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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EUCRYPTITE
1, alpha, t-phenakite
LiAlSiO(4)
Hexagonal R 3(-) Z = 18
R =0.043 NR =1721
13 .12 .1988
Ref.Str.:
K.F. Hesse (1985)
* Z. Kristallogr., 172, 147-151
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.471 alpha = 90.0
b = 13.471 beta = 90.0
c = 8.998 gamma = 120.0
Unit cell volume (cub. angs.) = 1414.09
Molar volume ( cub.cm/mol.) = 47.32
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0198 0.8125 0.7513 0.0 Li = 1.00
2 0.5302 0.8807 0.7495 0.0 Al = 0.5 , Si = 0.5
3 0.8753 0.3444 0.916 0.0 Al = 0.5 , Si = 0.5
4 0.7594 0.2133 0.894 0.0 O = 1.00
5 0.7325 0.199 0.5844 0.0 O = 1.00
6 0.1005 0.8844 0.9415 0.0 O = 1.00
7 0.659 0.0026 0.7496 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0198 0.8125 0.7513
2 2 0.5302 0.8807 0.7495
3 3 0.8753 0.3444 0.916
4 4 0.7594 0.2133 0.894
5 5 0.7325 0.199 0.5844
6 6 0.1005 0.8844 0.9415
7 7 0.659 0.0026 0.7496
8 1 0.1875 0.2073 0.7513
9 1 0.7927 0.9802 0.7513
10 2 0.1193 0.6495 0.7495
11 2 0.3505 0.4698 0.7495
12 3 0.6556 0.5309 0.916
13 3 0.4691 0.1247 0.916
14 4 0.7867 0.5461 0.894
15 4 0.4539 0.2406 0.894
16 5 0.801 0.5335 0.5844
17 5 0.4665 0.2675 0.5844
18 6 0.1156 0.2161 0.9415
19 6 0.7839 0.8995 0.9415
20 7 0.9974 0.6564 0.7496
21 7 0.3436 0.341 0.7496
22 1 0.8542 0.5406 0.0846
23 1 0.126 0.6469 0.418
24 2 0.786 0.9828 0.0828
25 2 0.6838 0.1365 0.4162
26 3 0.3223 0.8642 0.2493
27 3 0.8024 0.7914 0.5827
28 4 0.4534 0.8794 0.2273
29 4 0.7872 0.9073 0.5607
30 5 0.4677 0.8668 0.9177
31 5 0.7998 0.9342 0.2511
32 6 0.7823 0.5494 0.2748
33 6 0.1172 0.5662 0.6082
34 7 0.6641 0.9897 0.0829
35 7 0.6769 0.0077 0.4163
36 1 0.4594 0.3135 0.0846
37 1 0.3531 0.4792 0.418
38 1 0.6865 0.1458 0.0846
39 1 0.5208 0.8739 0.418
40 2 0.0172 0.8031 0.0828
41 2 0.8635 0.5474 0.4162
42 2 0.1969 0.214 0.0828
43 2 0.4526 0.3162 0.4162
44 3 0.1358 0.458 0.2493
45 3 0.2086 0.0111 0.5827
46 3 0.542 0.6777 0.2493
47 3 0.9889 0.1975 0.5827
48 4 0.1206 0.5739 0.2273
49 4 0.0927 0.88 0.5607
50 4 0.4261 0.5466 0.2273
51 4 0.12 0.2127 0.5607
52 5 0.1332 0.6008 0.9177
53 5 0.0658 0.8657 0.2511
54 5 0.3992 0.5323 0.9177
55 5 0.1343 0.2001 0.2511
56 6 0.4506 0.2328 0.2748
57 6 0.4338 0.5511 0.6082
58 6 0.7672 0.2177 0.2748
59 6 0.4489 0.8827 0.6082
60 7 0.0103 0.6743 0.0829
61 7 0.9923 0.6693 0.4163
62 7 0.3257 0.3359 0.0829
63 7 0.3307 0.323 0.4163
64 1 0.9802 0.1875 0.2487
65 2 0.4698 0.1193 0.2505
66 3 0.1247 0.6556 0.084
