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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KALBORSITE
1
K(6)[Al(4)Si(6)O(20)][B(OH)(4)]Cl
Tetragonal P 4(-)2(1)c Z = 2
R =0.053 NR =881
21 .4 .1994
Ref.Str.:
Malinovskii Iu.A., Belov N.V. (1980)
* Dokl. Akad. Nauk SSSR, 252, 3, 611-615
Reserv:
There are U(ij) in the article. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.851 alpha = 90.0
b = 9.851 beta = 90.0
c = 13.06 gamma = 90.0
Unit cell volume (cub. angs.) = 1267.37
Molar volume ( cub.cm/mol.) = 381.69
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.2479 1.55 K = 1.00
2 0.2196 0.2182 0.0639 1.61 K = 1.00
3 0.386 0.1587 0.3067 0.58 Si = 1.00
4 0.0 0.5 0.0057 0.5 Si = 1.00
5 0.1549 0.3901 0.3134 0.35 Al = 1.00
6 0.0 0.0 0.5 1.0 B = 1.00
7 0.3026 0.2998 0.3163 1.0 O = 1.00
8 0.0905 0.4027 0.4384 1.6 O = 1.00
9 0.4017 0.0974 0.4222 1.4 O = 1.00
10 0.3113 0.0484 0.2325 1.1 O = 1.00
11 0.0431 0.3051 0.2302 1.3 O = 1.00
12 0.4446 0.3936 0.0625 2.2 O = 1.00
13 0.0 0.0 0.0 1.61 Cl = 1.00
14 0.051 0.122 0.564 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.2479
2 2 0.2196 0.2182 0.0639
3 3 0.386 0.1587 0.3067
4 4 0.0 0.5 0.0057
5 5 0.1549 0.3901 0.3134
6 6 0.0 0.0 0.5
7 7 0.3026 0.2998 0.3163
8 8 0.0905 0.4027 0.4384
9 9 0.4017 0.0974 0.4222
10 10 0.3113 0.0484 0.2325
11 11 0.0431 0.3051 0.2302
12 12 0.4446 0.3936 0.0625
13 13 0.0 0.0 0.0
14 14 0.051 0.122 0.564
15 1 0.0 0.0 0.7521
16 2 0.2182 0.7804 0.9361
17 2 0.7804 0.7818 0.0639
18 2 0.7818 0.2196 0.9361
19 3 0.1587 0.614 0.6933
20 3 0.614 0.8413 0.3067
21 3 0.8413 0.386 0.6933
22 4 0.5 0.0 0.9943
23 5 0.3901 0.8451 0.6866
24 5 0.8451 0.6099 0.3134
25 5 0.6099 0.1549 0.6866
26 7 0.2998 0.6974 0.6837
27 7 0.6974 0.7002 0.3163
28 7 0.7002 0.3026 0.6837
29 8 0.4027 0.9095 0.5616
30 8 0.9095 0.5973 0.4384
31 8 0.5973 0.0905 0.5616
32 9 0.0974 0.5983 0.5778
33 9 0.5983 0.9026 0.4222
34 9 0.9026 0.4017 0.5778
35 10 0.0484 0.6887 0.7675
36 10 0.6887 0.9516 0.2325
37 10 0.9516 0.3113 0.7675
38 11 0.3051 0.9569 0.7698
39 11 0.9569 0.6949 0.2302
40 11 0.6949 0.0431 0.7698
41 12 0.3936 0.5554 0.9375
42 12 0.5554 0.6064 0.0625
43 12 0.6064 0.4446 0.9375
44 14 0.122 0.949 0.436
45 14 0.949 0.878 0.564
46 14 0.878 0.051 0.436
47 1 0.5 0.5 0.2521
48 2 0.2804 0.7182 0.4361
49 3 0.114 0.6587 0.1933
50 4 0.5 0.0 0.4943
51 5 0.3451 0.8901 0.1866
52 6 0.5 0.5 0.0
53 7 0.1974 0.7998 0.1837
54 8 0.4095 0.9027 0.0616
55 9 0.0983 0.5974 0.0778
56 10 0.1887 0.5484 0.2675
57 11 0.4569 0.8051 0.2698
58 12 0.0554 0.8936 0.4375
59 13 0.5 0.5 0.5
60 14 0.449 0.622 0.936
61 1 0.5 0.5 0.7479
62 2 0.2818 0.2804 0.5639
63 2 0.7196 0.2818 0.4361
64 2 0.7182 0.7196 0.5639
65 3 0.3413 0.114 0.8067
66 3 0.886 0.3413 0.1933
