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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ILVAITE
23, td-ilvaite, at 400'C, f-ilvaite
CaFe''(2)Fe'''Si(2)O(7)O(OH)
Monoclinic P 2(1)/a Z = 4
P2(1)/a
25 .2 .1902
Ref.Str.:
Bonazzi P., Bindi L. (1984)
* Amer. Mineral., 84, 1604-1612
Reserv:
Structure data for sample "RM" at all temperatures from 20'C up to 700'C
see in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.015 alpha = 90.0
b = 8.803 beta = 90.16
c = 5.842 gamma = 90.0
Unit cell volume (cub. angs.) = 669.32
Molar volume ( cub.cm/mol.) = 100.79
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.8901 0.0506 0.0075 0.0 Fe = 0.97, Mg = 0.03
2 0.89 0.0511 0.4926 0.0 Fe = 0.96, Fe = 0.0
3 0.9407 0.74 0.2498 0.0 Fe = 0.95, Fe = 0.0
4 0.0097 0.0294 0.7462 0.0 O = 1.00
5 0.9367 0.2724 0.0168 0.0 O = 1.00
6 0.9362 0.2726 0.483 0.0 O = 1.00
7 0.5849 0.1008 0.2515 0.0 O = 1.00
8 0.6018 0.0255 0.7506 0.0 O = 1.00
9 0.8129 0.3702 0.7508 0.0 Ca = 1.00
10 0.9595 0.3687 0.2498 0.0 Si = 1.00
11 0.6794 0.2272 0.2505 0.0 Si = 1.00
12 0.7774 0.1095 0.2515 0.0 O = 1.00
13 0.6709 0.3294 0.0188 0.0 O = 1.00
14 0.6707 0.3302 0.4813 0.0 O = 1.00
15 0.798 0.1092 0.7487 0.0 O = 1.00
16 0.7368 0.0734 0.7501 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.8901 0.0506 0.0075
2 2 0.89 0.0511 0.4926
3 3 0.9407 0.74 0.2498
4 4 0.0097 0.0294 0.7462
5 5 0.9367 0.2724 0.0168
6 6 0.9362 0.2726 0.483
7 7 0.5849 0.1008 0.2515
8 8 0.6018 0.0255 0.7506
9 9 0.8129 0.3702 0.7508
10 10 0.9595 0.3687 0.2498
11 11 0.6794 0.2272 0.2505
12 12 0.7774 0.1095 0.2515
13 13 0.6709 0.3294 0.0188
14 14 0.6707 0.3302 0.4813
15 15 0.798 0.1092 0.7487
16 16 0.7368 0.0734 0.7501
17 1 0.1099 0.9494 0.9925
18 2 0.11 0.9489 0.5074
19 3 0.0593 0.26 0.7502
20 4 0.9903 0.9706 0.2538
21 5 0.0633 0.7276 0.9832
22 6 0.0638 0.7274 0.517
23 7 0.4151 0.8992 0.7485
24 8 0.3982 0.9745 0.2494
25 9 0.1871 0.6298 0.2492
26 10 0.0405 0.6313 0.7502
27 11 0.3206 0.7728 0.7495
28 12 0.2226 0.8905 0.7485
29 13 0.3291 0.6706 0.9812
30 14 0.3293 0.6698 0.5187
31 15 0.202 0.8908 0.2513
32 16 0.2632 0.9266 0.2499
33 1 0.3901 0.4494 0.0075
34 2 0.39 0.4489 0.4926
35 3 0.4407 0.76 0.2498
36 4 0.5097 0.4706 0.7462
37 5 0.4367 0.2276 0.0168
38 6 0.4362 0.2274 0.483
39 7 0.0849 0.3992 0.2515
40 8 0.1019 0.4745 0.7506
41 9 0.3129 0.1298 0.7508
42 10 0.4595 0.1313 0.2498
43 11 0.1794 0.2728 0.2505
44 12 0.2774 0.3905 0.2515
45 13 0.1709 0.1706 0.0188
46 14 0.1707 0.1698 0.4813
47 15 0.298 0.3908 0.7487
48 16 0.2368 0.4266 0.7501
49 1 0.6099 0.5506 0.9925
50 2 0.61 0.5511 0.5074
51 3 0.5593 0.24 0.7502
52 4 0.4903 0.5294 0.2538
53 5 0.5633 0.7724 0.9832
54 6 0.5638 0.7726 0.517
55 7 0.9151 0.6008 0.7485
56 8 0.8982 0.5255 0.2494
57 9 0.6871 0.8702 0.2492
58 10 0.5405 0.8687 0.7502
59 11 0.8206 0.7272 0.7495
60 12 0.7226 0.6095 0.7485
61 13 0.8291 0.8294 0.9812
62 14 0.8293 0.8302 0.5187
63 15 0.702 0.6092 0.2513
64 16 0.7632 0.5734 0.2499
X-ray density (g/cm cub.) = 4.0
MU (1/cm) = 258.721 Mass attenuation coefficient (cm**2/g) = 64.742
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Mg 2.592 6
2.1913 4
2.0448 5
2.1128 12
1.9942 15
2.0631 4
2.1082 13
2 Fe ,Fe 2.592 6
2.1557 4
2.0406 6
2.0937 12
1.9858 15
2.0399 4
2.1047 14
3 Fe ,Fe 2.592 6
2.1303 4
2.2351 5