67 4 0.2406 0.7867 0.106
68 5 0.2675 0.801 0.4156
69 6 0.8995 0.1156 0.0585
70 7 0.341 0.9974 0.2504
71 1 0.8125 0.7927 0.2487
72 1 0.2073 0.0198 0.2487
73 2 0.8807 0.3505 0.2505
74 2 0.6495 0.5302 0.2505
75 3 0.3444 0.4691 0.084
76 3 0.5309 0.8753 0.084
77 4 0.2133 0.4539 0.106
78 4 0.5461 0.7594 0.106
79 5 0.199 0.4665 0.4156
80 5 0.5335 0.7325 0.4156
81 6 0.8844 0.7839 0.0585
82 6 0.2161 0.1005 0.0585
83 7 0.0026 0.3436 0.2504
84 7 0.6564 0.659 0.2504
85 1 0.1458 0.4594 0.9154
86 1 0.874 0.3531 0.582
87 2 0.214 0.0172 0.9172
88 2 0.3162 0.8635 0.5838
89 3 0.6777 0.1358 0.7507
90 3 0.1976 0.2086 0.4173
91 4 0.5466 0.1206 0.7727
92 4 0.2128 0.0927 0.4393
93 5 0.5323 0.1332 0.0823
94 5 0.2002 0.0658 0.7489
95 6 0.2177 0.4506 0.7252
96 6 0.8828 0.4338 0.3918
97 7 0.3359 0.0103 0.9171
98 7 0.3231 0.9923 0.5837
99 1 0.5406 0.6865 0.9154
100 1 0.6469 0.5208 0.582
101 1 0.3135 0.8542 0.9154
102 1 0.4792 0.1261 0.582
103 2 0.9828 0.1969 0.9172
104 2 0.1365 0.4526 0.5838
105 2 0.8031 0.786 0.9172
106 2 0.5474 0.6838 0.5838
107 3 0.8642 0.542 0.7507
108 3 0.7914 0.9889 0.4173
109 3 0.458 0.3223 0.7507
110 3 0.0111 0.8025 0.4173
111 4 0.8794 0.4261 0.7727
112 4 0.9073 0.12 0.4393
113 4 0.5739 0.4534 0.7727
114 4 0.88 0.7873 0.4393
115 5 0.8668 0.3992 0.0823
116 5 0.9342 0.1343 0.7489
117 5 0.6008 0.4677 0.0823
118 5 0.8657 0.7998 0.7489
119 6 0.5494 0.7672 0.7252
120 6 0.5662 0.4489 0.3918
121 6 0.2328 0.7823 0.7252
122 6 0.5511 0.1173 0.3918
123 7 0.9897 0.3257 0.9171
124 7 0.0077 0.3307 0.5837
125 7 0.6743 0.6641 0.9171
126 7 0.6693 0.677 0.5837
X-ray density (g/cm cub.) = 2.66
MU (1/cm) = 79.328 Mass attenuation coefficient (cm**2/g) = 29.795
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.448 4
1.999 6
1.9696 7
1.9597 4
1.9965 5
2 Al ,Si 2.316 4
1.6905 7
1.6967 5
1.6874 6
1.6884 6
3 Al ,Si 2.316 4
1.6848 4
1.6779 4
1.697 5
1.682 7
4 O 3.264 9
2.8034 5
2.7811 7
3.1212 7
3.1573 6
2.7178 4
3.1763 5
2.7178 4
2.7585 5
2.6954 7
5 O 3.264 8
2.8034 4
2.7514 7
2.7502 7
2.8148 6
2.7585 4
3.1763 4
2.7379 6
3.2113 7
6 O 3.264 8
3.1747 7
2.8147 5
2.7685 7
3.1573 4
2.734 6
2.7339 6
2.7381 5
2.7577 7
7 O 3.264 11
2.7811 4
2.7514 5
3.1747 6
3.1212 4
2.7501 5
3.007 7
3.0071 7
2.7688 6
2.6954 4
3.2113 5
2.7577 6
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 1 6.206 12.413 0.07 168.15 6 8.2 3.4
2 1 1 0 6.567 13.134 0.074 149.96 6 87.6 345.1
3 2 0 -1 9.054 18.109 0.102 77.82 6 16.5 6.3
4 1 0 -2 10.574 21.148 0.119 56.49 6 123.6 259.1
5 1 2 -1 11.218 22.435 0.126 49.95 6 176.0 464.5