67 3 0.6587 0.886 0.8067
68 4 0.0 0.5 0.5057
69 5 0.1099 0.3451 0.8134
70 5 0.6549 0.1099 0.1866
71 5 0.8901 0.6549 0.8134
72 7 0.2002 0.1974 0.8163
73 7 0.8026 0.2002 0.1837
74 7 0.7998 0.8026 0.8163
75 8 0.0973 0.4095 0.9384
76 8 0.5905 0.0973 0.0616
77 8 0.9027 0.5905 0.9384
78 9 0.4026 0.0983 0.9222
79 9 0.9017 0.4026 0.0778
80 9 0.5974 0.9017 0.9222
81 10 0.4516 0.1887 0.7325
82 10 0.8113 0.4516 0.2675
83 10 0.5484 0.8113 0.7325
84 11 0.1949 0.4569 0.7302
85 11 0.5431 0.1949 0.2698
86 11 0.8051 0.5431 0.7302
87 12 0.1064 0.0554 0.5625
88 12 0.9446 0.1064 0.4375
89 12 0.8936 0.9446 0.5625
90 14 0.378 0.449 0.064
91 14 0.551 0.378 0.936
92 14 0.622 0.551 0.064
X-ray density (g/cm cub.) = 2.48
MU (1/cm) = 149.853 Mass attenuation coefficient (cm**2/g) = 60.515
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.768 9
3.11 10
3.0442 11
3.2376 13
3.11 10
3.0442 11
2.8938 7
2.7437 12
2.8938 7
2.7437 12
2 K 3.768 10
3.4901 7
2.909 10
2.9108 11
2.8104 12
3.1617 13
3.6277 8
3.2458 7
2.7729 8
2.8407 9
3.6249 9
3 Si 2.64 4
1.6195 7
1.6322 9
1.6313 10
1.6597 11
4 Si 2.64 4
1.6568 9
1.5767 8
1.5767 8
1.6568 9
5 Al 2.856 4
1.7058 7
1.7558 8
1.7592 11
1.7035 10
6 B 2.412 4
1.4362 12
1.4362 12
1.4362 12
1.4362 12
7 O 3.804 8
2.8171 8
2.6156 9
2.7089 10
2.7932 11
3.7145 12
2.7681 10
3.6642 13
2.6551 11
8 O 3.804 9
2.8171 7
2.9216 11
2.618 8
2.6518 9
2.5963 9
2.8244 10
3.5747 10
3.789 12
3.2535 12
9 O 3.804 8
2.6156 7
2.6766 10
2.5963 8
2.6518 8
2.7264 9
3.5424 11
2.6123 11
3.4628 12
10 O 3.804 8
2.7089 7
2.6766 9
3.6573 11
2.7681 7
2.8244 8
2.8353 11
3.5747 8
2.7449 11
11 O 3.804 9
2.7932 7
2.9216 8
3.6573 10
3.5424 9
2.8353 10
2.6551 7
2.6123 9
2.7449 10
3.4789 12
12 O 3.804 8
3.7145 7
2.3362 12
2.3634 12
2.3362 12
3.789 8
3.2535 8
3.4628 9
3.4789 11
13 Cl 4.344 20
4.3418 10
4.2722 11
4.3418 10
4.3418 10
4.3418 10
4.2722 11
4.2722 11
4.2722 11
3.6642 7
4.2236 8
4.2071 9
3.6642 7
3.6642 7
3.6642 7
4.2236 8
4.2236 8
4.2236 8
4.2071 9
4.2071 9
4.2071 9
14 H 2.172 2
0.8536 12
1.9626 12
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 5.621 11.241 0.064 205.52 8 15.5 24.5
2 1 1 0 6.349 12.698 0.072 160.59 4 87.9 308.9
3 0 0 2 6.774 13.549 0.077 140.77 2 59.3 61.6
4 1 0 2 8.136 16.272 0.092 96.91 8 5.8 1.6
5 2 0 0 8.997 17.994 0.102 78.85 4 40.8 32.7
6 1 1 2 9.305 18.61 0.105 73.58 8 26.3 25.3
7 2 0 1 9.621 19.243 0.108 68.67 8 10.0 3.4
8 2 1 0 10.07 20.139 0.113 62.51 8 13.6 5.8
9 2 1 1 10.633 21.267 0.12 55.83 16 48.7 132.1
10 1 0 3 11.154 22.308 0.126 50.55 8 36.4 33.3
11 2 0 2 11.296 22.593 0.127 49.23 8 20.9 10.7
12 2 1 2 12.176 24.352 0.137 42.08 16 13.8 8.0
13 2 2 0 12.777 25.555 0.144 38.03 4 224.8 478.4
14 0 0 4 13.646 27.292 0.153 33.09 2 209.4 180.7
15 2 0 3 13.659 27.318 0.153 33.02 8 6.7 0.7