2.2367 6
1.9683 8
2.2758 13
2.2837 14
4 O 3.264 12
2.8258 5
2.803 6
2.8435 15
3.021 4
2.9334 4
3.0743 5
3.0591 6
3.0284 12
2.9091 13
2.8865 14
3.2445 13
3.2151 14
5 O 3.264 10
2.8258 4
2.7231 6
3.1189 6
2.8722 12
2.7859 15
3.0743 4
2.6138 7
3.1975 8
3.1768 13
2.6582 8
6 O 3.264 10
2.803 4
3.1189 5
2.7231 5
2.8534 12
2.7798 15
3.0591 4
2.614 7
3.1994 8
3.1837 14
2.6569 8
7 O 3.264 8
2.9974 8
3.0094 8
2.5064 12
2.676 13
2.6682 14
2.6728 8
2.6138 5
2.614 6
8 O 3.264 10
3.0094 7
2.9974 7
3.2273 13
3.2379 14
2.6574 15
2.6728 7
3.1975 5
3.1994 6
2.6582 5
2.6569 6
9 Ca 2.88 7
2.3963 5
2.4037 6
2.4515 13
2.4517 14
2.3063 15
2.4267 7
2.4121 12
10 Si 2.1 4
1.6298 5
1.6328 6
1.6543 7
1.5945 8
11 Si 2.1 4
1.6587 7
1.6434 12
1.6287 13
1.6289 14
12 O 3.264 10
2.8722 5
2.8534 6
2.5064 7
2.7398 13
2.7413 14
2.9159 15
2.9507 15
3.0284 4
3.0054 13
2.9887 14
13 O 3.264 11
2.676 7
3.2273 8
2.7398 12
2.7018 14
3.1402 14
3.0002 15
2.9091 4
3.1768 5
3.2445 4
3.0054 12
2.8408 15
14 O 3.264 11
2.6682 7
3.2379 8
2.7413 12
3.1402 13
2.7018 13
2.993 15
2.8865 4
3.1837 6
3.2151 4
2.9887 12
2.8289 15
15 O 3.264 10
2.8435 4
2.7859 5
2.7798 6
2.6574 8
2.9507 12
2.9159 12
3.0002 13
2.993 14
2.8408 13
2.8289 14
16 H 1.632 1
0.8568 15
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 1 1 0 7.046 14.092 0.069 129.95 4 80.1 744.4
2 2 0 0 7.9 15.801 0.077 102.91 2 71.1 232.1
3 0 0 1 8.807 17.614 0.086 82.38 2 1.3 0.1
4 2 1 0 9.842 19.684 0.096 65.53 4 6.7 2.6
5 0 1 1 10.589 21.177 0.103 56.32 4 36.0 65.3
6 1 1 -1 11.305 22.611 0.11 49.15 4 34.4 52.0
7 1 1 1 11.323 22.646 0.11 48.99 4 36.1 57.0
8 0 2 0 11.725 23.45 0.114 45.54 2 5.6 0.6
9 2 0 -1 11.857 23.714 0.115 44.49 2 4.9 0.5
10 2 0 1 11.89 23.781 0.115 44.23 2 5.3 0.6
11 1 2 0 12.388 24.775 0.12 40.59 4 36.9 49.3
12 2 1 -1 13.251 26.502 0.128 35.21 4 26.0 21.3
13 2 1 1 13.281 26.563 0.128 35.04 4 26.9 22.7
14 3 1 0 13.289 26.577 0.128 35.0 4 76.0 180.5
15 2 2 0 14.202 28.403 0.137 30.4 4 4.4 0.5
16 0 2 1 14.74 29.481 0.142 28.08 4 1.0 0.0
17 1 2 -1 15.275 30.549 0.147 26.01 4 35.8 29.8
18 1 2 1 15.288 30.576 0.147 25.96 4 35.3 29.0
19 4 0 0 15.956 31.912 0.154 23.68 2 137.6 200.3
20 3 1 -1 16.013 32.027 0.154 23.5 4 36.2 27.5
21 3 1 1 16.051 32.103 0.155 23.38 4 38.1 30.3
22 2 2 -1 16.797 33.595 0.162 21.19 4 1.0 0.0
23 2 2 1 16.822 33.644 0.162 21.12 4 0.6 0.0
24 3 2 0 16.828 33.655 0.162 21.1 4 68.8 89.2
25 4 1 0 17.042 34.085 0.164 20.53 4 9.7 1.7
26 0 0 2 17.831 35.663 0.171 18.6 2 89.1 65.9
27 1 3 0 18.209 36.417 0.175 17.76 4 141.9 319.2
28 4 0 -1 18.318 36.636 0.176 17.53 2 233.7 427.4
29 4 0 1 18.363 36.726 0.176 17.44 2 229.5 410.0
30 0 1 2 18.822 37.645 0.18 16.51 4 0.9 0.0
31 3 2 -1 19.1 38.2 0.183 15.99 4 78.5 87.9
32 3 2 1 19.133 38.265 0.183 15.93 4 80.6 92.3
33 1 1 -2 19.25 38.501 0.184 15.71 4 173.4 421.9
34 1 1 2 19.272 38.544 0.184 15.67 4 173.5 421.1
35 4 1 -1 19.287 38.575 0.185 15.65 4 5.9 0.5
36 4 1 1 19.331 38.661 0.185 15.57 4 6.3 0.5
37 2 3 0 19.535 39.07 0.187 15.21 4 205.7 574.9
38 2 0 -2 19.591 39.182 0.187 15.11 2 13.3 1.2
39 2 0 2 19.633 39.267 0.188 15.04 2 14.4 1.4
40 0 3 1 19.945 39.89 0.191 14.52 4 25.1 8.2
41 4 2 0 19.99 39.981 0.191 14.45 4 101.6 133.1
42 1 3 -1 20.358 40.716 0.194 13.88 4 50.9 32.1
43 1 3 1 20.368 40.737 0.195 13.86 4 49.2 30.0
