0.324 4.04 4 71.6 39.0
158 3 3 0 35.496 70.991 0.325 4.03 4 24.0 4.4
159 0 2 5 35.52 71.04 0.325 4.02 4 5.5 0.2
160 3 3 -3 35.584 71.169 0.325 4.01 4 65.1 32.0
161 5 1 -5 35.668 71.336 0.326 3.99 4 23.5 4.2
162 4 1 -6 35.782 71.564 0.327 3.97 4 12.9 1.2
163 0 0 6 35.785 71.57 0.327 3.97 2 41.1 6.3
164 4 2 1 36.026 72.051 0.329 3.91 4 5.0 0.2
165 4 2 -5 36.26 72.52 0.331 3.87 4 42.4 13.1
166 2 3 2 36.289 72.578 0.331 3.86 4 21.2 3.3
167 1 3 3 36.34 72.68 0.331 3.85 4 14.5 1.5
168 2 3 -4 36.406 72.812 0.332 3.84 4 21.6 3.4
169 1 3 -4 36.408 72.816 0.332 3.83 4 11.4 0.9
170 5 2 -2 36.609 73.218 0.333 3.79 4 17.8 2.3
171 5 2 -3 36.658 73.316 0.334 3.79 4 12.3 1.1
172 6 0 -3 37.176 74.353 0.338 3.69 2 58.8 12.0
173 0 1 6 37.284 74.568 0.339 3.67 4 8.1 0.5
174 5 0 1 37.291 74.583 0.339 3.67 2 7.7 0.2
175 5 0 -6 37.629 75.258 0.341 3.61 2 51.5 9.0
176 6 0 -2 37.682 75.364 0.342 3.6 2 11.1 0.4
177 5 2 -1 37.691 75.383 0.342 3.6 4 33.8 7.7
178 3 3 1 37.74 75.481 0.342 3.59 4 6.3 0.3
179 6 0 -4 37.798 75.595 0.343 3.58 2 91.2 28.0
180 3 0 4 37.816 75.631 0.343 3.57 2 74.3 18.6
181 5 2 -4 37.836 75.671 0.343 3.57 4 115.4 89.5
182 2 2 4 37.85 75.699 0.343 3.57 4 59.5 23.8
183 3 3 -4 37.885 75.769 0.343 3.56 4 1.3 0.0
184 0 3 4 37.891 75.781 0.343 3.56 4 19.2 2.5
185 2 2 -6 38.042 76.083 0.344 3.54 4 60.9 24.7
186 2 0 5 38.089 76.178 0.345 3.53 2 3.3 0.0
187 3 0 -7 38.132 76.265 0.345 3.52 2 2.0 0.0
188 3 2 3 38.147 76.293 0.345 3.52 4 35.1 8.1
189 2 0 -7 38.319 76.638 0.347 3.49 2 30.8 3.1
190 3 2 -6 38.405 76.81 0.347 3.48 4 99.4 64.7
191 4 3 -2 38.499 76.998 0.348 3.46 4 8.6 0.5
192 6 1 -3 38.655 77.311 0.349 3.44 4 15.5 1.6
193 5 1 1 38.769 77.538 0.35 3.42 4 31.3 6.3
194 4 3 -1 39.018 78.036 0.352 3.39 4 2.6 0.0
195 4 0 3 39.026 78.052 0.352 3.39 2 54.3 9.4
196 1 2 5 39.036 78.072 0.352 3.38 4 17.6 2.0
197 4 3 -3 39.094 78.188 0.353 3.38 4 1.3 0.0
198 5 1 -6 39.102 78.204 0.353 3.37 4 0.9 0.0
199 1 2 -6 39.141 78.282 0.353 3.37 4 25.2 4.0
200 6 1 -2 39.155 78.31 0.353 3.37 4 27.6 4.8
201 0 4 0 39.254 78.509 0.354 3.35 2 230.6 167.9
202 6 1 -4 39.269 78.538 0.354 3.35 4 23.4 3.4
203 3 1 4 39.287 78.573 0.354 3.35 4 10.6 0.7
204 6 0 -1 39.301 78.602 0.354 3.35 2 17.9 1.0
205 4 0 -7 39.406 78.812 0.355 3.33 2 10.0 0.3