16 3 0 1 13.998 27.995 0.157 31.35 8 37.7 22.2
17 3 1 0 14.316 28.632 0.161 29.88 8 156.9 366.6
18 1 0 4 14.391 28.782 0.161 29.55 8 3.9 0.2
19 2 1 3 14.404 28.808 0.161 29.5 16 65.3 125.4
20 2 2 2 14.516 29.033 0.163 29.01 8 231.6 774.9
21 3 1 1 14.726 29.453 0.165 28.13 16 6.8 1.3
22 1 1 4 15.103 30.205 0.169 26.65 8 212.2 597.7
23 3 0 2 15.223 30.445 0.17 26.21 8 13.9 2.5
24 3 1 2 15.9 31.801 0.178 23.86 16 181.2 780.6
25 3 2 0 16.375 32.751 0.183 22.39 8 6.3 0.4
26 2 0 4 16.442 32.884 0.184 22.19 8 129.5 185.3
27 3 2 1 16.74 33.48 0.187 21.34 16 98.7 207.3
28 2 1 4 17.076 34.153 0.191 20.44 16 14.9 4.5
29 3 0 3 17.087 34.175 0.191 20.41 8 28.2 8.1
30 3 1 3 17.701 35.403 0.197 18.9 16 11.9 2.6
31 1 0 5 17.764 35.527 0.198 18.75 8 70.3 46.1
32 3 2 2 17.795 35.59 0.198 18.68 16 12.1 2.7
33 4 0 0 18.226 36.453 0.203 17.72 4 25.5 2.9
34 4 0 1 18.559 37.118 0.207 17.03 8 2.3 0.0
35 4 1 0 18.808 37.616 0.209 16.54 8 0.3 0.0
36 2 2 4 18.867 37.734 0.21 16.43 8 62.9 32.4
37 4 1 1 19.132 38.264 0.213 15.93 16 48.8 37.8
38 3 3 0 19.375 38.749 0.215 15.49 4 57.7 12.8
39 3 0 4 19.432 38.865 0.216 15.39 8 6.8 0.4
40 3 2 3 19.442 38.884 0.216 15.37 16 56.9 49.5
41 2 0 5 19.5 38.999 0.217 15.27 8 12.8 1.2
42 4 0 2 19.529 39.057 0.217 15.22 8 74.6 42.2
43 3 1 4 19.984 39.968 0.222 14.46 16 100.7 146.2
44 2 1 5 20.05 40.1 0.223 14.36 16 52.5 39.4
45 4 1 2 20.078 40.156 0.223 14.31 16 14.4 3.0
46 4 2 0 20.468 40.937 0.227 13.71 8 14.7 1.5
47 3 3 2 20.615 41.231 0.229 13.49 8 59.0 23.4
48 0 0 6 20.725 41.45 0.23 13.33 2 89.2 13.2
49 4 2 1 20.771 41.541 0.23 13.27 16 10.6 1.5
50 4 0 3 21.06 42.121 0.233 12.86 8 22.4 3.2
51 1 0 6 21.249 42.497 0.235 12.61 8 1.3 0.0
52 3 2 4 21.569 43.137 0.239 12.19 16 7.8 0.7
53 4 1 3 21.578 43.155 0.239 12.18 16 104.7 132.9
54 4 2 2 21.657 43.314 0.24 12.08 16 58.8 41.6
55 1 1 6 21.762 43.524 0.241 11.95 8 55.0 18.0
56 3 0 5 22.137 44.274 0.245 11.5 8 77.8 34.6
57 3 1 5 22.634 45.269 0.25 10.94 16 8.1 0.7
58 2 0 6 22.761 45.523 0.251 10.8 8 6.5 0.2
59 4 3 0 23.015 46.029 0.254 10.53 8 3.7 0.1
60 4 0 4 23.065 46.13 0.254 10.48 8 119.7 74.8
61 4 2 3 23.073 46.146 0.254 10.47 16 13.4 1.9
62 2 1 6 23.248 46.497 0.256 10.3 16 17.0 3.0
63 4 3 1 23.29 46.58 0.257 10.25 16 42.3 18.3
64 5 0 1 23.29 46.58 0.257 10.25 8 84.9 36.8
65 5 1 0 23.497 46.995 0.259 10.05 8 86.4 37.4
66 4 1 4 23.547 47.094 0.259 10.0 16 15.9 2.5
67 5 1 1 23.769 47.538 0.262 9.79 16 12.3 1.5
68 3 3 4 24.021 48.043 0.264 9.56 8 93.2 41.4
69 3 2 5 24.078 48.156 0.265 9.51 16 99.6 94.0
70 4 3 2 24.103 48.205 0.265 9.49 16 9.5 0.9
71 5 0 2 24.103 48.205 0.265 9.49 8 5.7 0.2
72 5 1 2 24.569 49.138 0.27 9.08 16 88.9 71.5
73 2 2 6 24.665 49.329 0.271 9.0 8 119.6 64.1
74 1 0 7 24.847 49.694 0.273 8.85 8 1.3 0.0