44 2 1 -2 20.509 41.019 0.196 13.65 4 88.6 95.7
45 2 1 2 20.55 41.101 0.196 13.59 4 87.6 93.2
46 5 1 0 20.998 41.996 0.2 12.95 4 82.7 79.0
47 0 2 2 21.562 43.125 0.205 12.2 4 118.5 152.9
48 2 3 -1 21.568 43.136 0.205 12.19 4 118.1 151.8
49 2 3 1 21.588 43.176 0.206 12.17 4 114.9 143.5
50 3 3 0 21.593 43.185 0.206 12.16 4 18.6 3.8
51 1 2 -2 21.946 43.891 0.209 11.73 4 13.6 1.9
52 1 2 2 21.965 43.93 0.209 11.7 4 11.5 1.4
53 4 2 -1 21.979 43.958 0.209 11.69 4 106.5 118.4
54 4 2 1 22.018 44.036 0.21 11.64 4 111.3 128.7
55 3 1 -2 22.484 44.968 0.214 11.1 4 118.7 139.6
56 3 1 2 22.541 45.082 0.214 11.04 4 119.7 141.2
57 5 1 -1 22.911 45.822 0.218 10.64 4 21.5 4.4
58 5 1 1 22.958 45.915 0.218 10.59 4 27.0 6.9
59 2 2 -2 23.084 46.168 0.219 10.46 4 18.3 3.1
60 2 2 2 23.121 46.242 0.22 10.42 4 18.5 3.2
61 3 3 -1 23.476 46.952 0.223 10.07 4 40.1 14.4
62 3 3 1 23.504 47.007 0.223 10.04 4 37.4 12.6
63 5 2 0 23.529 47.059 0.223 10.02 4 1.2 0.0
64 0 4 0 23.981 47.962 0.227 9.6 2 47.6 9.7
65 4 3 0 24.235 48.469 0.229 9.37 4 24.4 5.0
66 4 0 -2 24.264 48.528 0.23 9.34 2 189.0 148.9
67 4 0 2 24.336 48.671 0.23 9.28 2 187.1 145.1
68 1 4 0 24.343 48.687 0.23 9.28 4 143.8 171.2
69 6 0 0 24.353 48.706 0.231 9.27 2 65.2 17.6
70 3 2 -2 24.896 49.793 0.235 8.81 4 74.6 43.8
71 3 2 2 24.949 49.899 0.236 8.77 4 75.4 44.5
72 4 1 -2 25.044 50.088 0.237 8.7 4 171.8 229.1
73 4 1 2 25.114 50.228 0.237 8.64 4 170.9 225.3
74 6 1 0 25.131 50.262 0.237 8.63 4 12.0 1.1
75 5 2 -1 25.292 50.584 0.239 8.5 4 25.8 5.1
76 5 2 1 25.335 50.671 0.239 8.47 4 26.5 5.3
77 2 4 0 25.407 50.814 0.24 8.41 4 122.0 111.8
78 0 3 2 25.599 51.199 0.242 8.27 4 0.2 0.0
79 0 4 1 25.742 51.484 0.243 8.17 4 1.6 0.0
80 1 3 -2 25.936 51.873 0.244 8.03 4 5.0 0.2
81 1 3 2 25.953 51.907 0.245 8.02 4 5.5 0.2
82 4 3 -1 25.966 51.931 0.245 8.01 4 12.9 1.2
83 4 3 1 26.0 52.0 0.245 7.98 4 11.7 1.0
84 6 0 -1 26.069 52.139 0.246 7.94 2 29.8 3.1
85 1 4 -1 26.082 52.164 0.246 7.93 4 13.2 1.2
86 1 4 1 26.09 52.181 0.246 7.92 4 15.0 1.6
87 6 0 1 26.121 52.241 0.246 7.9 2 27.8 2.7
88 6 1 -1 26.811 53.623 0.252 7.44 4 27.0 4.9
89 6 1 1 26.861 53.723 0.253 7.41 4 27.3 4.9
90 2 3 -2 26.946 53.892 0.253 7.36 4 2.6 0.0
91 2 3 2 26.979 53.959 0.254 7.34 4 4.0 0.1
92 2 4 -1 27.092 54.184 0.255 7.27 4 81.5 43.2
93 2 4 1 27.109 54.217 0.255 7.26 4 81.4 43.0
94 3 4 0 27.112 54.225 0.255 7.26 4 132.4 113.6
95 4 2 -2 27.287 54.573 0.256 7.15 4 99.8 63.7
96 0 0 3 27.344 54.687 0.257 7.12 2 3.5 0.0
97 5 3 0 27.345 54.69 0.257 7.12 4 43.3 11.9
98 4 2 2 27.353 54.705 0.257 7.11 4 99.8 63.2
99 6 2 0 27.368 54.737 0.257 7.1 4 49.0 15.3
100 0 1 3 28.062 56.125 0.263 6.71 4 69.8 29.2
101 5 1 -2 28.082 56.163 0.263 6.7 4 143.6 123.4
102 5 1 2 28.163 56.325 0.264 6.66 4 145.0 124.9
103 1 1 -3 28.375 56.75 0.266 6.55 4 22.6 3.0
104 1 1 3 28.399 56.798 0.266 6.53 4 17.0 1.7
105 3 3 -2 28.579 57.159 0.267 6.44 4 4.8 0.1
106 2 0 -3 28.626 57.251 0.268 6.42 2 15.4 0.7
107 3 3 2 28.628 57.255 0.268 6.42 4 4.6 0.1
108 2 0 3 28.674 57.347 0.268 6.39 2 17.5 0.9
109 3 4 -1 28.724 57.447 0.269 6.37 4 26.9 4.1
110 3 4 1 28.748 57.495 0.269 6.35 4 29.0 4.8
111 5 3 -1 28.94 57.879 0.27 6.26 4 57.3 18.4
112 6 2 -1 28.958 57.916 0.271 6.25 4 47.6 12.6
113 5 3 1 28.979 57.959 0.271 6.24 4 54.7 16.7
114 6 2 1 29.006 58.012 0.271 6.23 4 50.6 14.2