206 6 0 -5 39.529 79.057 0.356 3.32 2 35.5 3.9
207 2 1 5 39.557 79.114 0.356 3.31 4 81.0 40.9
208 3 1 -7 39.6 79.2 0.356 3.31 4 36.8 8.4
209 2 1 -7 39.784 79.569 0.358 3.28 4 36.9 8.4
210 0 4 1 39.809 79.617 0.358 3.28 4 7.0 0.3
211 1 0 6 39.837 79.674 0.358 3.28 2 10.9 0.4
212 5 2 0 39.873 79.747 0.358 3.27 4 53.8 17.8
213 4 2 2 39.917 79.834 0.359 3.27 4 140.5 121.3
214 1 0 -7 39.96 79.92 0.359 3.26 2 37.2 4.2
215 1 4 0 39.98 79.959 0.359 3.26 4 7.6 0.4
216 1 4 -1 39.989 79.978 0.359 3.26 4 8.6 0.5
217 5 2 -5 40.11 80.219 0.36 3.24 4 6.3 0.2
218 2 3 3 40.191 80.382 0.361 3.23 4 34.6 7.3
219 4 2 -6 40.219 80.439 0.361 3.23 4 24.9 3.8
220 2 3 -5 40.342 80.684 0.362 3.21 4 10.1 0.6
221 4 1 3 40.484 80.968 0.363 3.2 4 1.1 0.0
222 4 3 0 40.64 81.28 0.364 3.18 4 4.7 0.1
223 6 1 -1 40.757 81.513 0.365 3.16 4 40.7 9.8
224 4 3 -4 40.791 81.581 0.365 3.16 4 10.4 0.6
225 1 3 4 40.8 81.601 0.365 3.16 4 42.9 11.0
226 4 1 -7 40.861 81.722 0.366 3.15 4 39.1 9.1
227 1 3 -5 40.885 81.77 0.366 3.15 4 34.2 6.9
228 6 1 -5 40.982 81.965 0.367 3.14 4 11.6 0.8
229 3 3 2 41.043 82.085 0.367 3.13 4 16.6 1.6
230 1 4 1 41.072 82.144 0.367 3.13 4 7.4 0.3
231 1 4 -2 41.1 82.201 0.367 3.13 4 33.0 6.4
232 3 3 -5 41.24 82.48 0.368 3.11 4 19.8 2.3
233 1 1 6 41.288 82.577 0.369 3.11 4 1.5 0.0
234 1 1 -7 41.41 82.821 0.37 3.1 4 7.6 0.3
235 0 4 2 41.461 82.921 0.37 3.09 4 3.2 0.1
236 2 4 -1 41.609 83.219 0.371 3.08 4 0.8 0.0
237 0 2 6 41.671 83.342 0.372 3.07 4 69.6 28.0
238 5 0 2 41.684 83.367 0.372 3.07 2 85.4 21.1
239 6 0 0 41.998 83.996 0.374 3.04 2 22.0 1.4
240 5 0 -7 42.105 84.21 0.375 3.03 2 11.8 0.4
241 2 4 0 42.138 84.276 0.375 3.03 4 28.6 4.7
242 2 4 -2 42.176 84.351 0.375 3.02 4 38.3 8.4
243 6 0 -6 42.335 84.669 0.376 3.01 2 18.5 1.0
244 0 3 5 42.859 85.718 0.38 2.96 4 40.7 9.2
245 6 2 -3 43.007 86.014 0.381 2.95 4 54.3 16.4
246 0 0 7 43.016 86.032 0.381 2.95 2 23.7 1.6
247 5 2 1 43.118 86.236 0.382 2.95 4 15.7 1.4
248 5 1 2 43.124 86.247 0.382 2.94 4 24.2 3.2
249 1 4 2 43.251 86.502 0.383 2.94 4 36.2 7.2
250 1 4 -3 43.297 86.595 0.383 2.93 4 9.9 0.5
251 4 3 1 43.34 86.679 0.384 2.93 4 6.0 0.2
252 6 1 0 43.436 86.873 0.384 2.92 4 27.6 4.2
253 5 2 -6 43.444 86.889 0.384 2.92 4 42.2 9.8
254 6 2 -2 43.496 86.992 0.385 2.92 4 71.5 28.1
255 5 1 -7 43.543 87.087 0.385 2.91 4 0.4 0.0