75 5 2 0 24.903 49.806 0.273 8.81 8 21.1 1.9
76 4 2 4 24.95 49.901 0.274 8.77 16 109.5 104.7
77 3 0 6 25.123 50.247 0.276 8.63 8 8.3 0.3
78 5 2 1 25.163 50.326 0.276 8.6 16 42.8 15.7
79 4 3 3 25.413 50.826 0.279 8.41 16 59.6 29.8
80 5 0 3 25.413 50.826 0.279 8.41 8 90.4 34.2
81 4 0 5 25.46 50.919 0.279 8.38 8 14.9 0.9
82 3 1 6 25.576 51.152 0.28 8.29 16 79.5 52.1
83 5 1 3 25.862 51.724 0.283 8.08 16 6.4 0.3
84 4 1 5 25.908 51.816 0.284 8.05 16 32.5 8.4
85 5 2 2 25.931 51.863 0.284 8.03 16 7.8 0.5
86 2 0 7 26.199 52.398 0.287 7.85 8 2.3 0.0
87 4 4 0 26.252 52.505 0.287 7.81 4 256.4 127.9
88 2 1 7 26.638 53.277 0.291 7.56 16 77.5 45.2
89 3 2 6 26.901 53.803 0.294 7.39 16 16.5 2.0
90 5 3 0 27.125 54.251 0.296 7.25 8 119.9 51.9
91 4 3 4 27.17 54.34 0.296 7.22 16 15.6 1.7
92 5 0 4 27.17 54.34 0.296 7.22 8 12.4 0.6
93 5 2 3 27.177 54.355 0.296 7.22 16 10.7 0.8
94 4 2 5 27.222 54.444 0.297 7.19 16 8.7 0.5
95 4 4 2 27.244 54.489 0.297 7.18 8 29.4 3.1
96 5 3 1 27.37 54.741 0.298 7.1 16 10.0 0.7
97 5 1 4 27.599 55.198 0.301 6.97 16 25.3 4.5
98 6 0 0 27.98 55.959 0.305 6.76 4 47.7 3.8
99 5 3 2 28.096 56.192 0.306 6.69 16 22.5 3.4
100 0 0 8 28.154 56.308 0.306 6.66 2 182.3 27.6
101 4 0 6 28.183 56.366 0.307 6.65 8 55.3 10.1
102 6 0 1 28.22 56.439 0.307 6.63 8 7.5 0.2
103 3 0 7 28.35 56.699 0.308 6.56 8 11.9 0.5
104 6 1 0 28.4 56.801 0.309 6.53 8 5.9 0.1
105 1 0 8 28.573 57.146 0.31 6.44 8 22.2 1.6
106 4 1 6 28.602 57.204 0.311 6.43 16 21.7 3.0
107 6 1 1 28.638 57.276 0.311 6.41 16 68.4 29.8
108 3 1 7 28.767 57.533 0.312 6.35 16 5.3 0.2
109 5 2 4 28.86 57.72 0.313 6.3 16 8.5 0.5
110 6 0 2 28.931 57.863 0.314 6.26 8 87.6 23.9
111 1 1 8 28.988 57.976 0.315 6.24 8 73.2 16.7
112 3 3 6 29.017 58.033 0.315 6.22 8 107.3 35.7
113 5 3 3 29.279 58.559 0.317 6.1 16 6.9 0.3
114 4 3 5 29.322 58.644 0.318 6.08 16 54.3 17.8
115 5 0 5 29.322 58.644 0.318 6.08 8 71.2 15.3
116 6 1 2 29.343 58.686 0.318 6.07 16 10.1 0.6
117 6 2 0 29.639 59.278 0.321 5.93 8 119.3 42.0
118 5 1 5 29.73 59.461 0.322 5.89 16 10.7 0.7
119 2 0 8 29.807 59.614 0.323 5.86 8 161.7 76.2
120 4 2 6 29.835 59.671 0.323 5.85 16 76.0 33.7
121 6 2 1 29.87 59.741 0.323 5.83 16 14.7 1.3
122 3 2 7 29.996 59.992 0.325 5.78 16 62.5 22.5
123 5 4 0 30.045 60.09 0.325 5.75 8 8.6 0.2
124 4 4 4 30.087 60.173 0.325 5.74 8 132.8 50.4
125 6 0 3 30.094 60.187 0.325 5.73 8 2.0 0.0
126 2 1 8 30.212 60.423 0.327 5.68 16 7.3 0.3
127 5 4 1 30.274 60.549 0.327 5.66 16 82.3 38.1
128 6 1 3 30.496 60.992 0.329 5.57 16 60.1 20.0
129 6 2 2 30.558 61.116 0.33 5.54 16 62.2 21.3
130 5 3 4 30.888 61.776 0.333 5.41 16 78.0 32.8
131 5 2 5 30.936 61.872 0.334 5.39 16 35.3 6.7
132 5 4 2 30.957 61.913 0.334 5.38 16 7.9 0.3
133 4 0 7 31.195 62.391 0.336 5.29 8 3.2 0.0