115 2 1 -3 29.324 58.647 0.274 6.08 4 25.5 3.5
116 2 1 3 29.371 58.742 0.274 6.05 4 26.0 3.7
117 4 4 0 29.385 58.77 0.274 6.05 4 59.4 19.0
118 7 1 0 29.452 58.904 0.275 6.02 4 55.4 16.5
119 0 2 3 30.151 60.301 0.281 5.71 4 2.7 0.0
120 5 2 -2 30.169 60.338 0.281 5.7 4 17.9 1.6
121 5 2 2 30.246 60.493 0.282 5.67 4 18.7 1.8
122 1 2 -3 30.45 60.899 0.283 5.58 4 41.4 8.5
123 1 2 3 30.473 60.945 0.283 5.58 4 36.7 6.7
124 0 4 2 30.589 61.178 0.284 5.53 4 62.0 19.0
125 4 3 -2 30.774 61.548 0.286 5.45 4 30.7 4.6
126 4 3 2 30.835 61.671 0.287 5.43 4 29.9 4.3
127 1 5 0 30.842 61.684 0.287 5.43 4 4.9 0.1
128 6 3 0 30.85 61.7 0.287 5.43 4 23.6 2.7
129 6 0 -2 30.859 61.719 0.287 5.42 2 67.9 11.2
130 3 1 -3 30.871 61.743 0.287 5.42 4 49.0 11.6
131 1 4 -2 30.89 61.779 0.287 5.41 4 106.4 54.7
132 1 4 2 30.905 61.81 0.287 5.4 4 104.9 53.1
133 4 4 -1 30.916 61.832 0.287 5.4 4 36.0 6.3
134 3 1 3 30.94 61.88 0.287 5.39 4 48.3 11.2
135 4 4 1 30.946 61.893 0.287 5.39 4 33.3 5.3
136 6 0 2 30.951 61.902 0.287 5.39 2 69.0 11.4
137 7 1 -1 30.969 61.939 0.288 5.38 4 8.7 0.4
138 7 1 1 31.023 62.046 0.288 5.36 4 8.1 0.3
139 2 2 -3 31.359 62.719 0.291 5.23 4 16.8 1.3
140 2 2 3 31.405 62.809 0.291 5.22 4 20.1 1.9
141 7 2 0 31.483 62.965 0.292 5.19 4 186.2 160.6
142 6 1 -2 31.527 63.054 0.292 5.17 4 20.0 1.8
143 6 1 2 31.618 63.235 0.293 5.14 4 20.5 1.9
144 2 5 0 31.756 63.513 0.294 5.09 4 51.2 11.9
145 2 4 -2 31.796 63.592 0.295 5.08 4 36.2 5.9
146 2 4 2 31.826 63.652 0.295 5.07 4 35.5 5.7
147 0 5 1 32.047 64.094 0.297 4.99 4 46.5 9.6
148 5 4 0 32.156 64.313 0.298 4.95 4 41.8 7.7
149 4 0 -3 32.32 64.64 0.299 4.9 2 147.3 47.4
150 6 3 -1 32.332 64.665 0.299 4.9 4 114.8 57.6
151 1 5 -1 32.343 64.686 0.299 4.89 4 26.6 3.1
152 1 5 1 32.351 64.701 0.299 4.89 4 25.2 2.8
153 6 3 1 32.377 64.754 0.299 4.88 4 112.9 55.5
154 4 0 3 32.409 64.819 0.3 4.87 2 146.6 46.7
155 3 2 -3 32.851 65.702 0.303 4.73 4 41.2 7.2
156 3 2 3 32.917 65.835 0.304 4.71 4 41.0 7.1
157 7 2 -1 32.946 65.891 0.304 4.7 4 10.6 0.5
158 4 1 -3 32.971 65.942 0.304 4.69 4 8.2 0.3
159 7 2 1 32.997 65.995 0.304 4.69 4 8.9 0.3
160 4 1 3 33.06 66.119 0.305 4.67 4 9.2 0.4
161 2 5 -1 33.231 66.462 0.306 4.62 4 118.2 57.6
162 2 5 1 33.246 66.492 0.306 4.61 4 120.5 59.8
163 3 5 0 33.249 66.499 0.306 4.61 4 7.4 0.2
164 3 4 -2 33.281 66.561 0.307 4.6 4 123.9 63.1
165 3 4 2 33.325 66.649 0.307 4.59 4 122.6 61.6
166 8 0 0 33.354 66.707 0.307 4.58 2 106.8 23.3
167 0 3 3 33.454 66.909 0.308 4.55 4 15.8 1.0
168 5 3 -2 33.472 66.944 0.308 4.55 4 150.5 92.0
169 6 2 -2 33.485 66.97 0.308 4.54 4 53.4 11.6
170 5 3 2 33.545 67.09 0.309 4.52 4 150.1 91.1
171 6 2 2 33.573 67.146 0.309 4.52 4 54.6 12.0
172 5 4 -1 33.611 67.222 0.309 4.51 4 6.3 0.2
173 5 4 1 33.647 67.295 0.31 4.5 4 5.5 0.1
174 1 3 -3 33.737 67.474 0.31 4.47 4 60.6 14.6
175 1 3 3 33.759 67.518 0.311 4.46 4 64.2 16.5
176 8 1 0 33.995 67.989 0.313 4.4 4 57.1 12.8
177 2 3 -3 34.6 69.199 0.317 4.24 4 99.6 37.6
178 2 3 3 34.643 69.286 0.318 4.23 4 101.0 38.5
179 3 5 -1 34.688 69.376 0.318 4.22 4 21.2 1.7
180 3 5 1 34.71 69.419 0.318 4.22 4 23.9 2.2
181 7 3 0 34.717 69.434 0.318 4.21 4 17.6 1.2
182 8 0 -1 34.772 69.544 0.319 4.2 2 19.1 0.7
183 8 0 1 34.83 69.659 0.319 4.19 2 19.9 0.7
184 4 2 -3 34.887 69.775 0.32 4.17 4 78.3 22.8