6 2 1 1 11.218 22.435 0.126 49.95 6 146.5 321.8
7 3 0 0 11.425 22.849 0.129 48.08 6 133.8 258.1
8 2 0 2 12.487 24.974 0.14 39.91 6 70.4 59.3
9 2 2 0 13.222 26.444 0.148 35.38 6 280.0 832.4
10 1 2 2 14.158 28.317 0.159 30.6 6 87.8 70.8
11 2 1 -2 14.158 28.317 0.159 30.6 6 84.1 65.0
12 1 3 1 14.654 29.309 0.164 28.43 6 94.8 76.7
13 3 1 -1 14.654 29.309 0.164 28.43 6 47.2 19.0
14 0 0 3 14.881 29.763 0.167 27.51 2 5.8 0.1
15 4 0 1 16.119 32.238 0.18 23.17 6 30.6 6.5
16 1 1 -3 16.328 32.655 0.182 22.53 6 237.2 380.3
17 1 1 3 16.328 32.655 0.182 22.53 6 235.7 375.7
18 1 3 -2 17.052 34.103 0.19 20.5 6 14.7 1.3
19 3 1 2 17.052 34.103 0.19 20.5 6 7.8 0.4
20 2 3 -1 17.473 34.947 0.195 19.44 6 12.1 0.9
21 3 2 1 17.473 34.947 0.195 19.44 6 16.6 1.6
22 1 4 0 17.612 35.224 0.196 19.11 6 2.4 0.0
23 4 1 0 17.612 35.224 0.196 19.11 6 312.8 561.1
24 4 0 -2 18.346 36.691 0.204 17.47 6 75.2 29.6
25 3 0 -3 18.925 37.85 0.211 16.32 6 163.1 130.2
26 3 0 3 18.925 37.85 0.211 16.32 6 159.2 124.0
27 2 3 2 19.565 39.13 0.217 15.16 6 2.4 0.0
28 3 2 -2 19.565 39.13 0.217 15.16 6 22.6 2.3
29 5 0 -1 19.941 39.882 0.221 14.53 6 11.6 0.6
30 3 3 0 20.065 40.13 0.223 14.33 6 172.9 128.5
31 2 2 -3 20.115 40.23 0.223 14.25 6 87.3 32.6
32 2 2 3 20.115 40.23 0.223 14.25 6 89.5 34.2
33 1 0 4 20.41 40.819 0.226 13.8 6 4.6 0.1
34 2 4 1 21.083 42.165 0.233 12.83 6 78.1 23.5
35 4 2 -1 21.083 42.165 0.233 12.83 6 27.7 3.0
36 2 0 -4 21.531 43.062 0.238 12.24 6 33.0 4.0
37 5 0 2 21.832 43.664 0.241 11.87 6 66.7 15.9
38 1 5 -1 22.176 44.352 0.245 11.46 6 13.4 0.6
39 5 1 1 22.176 44.352 0.245 11.46 6 3.0 0.0
40 1 2 -4 22.607 45.214 0.25 10.97 6 11.9 0.5
41 2 1 4 22.607 45.214 0.25 10.97 6 20.4 1.4
42 2 4 -2 22.897 45.794 0.253 10.66 6 40.8 5.3
43 4 2 2 22.897 45.794 0.253 10.66 6 39.3 4.9
44 6 0 0 23.338 46.677 0.257 10.21 6 136.3 56.9
45 1 4 -3 23.383 46.765 0.258 10.16 6 5.4 0.1
46 1 4 3 23.383 46.765 0.258 10.16 6 7.7 0.2
47 4 1 -3 23.383 46.765 0.258 10.16 6 107.5 35.3
48 4 1 3 23.383 46.765 0.258 10.16 6 101.2 31.2
49 1 5 2 23.925 47.849 0.263 9.65 6 11.4 0.4
50 5 1 -2 23.925 47.849 0.263 9.65 6 33.4 3.2
51 3 4 -1 24.245 48.491 0.267 9.36 6 133.2 49.8
52 4 3 1 24.245 48.491 0.267 9.36 6 69.2 13.5
53 2 5 0 24.352 48.703 0.268 9.27 6 201.3 112.7
54 5 2 0 24.352 48.703 0.268 9.27 6 36.3 3.7
55 1 3 4 24.648 49.296 0.271 9.02 6 26.6 1.9
56 3 1 -4 24.648 49.296 0.271 9.02 6 29.8 2.4
57 3 3 -3 25.376 50.752 0.278 8.44 6 247.2 154.7
58 3 3 3 25.376 50.752 0.278 8.44 6 233.9 138.5