256 4 3 -5 43.563 87.127 0.385 2.91 4 57.8 18.3
257 6 2 -4 43.608 87.216 0.386 2.91 4 72.8 29.0
258 3 2 4 43.625 87.251 0.386 2.91 4 4.8 0.1
259 2 4 1 43.757 87.513 0.387 2.9 4 35.8 7.0
260 6 1 -6 43.772 87.544 0.387 2.9 4 24.5 3.3
261 2 4 -3 43.831 87.662 0.387 2.9 4 0.8 0.0
262 2 2 5 43.891 87.782 0.388 2.89 4 39.2 8.3
263 5 3 -2 43.897 87.795 0.388 2.89 4 48.1 12.6
264 3 2 -7 43.933 87.866 0.388 2.89 4 18.4 1.8
265 5 3 -3 43.944 87.888 0.388 2.89 4 25.5 3.5
266 2 2 -7 44.114 88.229 0.389 2.88 4 11.9 0.8
267 0 4 3 44.19 88.381 0.39 2.87 4 17.0 1.6
268 3 0 5 44.393 88.786 0.391 2.86 2 63.1 10.7
269 0 1 7 44.451 88.903 0.391 2.86 4 55.2 16.4
270 3 4 -1 44.645 89.29 0.393 2.85 4 13.0 0.9
271 3 4 -2 44.673 89.346 0.393 2.85 4 54.2 15.7
272 3 0 -8 44.756 89.512 0.394 2.84 2 88.7 21.0
273 4 2 3 44.804 89.608 0.394 2.84 4 72.7 28.2
274 7 0 -3 44.932 89.863 0.395 2.83 2 28.6 2.2
275 5 3 -1 44.939 89.879 0.395 2.83 4 98.4 51.6
276 7 0 -4 44.997 89.993 0.395 2.83 2 29.6 2.3
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 5.593 11.186 9.17793 14.7 2.2 2.2 5.6
2 1 0 0 6.403 12.806 8.02082 33.7 5.0 5.1 5.6
3 1 0 -1 6.445 12.889 7.96893 26.6 4.0 4.0 5.6
4 1 0 1 10.185 20.371 5.05824 14.6 2.2 2.2 5.6
5 1 0 -2 10.265 20.53 5.01927 185.8 27.6 28.0 5.6
6 1 1 -1 11.184 22.369 4.61141 45.6 6.8 6.9 5.6
7 2 0 0 12.887 25.775 4.01041 97.2 14.4 14.6 5.6
8 2 0 -2 12.973 25.945 3.98447 159.6 23.7 23.9 5.6
9 1 1 1 13.725 27.45 3.7699 25.9 3.8 3.9 5.6
10 1 1 -2 13.786 27.571 3.75368 21.0 3.1 3.2 5.6
11 2 1 -1 14.84 29.68 3.49239 221.7 33.0 33.1 5.6
12 1 0 2 15.24 30.481 3.40271 87.5 13.0 13.1 5.6
13 2 0 1 16.208 32.417 3.20446 61.0 9.1 9.1 5.6
14 0 0 3 17.0 34.0 3.05931 26.6 4.0 4.0 5.7
15 3 0 -2 17.845 35.689 2.9189 119.9 17.8 17.8 5.7
16 1 1 -3 17.946 35.892 2.90299 672.6 100.0 100.0 5.7
17 0 2 0 18.444 36.889 2.82715 262.6 39.0 39.0 5.7
18 2 1 1 18.714 37.427 2.78788 58.5 8.7 8.7 5.7
19 2 1 -3 18.836 37.672 2.77044 28.4 4.2 4.2 5.7
20 0 1 3 19.416 38.832 2.69071 243.0 36.1 36.0 5.7
21 3 0 0 19.545 39.091 2.67361 106.4 15.8 15.8 5.7
22 1 2 0 19.601 39.201 2.66636 166.8 24.8 24.7 5.7
23 3 1 -1 20.13 40.26 2.59902 285.2 42.4 42.2 5.7
24 3 1 -2 20.173 40.346 2.59369 9.3 1.4 1.4 5.7
25 2 0 2 20.712 41.423 2.52912 106.4 15.8 15.7 5.7