185 4 2 3 34.973 69.947 0.32 4.15 4 77.7 22.4
186 4 5 0 35.285 70.571 0.323 4.08 4 24.5 2.2
187 4 4 -2 35.309 70.617 0.323 4.07 4 2.6 0.0
188 7 1 -2 35.348 70.696 0.323 4.06 4 2.9 0.0
189 4 4 2 35.366 70.731 0.324 4.06 4 3.9 0.1
190 6 4 0 35.379 70.758 0.324 4.06 4 78.7 22.4
191 8 1 -1 35.401 70.802 0.324 4.05 4 50.7 9.3
192 7 1 2 35.448 70.895 0.324 4.04 4 2.6 0.0
193 8 1 1 35.458 70.916 0.324 4.04 4 49.9 9.0
194 5 1 -3 35.578 71.156 0.325 4.01 4 19.3 1.3
195 5 1 3 35.685 71.369 0.326 3.99 4 20.6 1.5
196 8 2 0 35.885 71.77 0.328 3.94 4 217.3 166.3
197 3 3 -3 36.023 72.047 0.329 3.91 4 19.6 1.3
198 3 3 3 36.087 72.174 0.329 3.9 4 18.1 1.1
199 7 3 -1 36.114 72.228 0.329 3.9 4 13.1 0.6
200 7 3 1 36.164 72.327 0.33 3.89 4 12.8 0.6
201 0 5 2 36.384 72.768 0.332 3.84 4 0.7 0.0
202 6 3 -2 36.632 73.264 0.334 3.79 4 225.0 171.3
203 1 5 -2 36.66 73.319 0.334 3.78 4 19.0 1.2
204 1 5 2 36.674 73.348 0.334 3.78 4 19.5 1.3
205 4 5 -1 36.684 73.368 0.334 3.78 4 31.8 3.4
206 4 5 1 36.712 73.424 0.334 3.77 4 33.5 3.8
207 6 3 2 36.716 73.433 0.334 3.77 4 225.7 171.6
208 6 4 -1 36.769 73.538 0.335 3.76 4 31.0 3.2
209 6 4 1 36.811 73.623 0.335 3.76 4 29.1 2.8
210 7 2 -2 37.208 74.417 0.338 3.68 4 25.7 2.2
211 8 2 -1 37.26 74.521 0.338 3.67 4 5.8 0.1
212 7 2 2 37.306 74.612 0.339 3.66 4 25.3 2.1
213 8 2 1 37.316 74.632 0.339 3.66 4 4.1 0.1
214 5 2 -3 37.434 74.868 0.34 3.64 4 24.6 2.0
215 2 5 -2 37.497 74.993 0.34 3.63 4 260.8 220.4
216 2 5 2 37.525 75.049 0.34 3.62 4 260.3 219.3
217 5 2 3 37.539 75.077 0.341 3.62 4 24.4 1.9
218 0 6 0 37.564 75.129 0.341 3.62 2 105.3 17.9
219 0 0 4 37.766 75.532 0.342 3.58 2 405.8 263.5
220 0 4 3 37.83 75.661 0.343 3.57 4 1.8 0.0
221 5 5 0 37.831 75.663 0.343 3.57 4 20.2 1.3
222 1 6 0 37.844 75.688 0.343 3.57 4 115.1 42.2
223 5 4 -2 37.847 75.694 0.343 3.57 4 45.5 6.6
224 5 4 2 37.917 75.833 0.344 3.56 4 45.5 6.6
225 4 3 -3 37.984 75.968 0.344 3.55 4 29.2 2.7
226 6 0 -3 38.054 76.109 0.345 3.54 2 37.9 2.3
227 4 3 3 38.067 76.134 0.345 3.53 4 27.3 2.4
228 1 4 -3 38.099 76.198 0.345 3.53 4 27.2 2.3
229 1 4 3 38.12 76.24 0.345 3.52 4 25.4 2.0
230 6 0 3 38.179 76.358 0.346 3.51 2 38.4 2.3
231 0 1 4 38.375 76.75 0.347 3.48 4 1.4 0.0
232 1 1 -4 38.639 77.278 0.349 3.44 4 48.6 7.3
233 6 1 -3 38.662 77.324 0.349 3.44 4 27.2 2.3
234 1 1 4 38.667 77.333 0.349 3.44 4 49.1 7.4
235 2 6 0 38.679 77.358 0.349 3.44 4 43.6 5.8
236 6 1 3 38.786 77.573 0.35 3.42 4 27.1 2.2
237 9 1 0 38.816 77.632 0.35 3.42 4 148.2 67.0
238 2 0 -4 38.851 77.702 0.351 3.41 2 45.5 3.1
239 3 5 -2 38.882 77.764 0.351 3.41 4 50.0 7.6
240 2 0 4 38.906 77.812 0.351 3.4 2 44.7 3.0
241 2 4 -3 38.922 77.844 0.351 3.4 4 45.0 6.1
242 3 5 2 38.923 77.847 0.351 3.4 4 49.4 7.4
243 8 0 -2 38.946 77.891 0.351 3.4 2 177.0 47.5
244 0 6 1 38.946 77.891 0.351 3.4 4 0.6 0.0
245 8 3 0 38.951 77.902 0.351 3.4 4 31.2 3.0
246 2 4 3 38.963 77.926 0.352 3.39 4 43.6 5.8
247 7 4 0 39.034 78.068 0.352 3.38 4 114.0 39.3
248 8 0 2 39.056 78.111 0.352 3.38 2 176.0 46.8
249 5 5 -1 39.193 78.385 0.353 3.36 4 13.2 0.5
250 1 6 -1 39.219 78.437 0.353 3.36 4 31.5 3.0
251 1 6 1 39.226 78.451 0.353 3.36 4 29.1 2.5
252 5 5 1 39.227 78.454 0.354 3.36 4 14.1 0.6
253 2 1 -4 39.455 78.91 0.355 3.33 4 3.2 0.0
254 2 1 4 39.51 79.02 0.356 3.32 4 4.7 0.1