59 4 0 4 25.623 51.245 0.281 8.25 6 114.2 32.3
60 1 0 -5 25.664 51.328 0.281 8.22 6 1.7 0.0
61 3 4 2 25.887 51.774 0.283 8.06 6 11.0 0.3
62 4 3 -2 25.887 51.774 0.283 8.06 6 28.0 1.9
63 1 6 1 26.19 52.38 0.286 7.85 6 24.4 1.4
64 6 1 -1 26.19 52.38 0.286 7.85 6 25.5 1.5
65 2 3 -4 26.571 53.142 0.29 7.6 6 43.8 4.4
66 3 2 4 26.571 53.142 0.29 7.6 6 51.9 6.1
67 2 0 5 26.611 53.223 0.291 7.57 6 31.4 2.2
68 4 4 0 27.222 54.445 0.297 7.19 6 10.5 0.2
69 1 2 5 27.536 55.072 0.3 7.01 6 80.3 13.6
70 2 1 -5 27.536 55.072 0.3 7.01 6 135.0 38.3
71 1 6 -2 27.748 55.496 0.302 6.89 6 36.8 2.8
72 6 1 2 27.748 55.496 0.302 6.89 6 66.8 9.2
73 3 5 1 28.037 56.075 0.305 6.73 6 41.5 3.5
74 5 3 -1 28.037 56.075 0.305 6.73 6 78.2 12.3
75 7 0 1 28.037 56.075 0.305 6.73 6 66.4 8.9
76 6 0 -3 28.172 56.344 0.306 6.65 6 179.4 64.2
77 6 0 3 28.172 56.344 0.306 6.65 6 185.2 68.5
78 5 0 -4 28.402 56.803 0.309 6.53 6 96.1 18.1
79 2 6 -1 28.931 57.862 0.314 6.26 6 3.2 0.0
80 6 2 1 28.931 57.862 0.314 6.26 6 93.8 16.5
81 2 5 -3 29.063 58.126 0.315 6.2 6 32.9 2.0
82 2 5 3 29.063 58.126 0.315 6.2 6 29.4 1.6
83 5 2 -3 29.063 58.126 0.315 6.2 6 39.4 2.9
84 5 2 3 29.063 58.126 0.315 6.2 6 32.9 2.0
85 2 4 4 29.288 58.576 0.318 6.09 6 6.5 0.1
86 4 2 -4 29.288 58.576 0.318 6.09 6 54.9 5.5
87 1 3 -5 29.326 58.652 0.318 6.08 6 15.1 0.4
88 3 1 5 29.326 58.652 0.318 6.08 6 76.3 10.6
89 3 5 -2 29.53 59.06 0.32 5.98 6 0.8 0.0
90 5 3 2 29.53 59.06 0.32 5.98 6 42.9 3.3
91 7 0 -2 29.53 59.06 0.32 5.98 6 17.9 0.6
92 1 7 0 29.9 59.8 0.324 5.82 6 210.7 77.5
93 7 1 0 29.9 59.8 0.324 5.82 6 193.8 65.5
94 1 5 -4 30.158 60.317 0.326 5.71 6 44.2 3.3
95 5 1 4 30.158 60.317 0.326 5.71 6 28.1 1.4
96 4 0 -5 30.195 60.391 0.326 5.69 6 23.9 1.0
97 2 6 2 30.396 60.792 0.328 5.61 6 72.2 8.8
98 6 2 -2 30.396 60.792 0.328 5.61 6 113.6 21.7
99 0 0 6 30.906 61.812 0.333 5.4 2 528.8 151.1
100 2 3 5 31.05 62.1 0.335 5.35 6 19.3 0.6
101 3 2 -5 31.05 62.1 0.335 5.35 6 14.3 0.3
102 4 5 -1 31.516 63.033 0.339 5.18 6 2.5 0.0
103 5 4 1 31.516 63.033 0.339 5.18 6 62.2 6.0
104 3 6 0 31.606 63.211 0.34 5.14 6 101.6 15.9
105 6 3 0 31.606 63.211 0.34 5.14 6 110.8 18.9
106 4 4 -3 31.642 63.283 0.341 5.13 6 66.5 6.8
107 4 4 3 31.642 63.283 0.341 5.13 6 67.6 7.0
108 1 1 -6 31.75 63.5 0.342 5.09 6 49.0 3.7
109 1 1 6 31.75 63.5 0.342 5.09 6 51.1 4.0
110 3 4 -4 31.856 63.712 0.343 5.06 6 53.3 4.3
111 4 3 4 31.856 63.712 0.343 5.06 6 109.0 18.0
112 8 0 -1 32.351 64.702 0.347 4.89 6 75.0 8.3
113 5 0 5 32.721 65.442 0.351 4.77 6 31.0 1.4