134 2 2 8 31.406 62.812 0.338 5.22 8 21.0 1.1
135 4 1 7 31.589 63.179 0.34 5.15 16 54.0 14.9
136 6 3 0 31.637 63.274 0.34 5.13 8 16.0 0.7
137 6 0 4 31.677 63.355 0.341 5.12 8 103.2 27.1
138 6 2 3 31.684 63.368 0.341 5.12 16 11.3 0.7
139 3 0 8 31.799 63.597 0.342 5.08 8 27.2 1.9
140 4 3 6 31.826 63.652 0.342 5.07 16 16.8 1.4
141 5 0 6 31.826 63.652 0.342 5.07 8 14.3 0.5
142 6 3 1 31.86 63.719 0.343 5.05 16 42.6 9.2
143 6 1 4 32.068 64.136 0.345 4.98 16 7.1 0.2
144 5 4 3 32.075 64.15 0.345 4.98 16 65.1 21.1
145 3 1 8 32.188 64.377 0.346 4.94 16 22.2 2.4
146 5 1 6 32.215 64.431 0.346 4.93 16 92.9 42.4
147 1 0 9 32.449 64.898 0.348 4.86 8 28.6 2.0
148 6 3 2 32.523 65.046 0.349 4.83 16 6.1 0.2
149 4 2 7 32.755 65.511 0.351 4.76 16 15.6 1.2
150 5 3 5 32.888 65.776 0.352 4.72 16 5.8 0.2
151 6 2 4 33.225 66.45 0.356 4.62 16 140.3 90.5
152 3 2 8 33.343 66.686 0.357 4.58 16 17.5 1.4
153 5 2 6 33.37 66.739 0.357 4.58 16 16.2 1.2
154 7 0 1 33.403 66.805 0.357 4.57 8 57.4 7.5
155 5 5 0 33.567 67.134 0.359 4.52 4 66.8 5.0
156 7 1 0 33.567 67.134 0.359 4.52 8 12.2 0.3
157 2 0 9 33.599 67.198 0.359 4.51 8 5.7 0.1
158 5 4 4 33.606 67.212 0.359 4.51 16 5.8 0.2
159 6 3 3 33.613 67.225 0.359 4.51 16 73.5 24.3
160 6 0 5 33.652 67.304 0.36 4.49 8 5.4 0.1
161 7 1 1 33.783 67.565 0.361 4.46 16 9.4 0.4
162 2 1 9 33.978 67.956 0.363 4.4 16 29.0 3.7
163 6 1 5 34.03 68.061 0.363 4.39 16 100.3 44.0
164 7 0 2 34.05 68.1 0.363 4.39 8 8.5 0.2
165 6 4 0 34.323 68.646 0.366 4.31 8 70.2 10.6
166 5 5 2 34.427 68.853 0.367 4.29 8 67.5 9.7
167 7 1 2 34.427 68.853 0.367 4.29 16 33.7 4.8
168 4 0 8 34.478 68.956 0.367 4.27 8 159.1 53.9
169 4 4 6 34.504 69.008 0.368 4.27 8 36.6 2.8
170 6 4 1 34.537 69.073 0.368 4.26 16 11.5 0.6
171 4 3 7 34.653 69.306 0.369 4.23 16 56.0 13.2
172 5 0 7 34.653 69.306 0.369 4.23 8 13.2 0.4
173 7 2 0 34.698 69.396 0.37 4.22 8 8.7 0.2
174 4 1 8 34.853 69.705 0.371 4.18 16 26.9 3.0
175 7 2 1 34.911 69.822 0.371 4.17 16 114.4 54.3
176 5 1 7 35.026 70.053 0.373 4.14 16 4.9 0.1
177 6 3 4 35.11 70.22 0.373 4.12 16 15.3 1.0
178 7 0 3 35.116 70.233 0.373 4.12 8 38.5 3.0
179 6 2 5 35.155 70.31 0.374 4.11 16 11.7 0.6
180 6 4 2 35.174 70.348 0.374 4.1 16 39.1 6.2
181 3 3 8 35.225 70.45 0.374 4.09 8 67.7 9.3
182 5 3 6 35.251 70.502 0.375 4.09 16 46.0 8.6
183 3 0 9 35.475 70.949 0.377 4.03 8 81.0 13.2
184 7 1 3 35.488 70.976 0.377 4.03 16 0.7 0.0
185 5 4 5 35.526 71.052 0.377 4.02 16 48.5 9.4
186 7 2 2 35.545 71.091 0.377 4.02 16 12.0 0.6
187 3 1 9 35.844 71.689 0.38 3.95 16 6.4 0.2
188 4 2 8 35.965 71.931 0.381 3.93 16 120.3 56.6
189 6 0 6 35.991 71.982 0.381 3.92 8 84.4 13.9
190 5 2 7 36.137 72.274 0.383 3.89 16 70.5 19.2
191 0 0 10 36.143 72.286 0.383 3.89 2 29.6 0.4