26 1 0 -4 20.883 41.766 2.5093 33.8 5.0 5.0 5.7
27 1 2 -2 21.292 42.584 2.46328 70.3 10.5 10.4 5.7
28 3 1 -3 21.841 43.683 2.40422 393.9 58.6 58.1 5.7
29 2 2 -1 22.028 44.056 2.38485 29.1 4.3 4.3 5.7
30 3 0 1 22.741 45.481 2.31389 8.2 1.2 1.2 5.7
31 2 1 2 22.795 45.589 2.30869 17.8 2.6 2.6 5.7
32 2 2 -2 22.826 45.652 2.30571 65.3 9.7 9.6 5.7
33 1 1 3 22.863 45.725 2.30221 28.0 4.2 4.1 5.7
34 2 1 -4 22.951 45.901 2.29384 60.2 8.9 8.9 5.7
35 1 2 -3 24.351 48.702 2.16932 50.6 7.5 7.4 5.7
36 4 0 -1 24.436 48.873 2.16219 117.0 17.4 17.2 5.7
37 4 0 -3 24.535 49.07 2.15402 18.3 2.7 2.7 5.7
38 0 1 4 24.879 49.758 2.1261 10.8 1.6 1.6 5.7
39 2 2 1 24.955 49.911 2.12001 128.9 19.2 18.9 5.7
40 2 2 -3 25.053 50.105 2.11231 121.0 18.0 17.7 5.7
41 0 2 3 25.518 51.035 2.07633 104.8 15.6 15.3 5.8
42 2 0 3 25.932 51.865 2.04537 44.2 6.6 6.5 5.8
43 3 2 -1 26.098 52.195 2.03332 12.2 1.8 1.8 5.8
44 4 0 0 26.492 52.983 2.00521 40.4 6.0 5.9 5.8
45 1 0 -5 26.794 53.588 1.98422 16.0 2.4 2.3 5.8
46 2 1 3 27.713 55.426 1.9234 25.6 3.8 3.7 5.8
47 2 2 2 28.329 56.657 1.88495 69.0 10.3 10.0 5.8
48 1 2 -4 28.464 56.929 1.8767 159.2 23.7 23.1 5.8
49 1 1 -5 28.538 57.075 1.87228 24.0 3.6 3.5 5.8
50 3 1 2 28.723 57.446 1.86122 19.5 2.9 2.8 5.8
51 1 3 0 29.176 58.353 1.83479 21.0 3.1 3.0 5.8
52 0 2 4 30.136 60.273 1.78157 18.8 2.8 2.7 5.8
53 5 0 -2 30.365 60.73 1.76943 27.7 4.1 4.0 5.8
54 1 3 1 30.428 60.855 1.76614 9.4 1.4 1.4 5.8
55 0 1 5 30.819 61.637 1.74589 36.0 5.4 5.2 5.8
56 2 3 -1 31.034 62.068 1.73496 27.6 4.1 4.0 5.8
57 4 1 -5 31.612 63.223 1.70647 46.3 6.9 6.7 5.9
58 2 0 4 31.718 63.435 1.70135 11.7 1.7 1.7 5.9
59 2 0 -6 31.925 63.851 1.69144 17.2 2.6 2.5 5.9
60 5 1 -2 31.984 63.968 1.68867 20.8 3.1 3.0 5.9
61 5 1 -3 32.036 64.072 1.68623 15.1 2.2 2.2 5.9
62 3 0 -6 32.318 64.636 1.67309 30.1 4.5 4.3 5.9
63 2 2 -5 32.831 65.662 1.64981 6.9 1.0 1.0 5.9
64 1 3 -3 32.906 65.812 1.64647 70.3 10.5 10.1 5.9
65 1 0 5 32.996 65.991 1.64249 7.8 1.2 1.1 5.9
66 5 1 -1 33.133 66.265 1.63647 184.7 27.5 26.4 5.9
67 4 2 -4 33.316 66.631 1.62851 174.1 25.9 24.9 5.9
68 2 3 1 33.406 66.813 1.62459 9.3 1.4 1.3 5.9
69 2 1 -6 33.502 67.005 1.62049 10.7 1.6 1.5 5.9
70 3 2 2 33.587 67.173 1.61689 42.4 6.3 6.1 5.9
71 0 3 3 33.877 67.753 1.60468 42.3 6.3 6.0 5.9