114 4 5 2 32.913 65.826 0.353 4.71 6 83.2 9.8
115 5 4 -2 32.913 65.826 0.353 4.71 6 21.8 0.7
116 2 7 1 33.174 66.349 0.355 4.63 6 40.6 2.3
117 7 2 -1 33.174 66.349 0.355 4.63 6 61.0 5.2
118 3 0 -6 33.402 66.803 0.357 4.57 6 53.7 3.9
119 3 0 6 33.402 66.803 0.357 4.57 6 64.7 5.7
120 1 6 4 33.505 67.01 0.358 4.54 6 14.5 0.3
121 6 1 -4 33.505 67.01 0.358 4.54 6 32.7 1.5
122 2 4 -5 33.54 67.08 0.359 4.53 6 66.7 6.0
123 4 2 5 33.54 67.08 0.359 4.53 6 33.4 1.5
124 8 0 2 33.729 67.458 0.36 4.47 6 3.1 0.0
125 1 7 -3 34.108 68.216 0.364 4.37 6 364.0 173.7
126 1 7 3 34.108 68.216 0.364 4.37 6 365.0 174.6
127 7 1 -3 34.108 68.216 0.364 4.37 6 204.9 55.1
128 7 1 3 34.108 68.216 0.364 4.37 6 208.6 57.1
129 2 2 -6 34.212 68.424 0.365 4.34 6 173.2 39.1
130 2 2 6 34.212 68.424 0.365 4.34 6 173.5 39.2
131 1 5 5 34.349 68.697 0.366 4.31 6 56.0 4.1
132 5 1 -5 34.349 68.697 0.366 4.31 6 19.1 0.5
133 2 7 -2 34.536 69.072 0.368 4.26 6 12.4 0.2
134 7 2 2 34.536 69.072 0.368 4.26 6 59.7 4.5
135 1 8 -1 34.791 69.583 0.37 4.2 6 57.0 4.1
136 8 1 1 34.791 69.583 0.37 4.2 6 32.1 1.3
137 5 5 0 34.876 69.753 0.371 4.17 6 159.3 31.8
138 3 5 4 35.114 70.229 0.373 4.12 6 20.9 0.5
139 5 3 -4 35.114 70.229 0.373 4.12 6 37.2 1.7
140 7 0 4 35.114 70.229 0.373 4.12 6 17.4 0.4
141 4 6 1 35.587 71.174 0.378 4.01 6 5.0 0.0
142 6 4 -1 35.587 71.174 0.378 4.01 6 46.8 2.6
143 3 6 -3 35.705 71.41 0.379 3.98 6 21.1 0.5
144 3 6 3 35.705 71.41 0.379 3.98 6 25.6 0.8
145 6 3 -3 35.705 71.41 0.379 3.98 6 256.6 78.7
146 6 3 3 35.705 71.41 0.379 3.98 6 252.9 76.4
147 2 6 -4 35.907 71.814 0.381 3.94 6 38.7 1.8
148 6 2 4 35.907 71.814 0.381 3.94 6 71.8 6.1
149 3 4 5 35.941 71.882 0.381 3.93 6 111.5 14.7
150 4 3 -5 35.941 71.882 0.381 3.93 6 56.4 3.8
151 1 8 2 36.124 72.249 0.383 3.89 6 1.0 0.0
152 8 1 -2 36.124 72.249 0.383 3.89 6 91.3 9.7
153 3 7 -1 36.375 72.75 0.385 3.84 6 47.4 2.6
154 7 3 1 36.375 72.75 0.385 3.84 6 8.5 0.1
155 9 0 0 36.458 72.917 0.386 3.82 6 293.9 99.1
156 1 4 -6 36.593 73.186 0.387 3.8 6 35.3 1.4
157 1 4 6 36.593 73.186 0.387 3.8 6 32.2 1.2
158 4 1 -6 36.593 73.186 0.387 3.8 6 224.9 57.7
159 4 1 6 36.593 73.186 0.387 3.8 6 225.6 58.0
160 4 6 -2 36.908 73.816 0.39 3.74 6 73.9 6.1
161 6 4 2 36.908 73.816 0.39 3.74 6 28.6 0.9
162 1 0 7 37.075 74.151 0.391 3.71 6 15.7 0.3
163 2 8 0 37.239 74.478 0.393 3.68 6 31.4 1.1
164 8 2 0 37.239 74.478 0.393 3.68 6 17.0 0.3
165 1 6 -5 37.505 75.009 0.395 3.63 6 75.7 6.2
166 6 1 5 37.505 75.009 0.395 3.63 6 2.8 0.0
167 3 7 2 37.685 75.37 0.397 3.6 6 33.5 1.2