255 8 1 -2 39.549 79.098 0.356 3.31 4 36.8 4.0
256 8 1 2 39.659 79.318 0.357 3.3 4 38.0 4.3
257 2 6 -1 40.042 80.083 0.36 3.25 4 8.4 0.2
258 2 6 1 40.055 80.111 0.36 3.25 4 9.1 0.2
259 3 6 0 40.059 80.117 0.36 3.25 4 111.9 36.3
260 9 1 -1 40.154 80.307 0.36 3.24 4 32.7 3.1
261 0 2 4 40.186 80.372 0.361 3.23 4 0.1 0.0
262 9 1 1 40.215 80.43 0.361 3.23 4 30.5 2.7
263 7 3 -2 40.24 80.48 0.361 3.23 4 5.1 0.1
264 3 4 -3 40.289 80.578 0.361 3.22 4 27.5 2.2
265 8 3 -1 40.291 80.581 0.361 3.22 4 9.9 0.3
266 7 3 2 40.335 80.671 0.362 3.21 4 6.1 0.1
267 8 3 1 40.345 80.691 0.362 3.21 4 8.5 0.2
268 3 4 3 40.351 80.701 0.362 3.21 4 25.9 1.9
269 7 4 -1 40.377 80.753 0.362 3.21 4 5.4 0.1
270 7 4 1 40.424 80.849 0.362 3.2 4 6.7 0.1
271 1 2 -4 40.447 80.893 0.363 3.2 4 21.3 1.3
272 5 3 -3 40.46 80.921 0.363 3.2 4 57.0 9.3
273 6 2 -3 40.469 80.939 0.363 3.2 4 19.9 1.1
274 1 2 4 40.474 80.948 0.363 3.2 4 23.5 1.6
275 5 3 3 40.563 81.125 0.364 3.19 4 59.4 10.1
276 6 2 3 40.592 81.184 0.364 3.18 4 18.7 1.0
277 9 2 0 40.621 81.243 0.364 3.18 4 16.6 0.8
278 4 5 -2 40.801 81.602 0.365 3.16 4 64.0 11.5
279 3 1 -4 40.814 81.629 0.365 3.16 4 46.8 6.2
280 4 5 2 40.856 81.711 0.366 3.15 4 63.1 11.2
281 6 5 0 40.869 81.737 0.366 3.15 4 185.5 96.9
282 6 4 -2 40.877 81.754 0.366 3.15 4 18.7 1.0
283 3 1 4 40.896 81.792 0.366 3.15 4 44.2 5.5
284 6 4 2 40.959 81.917 0.366 3.14 4 18.3 0.9
285 2 2 -4 41.254 82.507 0.369 3.11 4 3.2 0.0
286 2 2 4 41.308 82.616 0.369 3.11 4 2.0 0.0
287 8 2 -2 41.347 82.694 0.369 3.1 4 3.2 0.0
288 3 6 -1 41.407 82.813 0.37 3.1 4 68.6 13.0
289 3 6 1 41.427 82.854 0.37 3.09 4 65.3 11.8
290 8 2 2 41.455 82.911 0.37 3.09 4 1.9 0.0
291 9 2 -1 41.946 83.891 0.374 3.04 4 10.9 0.3
292 4 6 0 41.972 83.944 0.374 3.04 4 25.2 1.7
293 9 2 1 42.006 84.013 0.374 3.04 4 10.3 0.3
294 4 0 -4 42.114 84.227 0.375 3.03 2 88.2 10.5
295 4 4 -3 42.19 84.38 0.375 3.02 4 20.7 1.2
296 6 5 -1 42.201 84.403 0.375 3.02 4 67.9 12.4
297 7 1 -3 42.217 84.435 0.376 3.02 4 31.8 2.7
298 4 0 4 42.222 84.444 0.376 3.02 2 90.0 10.9
299 6 5 1 42.242 84.484 0.376 3.02 4 69.7 13.1
300 4 4 3 42.271 84.543 0.376 3.01 4 21.5 1.2
301 7 1 3 42.359 84.719 0.377 3.01 4 31.1 2.6
302 3 2 -4 42.601 85.202 0.378 2.99 4 48.3 6.2
303 3 2 4 42.682 85.364 0.379 2.98 4 47.0 5.9
304 4 1 -4 42.708 85.415 0.379 2.98 4 3.3 0.0
305 4 1 4 42.816 85.631 0.38 2.97 4 2.7 0.0
306 0 6 2 43.019 86.037 0.381 2.95 4 38.1 3.8
307 8 4 0 43.135 86.27 0.382 2.94 4 10.0 0.3
308 0 3 4 43.165 86.33 0.382 2.94 4 0.1 0.0
309 0 5 3 43.228 86.456 0.383 2.94 4 56.7 8.4
310 5 5 -2 43.244 86.488 0.383 2.94 4 18.3 0.9
311 1 6 -2 43.283 86.566 0.383 2.93 4 4.7 0.1
312 1 6 2 43.296 86.593 0.383 2.93 4 3.3 0.0
313 4 6 -1 43.306 86.612 0.383 2.93 4 43.4 4.9
314 5 5 2 43.311 86.623 0.383 2.93 4 18.9 0.9
315 4 6 1 43.333 86.666 0.384 2.93 4 44.7 5.2
316 10 0 0 43.413 86.827 0.384 2.92 2 76.6 7.7
317 1 3 -4 43.423 86.845 0.384 2.92 4 96.8 24.5
318 6 3 -3 43.445 86.891 0.384 2.92 4 92.2 22.2
319 1 3 4 43.45 86.899 0.384 2.92 4 98.0 25.0
320 1 5 -3 43.489 86.977 0.385 2.92 4 9.1 0.2
321 1 5 3 43.509 87.018 0.385 2.92 4 11.8 0.4
322 6 3 3 43.567 87.133 0.385 2.91 4 93.7 22.8
323 9 3 0 43.596 87.191 0.385 2.91 4 23.3 1.4
324 7 2 -3 43.996 87.992 0.388 2.88 4 15.8 0.6
325 10 1 0 44.005 88.011 0.388 2.88 4 84.5 18.4