192 6 4 3 36.226 72.452 0.384 3.87 16 4.1 0.1
193 6 1 6 36.359 72.717 0.385 3.84 16 20.0 1.5
194 1 0 10 36.51 73.02 0.386 3.81 8 17.6 0.6
195 7 3 0 36.548 73.097 0.387 3.81 8 98.8 18.5
196 7 0 4 36.586 73.172 0.387 3.8 8 10.3 0.2
197 7 2 3 36.592 73.185 0.387 3.8 16 40.6 6.2
198 7 3 1 36.756 73.513 0.388 3.77 16 12.0 0.5
199 1 1 10 36.875 73.751 0.39 3.74 8 77.0 11.0
200 3 2 9 36.945 73.89 0.39 3.73 16 38.7 5.6
201 5 5 4 36.951 73.903 0.39 3.73 8 60.4 6.8
202 7 1 4 36.951 73.903 0.39 3.73 16 30.9 3.5
203 6 3 5 36.995 73.991 0.391 3.72 16 76.3 21.6
204 7 3 2 37.378 74.756 0.394 3.65 16 59.2 12.7
205 6 2 6 37.453 74.906 0.395 3.64 16 61.1 13.5
206 2 0 10 37.603 75.205 0.396 3.61 8 17.4 0.5
207 6 5 0 37.641 75.281 0.396 3.6 8 7.1 0.1
208 6 4 4 37.678 75.356 0.397 3.6 16 124.3 55.3
209 4 3 8 37.79 75.58 0.398 3.58 16 7.2 0.2
210 5 0 8 37.79 75.58 0.398 3.58 8 26.1 1.2
211 5 4 6 37.815 75.63 0.398 3.57 16 11.7 0.5
212 6 5 1 37.847 75.693 0.398 3.57 16 46.4 7.7
213 5 3 7 37.958 75.917 0.399 3.55 16 3.2 0.0
214 2 1 10 37.964 75.929 0.399 3.55 16 18.7 1.2
215 4 0 9 38.033 76.066 0.4 3.54 8 0.2 0.0
216 7 2 4 38.04 76.079 0.4 3.54 16 13.5 0.6
217 5 1 8 38.151 76.302 0.401 3.52 16 49.1 8.5
218 4 1 9 38.393 76.787 0.403 3.48 16 53.4 9.9
219 7 3 3 38.406 76.812 0.403 3.48 16 3.7 0.0
220 7 0 5 38.443 76.887 0.404 3.47 8 10.2 0.2
221 6 5 2 38.462 76.924 0.404 3.47 16 8.4 0.2
222 6 0 7 38.679 77.357 0.406 3.44 8 3.5 0.0
223 8 0 0 38.722 77.444 0.406 3.43 4 65.0 3.6
224 7 1 5 38.802 77.605 0.407 3.42 16 4.2 0.1
225 8 0 1 38.926 77.852 0.408 3.4 8 4.6 0.0
226 6 1 7 39.037 78.074 0.409 3.38 16 31.5 3.3
227 2 2 10 39.043 78.086 0.409 3.38 8 103.8 18.2
228 7 4 0 39.081 78.161 0.409 3.38 8 4.1 0.0
229 8 1 0 39.081 78.161 0.409 3.38 8 7.3 0.1
230 5 2 8 39.228 78.457 0.411 3.36 16 14.3 0.7
231 6 3 6 39.253 78.506 0.411 3.35 16 2.2 0.0
232 7 4 1 39.284 78.568 0.411 3.35 16 76.1 19.3
233 8 1 1 39.284 78.568 0.411 3.35 16 58.0 11.2
234 3 0 10 39.401 78.801 0.412 3.33 8 6.3 0.1
235 4 2 9 39.468 78.937 0.413 3.32 16 6.9 0.2
236 6 5 3 39.481 78.962 0.413 3.32 16 77.1 19.7
237 6 4 5 39.518 79.036 0.413 3.32 16 11.0 0.4
238 8 0 2 39.536 79.073 0.413 3.31 8 27.4 1.2
239 3 1 10 39.757 79.515 0.415 3.29 16 72.8 17.3
240 7 3 4 39.831 79.663 0.416 3.28 16 47.2 7.3
241 7 2 5 39.874 79.749 0.416 3.27 16 19.6 1.2
242 7 4 2 39.893 79.786 0.416 3.27 16 9.8 0.3
243 8 1 2 39.893 79.786 0.416 3.27 16 4.4 0.1
244 6 2 7 40.107 80.215 0.418 3.24 16 5.5 0.1
245 8 2 0 40.15 80.301 0.419 3.24 8 64.6 6.7
246 4 4 8 40.297 80.594 0.42 3.22 8 52.7 4.5
247 8 2 1 40.353 80.705 0.42 3.21 16 9.1 0.3
248 5 4 7 40.462 80.925 0.421 3.2 16 40.7 5.3
249 8 0 3 40.548 81.096 0.422 3.19 8 17.3 0.5
250 7 0 6 40.676 81.353 0.423 3.17 8 21.1 0.7