168 7 3 -2 37.685 75.37 0.397 3.6 6 31.1 1.0
169 2 0 -7 37.852 75.703 0.398 3.57 6 57.6 3.6
170 3 3 -6 38.147 76.294 0.401 3.52 6 32.5 1.1
171 3 3 6 38.147 76.294 0.401 3.52 6 29.9 0.9
172 4 5 -4 38.244 76.489 0.402 3.5 6 112.7 13.4
173 5 4 4 38.244 76.489 0.402 3.5 6 40.8 1.8
174 1 2 -7 38.622 77.245 0.405 3.45 6 148.4 22.8
175 2 1 7 38.622 77.245 0.405 3.45 6 55.5 3.2
176 5 5 -3 38.817 77.633 0.407 3.42 6 131.6 17.7
177 5 5 3 38.817 77.633 0.407 3.42 6 130.7 17.5
178 8 0 -4 39.013 78.025 0.409 3.39 6 31.0 1.0
179 3 5 -5 39.046 78.091 0.409 3.38 6 57.1 3.3
180 5 3 5 39.046 78.091 0.409 3.38 6 81.4 6.7
181 7 0 -5 39.046 78.091 0.409 3.38 6 95.6 9.3
182 1 9 1 39.468 78.935 0.413 3.32 6 66.9 4.5
183 5 6 -1 39.468 78.935 0.413 3.32 6 23.2 0.5
184 6 5 1 39.468 78.935 0.413 3.32 6 15.6 0.2
185 9 1 -1 39.468 78.935 0.413 3.32 6 65.0 4.2
186 4 7 0 39.549 79.098 0.413 3.31 6 6.9 0.0
187 7 4 0 39.549 79.098 0.413 3.31 6 104.9 10.9
188 2 7 4 39.777 79.553 0.415 3.28 6 7.7 0.1
189 7 2 -4 39.777 79.553 0.415 3.28 6 19.2 0.4
190 2 6 5 39.809 79.619 0.416 3.28 6 4.9 0.0
191 6 2 -5 39.809 79.619 0.416 3.28 6 121.2 14.5
192 1 3 7 40.15 80.301 0.419 3.24 6 116.2 13.1
193 3 1 -7 40.15 80.301 0.419 3.24 6 16.6 0.3
194 9 0 -3 40.343 80.686 0.42 3.21 6 8.3 0.1
195 9 0 3 40.343 80.686 0.42 3.21 6 2.0 0.0
196 6 0 -6 40.441 80.882 0.421 3.2 6 120.2 13.9
197 6 0 6 40.441 80.882 0.421 3.2 6 131.0 16.5
198 1 9 -2 40.746 81.492 0.424 3.17 6 78.6 5.9
199 5 6 2 40.746 81.492 0.424 3.17 6 65.5 4.1
200 6 5 -2 40.746 81.492 0.424 3.17 6 52.4 2.6
201 9 1 2 40.746 81.492 0.424 3.17 6 147.7 20.7
202 4 0 7 40.909 81.818 0.425 3.15 6 61.2 3.5
203 3 8 1 40.988 81.975 0.426 3.14 6 74.6 5.2
204 8 3 -1 40.988 81.975 0.426 3.14 6 94.6 8.4
205 2 8 -3 41.101 82.201 0.427 3.13 6 132.1 16.4
206 2 8 3 41.101 82.201 0.427 3.13 6 138.9 18.1
207 8 2 -3 41.101 82.201 0.427 3.13 6 30.2 0.9
208 8 2 3 41.101 82.201 0.427 3.13 6 33.8 1.1
209 2 5 -6 41.198 82.396 0.428 3.12 6 144.5 19.5
210 2 5 6 41.198 82.396 0.428 3.12 6 136.7 17.5
211 5 2 -6 41.198 82.396 0.428 3.12 6 1.4 0.0
212 5 2 6 41.198 82.396 0.428 3.12 6 4.6 0.0
213 1 8 -4 41.294 82.588 0.428 3.11 6 56.2 2.9
214 8 1 4 41.294 82.588 0.428 3.11 6 74.8 5.2
215 2 3 -7 41.665 83.329 0.432 3.07 6 8.6 0.1
216 3 2 7 41.665 83.329 0.432 3.07 6 0.6 0.0
217 10 0 1 41.743 83.486 0.432 3.06 6 20.9 0.4
218 4 6 4 42.048 84.097 0.435 3.03 6 99.5 9.0
219 6 4 -4 42.048 84.097 0.435 3.03 6 45.9 1.9
220 4 5 5 42.081 84.161 0.435 3.03 6 39.6 1.4
221 5 4 -5 42.081 84.161 0.435 3.03 6 53.6 2.6