326 2 6 -2 44.089 88.178 0.389 2.88 4 23.1 1.4
327 2 6 2 44.116 88.232 0.389 2.88 4 23.7 1.4
328 7 2 3 44.138 88.275 0.389 2.88 4 15.9 0.7
329 9 1 -2 44.176 88.351 0.39 2.87 4 53.6 7.4
330 2 3 -4 44.222 88.444 0.39 2.87 4 148.5 56.5
331 2 3 4 44.276 88.551 0.39 2.87 4 150.1 57.7
332 2 5 -3 44.291 88.582 0.39 2.87 4 118.4 35.9
333 9 1 2 44.297 88.594 0.39 2.87 4 52.4 7.0
334 8 3 -2 44.314 88.629 0.391 2.87 4 89.6 20.5
335 2 5 3 44.332 88.663 0.391 2.86 4 115.4 34.1
336 7 5 0 44.401 88.802 0.391 2.86 4 41.9 4.5
337 7 4 -2 44.403 88.805 0.391 2.86 4 50.2 6.4
338 5 6 0 44.413 88.826 0.391 2.86 4 42.9 4.7
339 8 3 2 44.422 88.844 0.391 2.86 4 89.9 20.6
340 8 4 -1 44.453 88.905 0.391 2.86 4 37.2 3.5
341 4 2 -4 44.485 88.969 0.392 2.86 4 72.2 13.3
342 7 4 2 44.497 88.994 0.392 2.85 4 50.9 6.6
343 8 4 1 44.506 89.013 0.392 2.85 4 36.2 3.3
344 4 2 4 44.592 89.185 0.392 2.85 4 71.8 13.1
345 5 4 -3 44.62 89.24 0.393 2.85 4 24.0 1.5
346 5 4 3 44.721 89.442 0.393 2.84 4 23.8 1.4
347 10 0 -1 44.724 89.447 0.393 2.84 2 75.9 7.3
348 10 0 1 44.791 89.582 0.394 2.84 2 77.2 7.5
349 9 3 -1 44.909 89.818 0.395 2.83 4 57.6 8.4
350 9 3 1 44.97 89.939 0.395 2.83 4 59.2 8.9
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 1 1 0 7.046 14.092 7.2917 744.4 88.3 90.0 5.6
2 2 0 0 7.9 15.801 6.50747 232.1 27.5 28.0 5.6
3 0 1 1 10.589 21.177 4.86762 65.3 7.7 7.9 5.6
4 1 1 1 11.323 22.646 4.55571 109.0 12.9 13.1 5.6
5 1 2 0 12.388 24.775 4.16952 49.3 5.8 5.9 5.6
6 2 1 -1 13.251 26.502 3.90218 21.3 2.5 2.5 5.6
7 3 1 0 13.289 26.577 3.89142 203.1 24.1 24.3 5.6
8 1 2 -1 15.275 30.549 3.39523 58.8 7.0 7.0 5.6
9 4 0 0 15.956 31.912 3.25374 200.3 23.8 23.9 5.6
10 3 1 -1 16.013 32.027 3.24243 27.5 3.3 3.3 5.6
11 3 1 1 16.051 32.103 3.23495 30.3 3.6 3.6 5.6
12 3 2 0 16.828 33.655 3.08975 89.2 10.6 10.6 5.7
13 0 0 2 17.831 35.663 2.92099 65.9 7.8 7.8 5.7
14 1 3 0 18.209 36.417 2.86248 319.2 37.9 37.9 5.7
15 4 0 -1 18.318 36.636 2.84596 427.4 50.7 50.8 5.7
16 4 0 1 18.363 36.726 2.83922 410.0 48.6 48.7 5.7
17 3 2 -1 19.1 38.2 2.73352 87.9 10.4 10.4 5.7
18 3 2 1 19.133 38.265 2.72903 92.3 10.9 11.0 5.7
19 1 1 -2 19.25 38.501 2.71298 843.0 100.0 100.0 5.7
20 2 3 0 19.535 39.07 2.67496 574.9 68.2 68.2 5.7
21 4 2 0 19.99 39.981 2.61645 133.1 15.8 15.8 5.7
22 1 3 -1 20.358 40.716 2.57112 62.1 7.4 7.4 5.7
23 2 1 -2 20.509 41.019 2.55298 95.7 11.4 11.3 5.7
24 2 1 2 20.55 41.101 2.5481 93.2 11.1 11.0 5.7
25 5 1 0 20.998 41.996 2.49615 79.0 9.4 9.3 5.7
26 0 2 2 21.562 43.125 2.43381 448.3 53.2 52.9 5.7
27 4 2 -1 21.979 43.958 2.3899 118.4 14.0 14.0 5.7
28 4 2 1 22.018 44.036 2.3859 128.7 15.3 15.2 5.7
29 3 1 -2 22.484 44.968 2.33891 139.6 16.6 16.5 5.7
30 3 1 2 22.541 45.082 2.33329 141.2 16.7 16.6 5.7
31 3 3 -1 23.476 46.952 2.24534 27.0 3.2 3.2 5.7
32 0 4 0 23.981 47.962 2.20075 9.7 1.2 1.1 5.7
33 4 0 -2 24.264 48.528 2.17663 148.9 17.7 17.5 5.7
34 1 4 0 24.343 48.687 2.16995 333.8 39.6 39.2 5.7
35 3 2 -2 24.896 49.793 2.12472 43.8 5.2 5.1 5.7
36 3 2 2 24.949 49.899 2.1205 44.5 5.3 5.2 5.7
37 4 1 -2 25.044 50.088 2.11299 229.1 27.2 26.8 5.7
38 4 1 2 25.114 50.228 2.10747 226.4 26.9 26.5 5.8
39 2 4 0 25.407 50.814 2.08476 111.8 13.3 13.1 5.8
40 3 4 0 27.112 54.225 1.96266 199.7 23.7 23.3 5.8
41 4 2 -2 27.287 54.573 1.95109 63.7 7.6 7.4 5.8