251 1 0 11 40.804 81.608 0.424 3.16 8 12.3 0.2
252 3 2 10 40.823 81.645 0.424 3.16 16 21.9 1.5
253 6 5 4 40.896 81.793 0.425 3.15 16 8.2 0.2
254 7 4 3 40.902 81.805 0.425 3.15 16 47.5 7.1
255 8 1 3 40.902 81.805 0.425 3.15 16 98.6 30.5
256 8 2 2 40.957 81.915 0.425 3.14 16 33.5 3.5
257 5 3 8 41.006 82.012 0.426 3.14 16 102.4 32.8
258 5 5 6 41.03 82.061 0.426 3.13 8 27.2 1.2
259 7 1 6 41.03 82.061 0.426 3.13 16 78.5 19.2
260 4 3 9 41.244 82.487 0.428 3.11 16 54.8 9.3
261 5 0 9 41.244 82.487 0.428 3.11 8 45.3 3.2
262 6 6 0 41.567 83.133 0.431 3.08 4 62.4 3.0
263 5 1 9 41.597 83.193 0.431 3.08 16 10.3 0.3
264 7 3 5 41.646 83.291 0.431 3.07 16 1.5 0.0
265 6 0 8 41.712 83.424 0.432 3.07 8 97.7 14.6
266 6 4 6 41.737 83.473 0.432 3.06 16 15.0 0.7
267 2 0 11 41.864 83.728 0.433 3.05 8 4.1 0.0
268 6 3 7 41.876 83.753 0.433 3.05 16 15.1 0.7
269 4 0 10 41.882 83.764 0.433 3.05 8 67.5 6.9
270 8 3 0 41.919 83.838 0.434 3.05 8 11.4 0.2
271 8 0 4 41.956 83.911 0.434 3.04 8 44.0 2.9
272 8 2 3 41.962 83.923 0.434 3.04 16 3.7 0.0
273 6 1 8 42.065 84.129 0.435 3.03 16 13.5 0.5
274 7 2 6 42.089 84.178 0.435 3.03 16 15.4 0.7
275 8 3 1 42.12 84.239 0.435 3.03 16 59.3 10.6
276 2 1 11 42.216 84.432 0.436 3.02 16 23.7 1.7
277 4 1 10 42.234 84.469 0.436 3.02 16 1.1 0.0
278 7 5 0 42.271 84.543 0.437 3.01 8 7.1 0.1
279 7 4 4 42.308 84.615 0.437 3.01 16 9.6 0.3
280 8 1 4 42.308 84.615 0.437 3.01 16 4.2 0.1
281 6 6 2 42.368 84.737 0.437 3.01 8 80.0 9.6
282 7 5 1 42.471 84.943 0.438 3.0 16 3.9 0.0
283 3 3 10 42.586 85.172 0.439 2.99 8 85.4 10.9
284 5 2 9 42.653 85.306 0.44 2.98 16 51.5 7.9
285 6 5 5 42.702 85.403 0.44 2.98 16 29.4 2.6
286 8 3 2 42.72 85.44 0.44 2.98 16 3.2 0.0
287 7 5 2 43.071 86.142 0.443 2.95 16 101.0 30.0
288 6 2 8 43.119 86.239 0.444 2.94 16 60.0 10.5
289 7 0 7 43.283 86.566 0.445 2.93 8 62.2 5.7
290 4 2 10 43.289 86.577 0.445 2.93 16 51.0 7.6
291 8 2 4 43.362 86.723 0.446 2.93 16 92.9 25.2
292 5 4 8 43.47 86.941 0.447 2.92 16 6.3 0.1
293 3 0 11 43.621 87.242 0.448 2.91 8 6.1 0.1
294 7 1 7 43.634 87.267 0.448 2.91 16 13.1 0.5
295 8 3 3 43.719 87.437 0.449 2.9 16 42.8 5.3
296 8 0 5 43.755 87.509 0.449 2.9 8 7.0 0.1
297 7 3 6 43.845 87.691 0.45 2.89 16 29.2 2.5
298 3 1 11 43.972 87.944 0.451 2.89 16 9.8 0.3
299 7 5 3 44.069 88.138 0.451 2.88 16 6.9 0.1
300 7 4 5 44.105 88.211 0.452 2.88 16 59.0 10.0
301 8 1 5 44.105 88.211 0.452 2.88 16 60.1 10.4
302 6 4 7 44.335 88.669 0.454 2.86 16 14.2 0.6
303 8 4 0 44.377 88.755 0.454 2.86 8 32.8 1.5
304 5 3 9 44.407 88.814 0.454 2.86 16 13.1 0.5
305 8 4 1 44.577 89.153 0.456 2.85 16 8.3 0.2
306 7 2 7 44.685 89.37 0.456 2.84 16 80.7 18.4
307 6 6 4 44.764 89.528 0.457 2.84 8 64.6 5.9
308 6 3 8 44.872 89.745 0.458 2.83 16 13.6 0.5
309 6 5 6 44.897 89.793 0.458 2.83 16 6.1 0.1