72 4 0 -6 34.256 68.513 1.58903 77.7 11.6 11.1 5.9
73 3 3 -1 34.366 68.732 1.58458 69.6 10.3 9.9 5.9
74 3 3 -2 34.396 68.792 1.58337 7.2 1.1 1.0 5.9
75 1 1 5 34.547 69.095 1.57729 33.0 4.9 4.7 5.9
76 5 1 0 35.422 70.844 1.54326 24.8 3.7 3.5 5.9
77 4 1 2 35.467 70.935 1.54154 43.3 6.4 6.2 5.9
78 3 3 -3 35.584 71.169 1.53714 32.0 4.8 4.5 5.9
79 0 0 6 35.785 71.57 1.52966 7.6 1.1 1.1 5.9
80 4 2 -5 36.26 72.52 1.51231 16.4 2.4 2.3 5.9
81 6 0 -3 37.176 74.353 1.48023 12.0 1.8 1.7 6.0
82 5 0 -6 37.629 75.258 1.46502 9.0 1.3 1.3 6.0
83 5 2 -1 37.691 75.383 1.46295 7.7 1.1 1.1 6.0
84 6 0 -4 37.798 75.595 1.45945 46.6 6.9 6.6 6.0
85 5 2 -4 37.836 75.671 1.4582 113.3 16.8 15.9 6.0
86 2 2 -6 38.042 76.083 1.45149 24.7 3.7 3.5 6.0
87 3 2 3 38.147 76.293 1.4481 8.1 1.2 1.1 6.0
88 3 2 -6 38.405 76.81 1.43985 64.7 9.6 9.1 6.0
89 4 0 3 39.026 78.052 1.42052 11.4 1.7 1.6 6.0
90 6 1 -2 39.155 78.31 1.41659 8.9 1.3 1.2 6.0
91 0 4 0 39.254 78.509 1.41357 171.3 25.5 23.9 6.0
92 2 1 5 39.557 79.114 1.40451 44.9 6.7 6.3 6.0
93 3 1 -7 39.6 79.2 1.40325 8.4 1.3 1.2 6.0
94 2 1 -7 39.784 79.569 1.39781 8.7 1.3 1.2 6.0
95 5 2 0 39.873 79.747 1.39521 17.8 2.6 2.5 6.0
96 4 2 2 39.917 79.834 1.39394 121.3 18.0 16.9 6.0
97 2 3 3 40.191 80.382 1.38604 11.0 1.6 1.5 6.0
98 6 1 -1 40.757 81.513 1.37009 9.8 1.5 1.4 6.1
99 1 3 4 40.8 81.601 1.36888 11.0 1.6 1.5 6.1
100 4 1 -7 40.861 81.722 1.36721 16.0 2.4 2.2 6.1
101 0 2 6 41.671 83.342 1.34536 49.1 7.3 6.8 6.1
102 2 4 -2 42.176 84.351 1.33222 8.4 1.2 1.2 6.1
103 0 3 5 42.859 85.718 1.315 9.2 1.4 1.3 6.1
104 6 2 -3 43.007 86.014 1.31136 17.9 2.7 2.5 6.1
105 1 4 2 43.251 86.502 1.30541 7.2 1.1 1.0 6.1
106 5 2 -6 43.444 86.889 1.30075 14.0 2.1 1.9 6.1
107 6 2 -2 43.496 86.992 1.29951 28.1 4.2 3.8 6.1
108 4 3 -5 43.563 87.127 1.2979 18.3 2.7 2.5 6.2
109 6 2 -4 43.608 87.216 1.29685 29.1 4.3 4.0 6.2
110 2 4 1 43.757 87.513 1.29333 10.3 1.5 1.4 6.2
111 5 3 -2 43.897 87.795 1.29002 21.0 3.1 2.9 6.2
112 3 0 5 44.393 88.786 1.27857 10.7 1.6 1.5 6.2
113 0 1 7 44.451 88.903 1.27724 16.4 2.4 2.2 6.2
114 3 4 -2 44.673 89.346 1.27224 15.7 2.3 2.1 6.2
115 3 0 -8 44.756 89.512 1.27037 21.0 3.1 2.9 6.2
116 4 2 3 44.804 89.608 1.2693 28.2 4.2 3.8 6.2
117 5 3 -1 44.939 89.879 1.2663 53.8 8.0 7.3 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)
|