42 6 2 0 27.368 54.737 1.94571 90.4 10.7 10.5 5.8
43 5 1 -2 28.082 56.163 1.90016 152.6 18.1 17.7 5.8
44 5 1 2 28.163 56.325 1.89514 124.9 14.8 14.5 5.8
45 3 4 1 28.748 57.495 1.85976 8.9 1.1 1.0 5.8
46 5 3 -1 28.94 57.879 1.84849 31.0 3.7 3.6 5.8
47 5 3 1 28.979 57.959 1.84617 30.9 3.7 3.6 5.8
48 4 4 0 29.385 58.77 1.82292 22.7 2.7 2.6 5.8
49 7 1 0 29.452 58.904 1.81915 16.5 2.0 1.9 5.8
50 1 2 -3 30.45 60.899 1.76499 15.3 1.8 1.8 5.8
51 0 4 2 30.589 61.178 1.7577 19.0 2.2 2.2 5.8
52 6 0 -2 30.859 61.719 1.74382 18.3 2.2 2.1 5.8
53 1 4 -2 30.89 61.779 1.74228 125.6 14.9 14.5 5.8
54 6 0 2 30.951 61.902 1.73916 28.4 3.4 3.3 5.8
55 7 2 0 31.483 62.965 1.71274 160.6 19.0 18.5 5.9
56 2 5 0 31.756 63.513 1.6995 11.9 1.4 1.4 5.9
57 0 5 1 32.047 64.094 1.68571 9.6 1.1 1.1 5.9
58 6 3 -1 32.332 64.665 1.67242 108.1 12.8 12.4 5.9
59 6 3 1 32.377 64.754 1.67036 58.3 6.9 6.7 5.9
60 4 0 3 32.409 64.819 1.66888 46.7 5.5 5.4 5.9
61 2 5 1 33.246 66.492 1.63153 117.6 14.0 13.5 5.9
62 3 4 -2 33.281 66.561 1.63003 63.1 7.5 7.2 5.9
63 3 4 2 33.325 66.649 1.62812 84.9 10.1 9.7 5.9
64 5 3 -2 33.472 66.944 1.62179 104.5 12.4 12.0 5.9
65 5 3 2 33.545 67.09 1.61867 103.1 12.2 11.8 5.9
66 1 3 3 33.759 67.518 1.60962 31.1 3.7 3.6 5.9
67 8 1 0 33.995 67.989 1.59978 12.8 1.5 1.5 5.9
68 2 3 -3 34.6 69.199 1.5752 37.6 4.5 4.3 5.9
69 2 3 3 34.643 69.286 1.57348 38.5 4.6 4.4 5.9
70 4 2 -3 34.887 69.775 1.56383 22.8 2.7 2.6 5.9
71 4 2 3 34.973 69.947 1.56047 22.4 2.7 2.5 5.9
72 6 4 0 35.379 70.758 1.54487 31.8 3.8 3.6 5.9
73 8 1 1 35.458 70.916 1.54189 9.0 1.1 1.0 5.9
74 8 2 0 35.885 71.77 1.52597 166.3 19.7 18.9 5.9
75 6 3 -2 36.632 73.264 1.49908 172.5 20.5 19.5 6.0
76 6 3 2 36.716 73.433 1.49612 175.4 20.8 19.8 6.0
77 2 5 -2 37.497 74.993 1.46942 439.6 52.2 49.5 6.0
78 0 6 0 37.564 75.129 1.46717 19.8 2.4 2.2 6.0
79 0 0 4 37.766 75.532 1.46049 263.5 31.3 29.6 6.0
80 5 4 -2 37.847 75.694 1.45783 50.1 5.9 5.6 6.0
81 1 1 4 38.667 77.333 1.43162 22.8 2.7 2.6 6.0
82 9 1 0 38.816 77.632 1.42698 69.2 8.2 7.8 6.0
83 3 5 -2 38.882 77.764 1.42493 10.6 1.3 1.2 6.0
84 8 0 -2 38.946 77.891 1.42298 69.8 8.3 7.8 6.0
85 8 0 2 39.056 78.111 1.41961 86.1 10.2 9.6 6.0
86 3 6 0 40.059 80.117 1.38984 36.3 4.3 4.0 6.0
87 1 2 4 40.474 80.948 1.378 13.3 1.6 1.5 6.1
88 5 3 3 40.563 81.125 1.3755 11.0 1.3 1.2 6.1
89 4 5 -2 40.801 81.602 1.36886 17.7 2.1 2.0 6.1
90 6 5 0 40.869 81.737 1.36699 114.5 13.6 12.7 6.1
91 3 6 -1 41.407 82.813 1.35237 24.8 2.9 2.7 6.1
92 4 0 -4 42.114 84.227 1.33381 10.5 1.2 1.2 6.1
93 6 5 1 42.242 84.484 1.33052 41.6 4.9 4.6 6.1
94 0 5 3 43.228 86.456 1.30597 9.3 1.1 1.0 6.1
95 4 6 1 43.333 86.666 1.30342 11.1 1.3 1.2 6.1
96 1 3 4 43.45 86.899 1.30062 79.4 9.4 8.7 6.1
97 6 3 3 43.567 87.133 1.29783 24.2 2.9 2.7 6.2
98 10 1 0 44.005 88.011 1.2875 18.4 2.2 2.0 6.2
99 2 3 -4 44.222 88.444 1.28249 56.5 6.7 6.2 6.2
100 2 3 4 44.276 88.551 1.28126 100.6 11.9 11.0 6.2
101 2 5 3 44.332 88.663 1.27998 54.6 6.5 6.0 6.2
102 8 3 2 44.422 88.844 1.27791 39.8 4.7 4.3 6.2
103 4 2 -4 44.485 88.969 1.27649 23.2 2.8 2.5 6.2
104 4 2 4 44.592 89.185 1.27405 14.6 1.7 1.6 6.2
105 10 0 -1 44.724 89.447 1.27111 8.7 1.0 1.0 6.2
106 9 3 1 44.97 89.939 1.26563 8.9 1.1 1.0 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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