222 3 8 -2 42.256 84.512 0.436 3.02 6 125.8 14.3
223 8 3 2 42.256 84.512 0.436 3.02 6 72.1 4.7
224 2 9 -1 42.496 84.992 0.439 2.99 6 56.4 2.9
225 9 2 1 42.496 84.992 0.439 2.99 6 28.2 0.7
226 3 7 -4 42.801 85.601 0.441 2.97 6 10.4 0.1
227 7 3 4 42.801 85.601 0.441 2.97 6 3.5 0.0
228 8 0 5 42.833 85.666 0.441 2.97 6 64.7 3.7
229 10 0 -2 43.008 86.016 0.443 2.95 6 141.1 17.6
230 5 0 -7 43.17 86.339 0.444 2.94 6 18.7 0.3
231 6 6 0 43.327 86.655 0.445 2.93 6 46.5 1.9
232 4 7 -3 43.36 86.72 0.446 2.93 6 17.0 0.3
233 4 7 3 43.36 86.72 0.446 2.93 6 15.2 0.2
234 7 4 -3 43.36 86.72 0.446 2.93 6 134.6 15.9
235 7 4 3 43.36 86.72 0.446 2.93 6 138.0 16.7
236 4 4 -6 43.457 86.913 0.446 2.92 6 7.8 0.1
237 4 4 6 43.457 86.913 0.446 2.92 6 15.7 0.2
238 1 0 -8 43.474 86.947 0.447 2.92 6 84.4 6.2
239 2 7 -5 43.584 87.168 0.448 2.91 6 27.6 0.7
240 7 2 5 43.584 87.168 0.448 2.91 6 101.6 9.0
241 2 9 2 43.759 87.517 0.449 2.9 6 76.1 5.0
242 9 2 -2 43.759 87.517 0.449 2.9 6 8.8 0.1
243 2 4 7 43.92 87.84 0.45 2.89 6 73.5 4.7
244 4 2 -7 43.92 87.84 0.45 2.89 6 18.3 0.3
245 5 7 1 43.998 87.996 0.451 2.88 6 68.8 4.1
246 7 5 -1 43.998 87.996 0.451 2.88 6 10.8 0.1
247 1 10 0 44.078 88.155 0.452 2.88 6 34.2 1.0
248 10 1 0 44.078 88.155 0.452 2.88 6 137.0 16.2
249 2 0 8 44.224 88.447 0.453 2.87 6 45.2 1.8
250 1 5 -7 44.67 89.339 0.456 2.85 6 40.9 1.4
251 5 1 7 44.67 89.339 0.456 2.85 6 29.6 0.7
252 4 8 -1 44.747 89.495 0.457 2.84 6 1.1 0.0
253 8 4 1 44.747 89.495 0.457 2.84 6 75.4 4.9
254 1 2 8 44.973 89.946 0.459 2.83 6 64.8 3.6
255 2 1 -8 44.973 89.946 0.459 2.83 6 53.5 2.4
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 1 0 6.567 13.134 6.7355 345.1 41.5 41.8 5.6
2 1 0 2 10.574 21.148 4.19767 259.1 31.1 31.2 5.6
3 1 2 1 11.218 22.435 3.95955 786.4 94.5 94.8 5.6
4 3 0 0 11.425 22.849 3.88874 258.1 31.0 31.1 5.6
5 2 0 2 12.487 24.974 3.56247 59.3 7.1 7.1 5.6
6 2 2 0 13.222 26.444 3.36775 832.4 100.0 100.0 5.6
7 1 2 2 14.158 28.317 3.14912 135.7 16.3 16.3 5.6
8 1 3 1 14.654 29.309 3.04476 95.7 11.5 11.5 5.6
9 1 1 3 16.328 32.655 2.73995 755.9 90.8 90.4 5.6
10 4 1 0 17.612 35.224 2.54578 561.1 67.4 66.9 5.7
11 4 0 2 18.346 36.691 2.4473 29.6 3.6 3.5 5.7
12 3 0 3 18.925 37.85 2.37498 254.2 30.5 30.2 5.7
13 3 3 0 20.065 40.13 2.24517 128.5 15.4 15.3 5.7
14 2 2 3 20.115 40.23 2.23982 66.8 8.0 7.9 5.7
15 2 4 1 21.083 42.165 2.14137 26.4 3.2 3.1 5.7
16 5 0 2 21.832 43.664 2.07127 15.9 1.9 1.9 5.7
17 2 4 2 22.897 45.794 1.97977 10.3 1.2 1.2 5.7
18 6 0 0 23.338 46.677 1.94437 56.9 6.8 6.7 5.7
19 4 1 3 23.383 46.765 1.9409 66.5 8.0 7.8 5.7
20 3 4 1 24.245 48.491 1.87578 63.3 7.6 7.4 5.7
21 2 5 0 24.352 48.703 1.86809 116.3 14.0 13.7 5.7
22 3 3 3 25.376 50.752 1.79738 293.2 35.2 34.4 5.8
23 4 0 4 25.623 51.245 1.78124 32.3 3.9 3.8 5.8
24 3 2 4 26.571 53.142 1.72204 10.5 1.3 1.2 5.8
25 2 1 5 27.536 55.072 1.66618 51.9 6.2 6.0 5.8
26 6 1 2 27.748 55.496 1.65443 12.0 1.4 1.4 5.8
27 7 0 1 28.037 56.075 1.63873 24.7 3.0 2.9 5.8
28 6 0 3 28.172 56.344 1.63154 132.7 15.9 15.5 5.8
29 5 0 4 28.402 56.803 1.61943 18.1 2.2 2.1 5.8
30 6 2 1 28.931 57.862 1.59228 16.5 2.0 1.9 5.8
31 5 2 3 29.063 58.126 1.58568 8.5 1.0 1.0 5.8
32 3 1 5 29.326 58.652 1.57271 10.6 1.3 1.2 5.8
33 1 7 0 29.9 59.8 1.54523 143.0 17.2 16.6 5.8
34 6 2 2 30.396 60.792 1.52238 30.5 3.7 3.5 5.8
35 0 0 6 30.906 61.812 1.49967 151.1 18.2 17.5 5.8
36 6 3 0 31.606 63.211 1.46981 34.9 4.2 4.0 5.9
37 4 4 3 31.642 63.283 1.4683 13.8 1.7 1.6 5.9
38 4 3 4 31.856 63.712 1.45946 22.3 2.7 2.6 5.9
39 4 5 2 32.913 65.826 1.41762 10.4 1.3 1.2 5.9
40 3 0 6 33.402 66.803 1.39922 9.7 1.2 1.1 5.9
41 1 7 3 34.108 68.216 1.37365 460.5 55.3 52.6 5.9
42 2 2 6 34.212 68.424 1.36998 78.3 9.4 8.9 5.9
43 5 5 0 34.876 69.753 1.3471 31.8 3.8 3.6 5.9
44 6 3 3 35.705 71.41 1.31985 155.1 18.6 17.6 5.9
45 3 4 5 35.941 71.882 1.31234 18.4 2.2 2.1 5.9
46 8 1 2 36.124 72.249 1.30658 9.7 1.2 1.1 5.9
47 9 0 0 36.458 72.917 1.29625 99.1 11.9 11.2 6.0
48 4 1 6 36.593 73.186 1.29214 118.3 14.2 13.4 6.0
49 4 5 4 38.244 76.489 1.24436 15.1 1.8 1.7 6.0
50 1 2 7 38.622 77.245 1.23406 25.9 3.1 2.9 6.0
51 5 5 3 38.817 77.633 1.22885 35.3 4.2 4.0 6.0
52 7 0 5 39.046 78.091 1.22278 19.3 2.3 2.2 6.0
53 1 9 1 39.468 78.935 1.21181 9.5 1.1 1.1 6.0
54 7 4 0 39.549 79.098 1.20973 10.9 1.3 1.2 6.0
55 6 2 5 39.809 79.619 1.20312 14.5 1.7 1.6 6.0
56 1 3 7 40.15 80.301 1.19461 13.4 1.6 1.5 6.0
57 6 0 6 40.441 80.882 1.18749 30.4 3.6 3.4 6.1
58 9 1 2 40.746 81.492 1.18013 33.3 4.0 3.7 6.1
59 8 3 1 40.988 81.975 1.17439 13.7 1.6 1.5 6.1
60 2 8 3 41.101 82.201 1.17174 36.4 4.4 4.0 6.1
61 2 5 6 41.198 82.396 1.16946 37.0 4.4 4.1 6.1
62 4 6 4 42.048 84.097 1.15009 10.9 1.3 1.2 6.1
63 3 8 2 42.256 84.512 1.14549 19.0 2.3 2.1 6.1
64 10 0 2 43.008 86.016 1.12927 17.6 2.1 1.9 6.1
65 7 4 3 43.36 86.72 1.12191 32.6 3.9 3.6 6.1
66 7 2 5 43.584 87.168 1.11729 9.0 1.1 1.0 6.2
67 10 1 0 44.078 88.155 1.10731 17.2 2.1 1.9 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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