310 9 0 1 44.927 89.854 0.458 2.83 8 89.7 11.4
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 0 1 5.621 11.241 7.86458 24.5 3.1 3.2 5.6
2 1 1 0 6.349 12.698 6.96571 308.9 39.6 40.1 5.6
3 0 0 2 6.774 13.549 6.53 61.6 7.9 8.0 5.6
4 2 0 0 8.997 17.994 4.9255 32.7 4.2 4.2 5.6
5 1 1 2 9.305 18.61 4.764 25.3 3.2 3.3 5.6
6 2 1 1 10.633 21.267 4.1744 132.1 16.9 17.1 5.6
7 1 0 3 11.154 22.308 3.98185 33.3 4.3 4.3 5.6
8 2 0 2 11.296 22.593 3.93229 10.7 1.4 1.4 5.6
9 2 1 2 12.176 24.352 3.65208 8.0 1.0 1.0 5.6
10 2 2 0 12.777 25.555 3.48285 478.4 61.3 61.6 5.6
11 0 0 4 13.646 27.292 3.265 181.4 23.2 23.3 5.6
12 3 0 1 13.998 27.995 3.18455 22.2 2.8 2.8 5.6
13 3 1 0 14.316 28.632 3.11516 366.6 47.0 47.1 5.6
14 2 1 3 14.404 28.808 3.09655 125.4 16.1 16.1 5.6
15 2 2 2 14.516 29.033 3.07307 774.9 99.3 99.5 5.6
16 1 1 4 15.103 30.205 2.95635 597.7 76.6 76.7 5.6
17 3 1 2 15.9 31.801 2.81161 780.6 100.0 100.0 5.6
18 2 0 4 16.442 32.884 2.72139 185.3 23.7 23.7 5.6
19 3 2 1 16.74 33.48 2.67428 207.3 26.6 26.5 5.7
20 3 0 3 17.087 34.175 2.62153 12.6 1.6 1.6 5.7
21 1 0 5 17.764 35.527 2.52476 46.1 5.9 5.9 5.7
22 2 2 4 18.867 37.734 2.382 32.4 4.1 4.1 5.7
23 4 1 1 19.132 38.264 2.35021 37.8 4.8 4.8 5.7
24 3 3 0 19.375 38.749 2.3219 12.8 1.6 1.6 5.7
25 3 2 3 19.442 38.884 2.31417 49.5 6.3 6.3 5.7
26 4 0 2 19.529 39.057 2.30432 42.2 5.4 5.4 5.7
27 3 1 4 19.984 39.968 2.25386 146.2 18.7 18.6 5.7
28 2 1 5 20.05 40.1 2.24678 42.4 5.4 5.4 5.7
29 3 3 2 20.615 41.231 2.18772 23.4 3.0 3.0 5.7
30 0 0 6 20.725 41.45 2.17667 13.2 1.7 1.7 5.7
31 4 1 3 21.578 43.155 2.09451 132.9 17.0 16.8 5.7
32 4 2 2 21.657 43.314 2.0872 41.6 5.3 5.3 5.7
33 1 1 6 21.762 43.524 2.07759 18.0 2.3 2.3 5.7
34 3 0 5 22.137 44.274 2.04416 34.6 4.4 4.4 5.7
35 4 0 4 23.065 46.13 1.96615 76.7 9.8 9.7 5.7
36 5 0 1 23.29 46.58 1.94816 55.1 7.1 7.0 5.7
37 5 1 0 23.497 46.995 1.93194 37.4 4.8 4.7 5.7
38 3 3 4 24.021 48.043 1.89221 41.4 5.3 5.2 5.7
39 3 2 5 24.078 48.156 1.88802 95.0 12.2 12.0 5.7
40 5 1 2 24.569 49.138 1.85256 71.5 9.2 9.0 5.7
41 2 2 6 24.665 49.329 1.84584 64.1 8.2 8.1 5.7
42 4 2 4 24.95 49.901 1.82604 104.7 13.4 13.2 5.7
43 5 2 1 25.163 50.326 1.8116 15.7 2.0 2.0 5.8
44 5 0 3 25.413 50.826 1.79494 64.0 8.2 8.0 5.8
45 3 1 6 25.576 51.152 1.78426 52.1 6.7 6.5 5.8
46 4 1 5 25.908 51.816 1.76294 8.9 1.1 1.1 5.8
47 4 4 0 26.252 52.505 1.74143 127.9 16.4 16.0 5.8
48 2 1 7 26.638 53.277 1.718 45.2 5.8 5.7 5.8
49 5 3 0 27.125 54.251 1.68943 51.9 6.7 6.5 5.8
50 0 0 8 28.154 56.308 1.6325 27.6 3.5 3.4 5.8
51 4 0 6 28.183 56.366 1.63095 10.1 1.3 1.3 5.8
52 6 1 1 28.638 57.276 1.60718 29.8 3.8 3.7 5.8
53 6 0 2 28.931 57.863 1.59228 23.9 3.1 3.0 5.8
54 3 3 6 29.017 58.033 1.588 52.4 6.7 6.5 5.8
55 4 3 5 29.322 58.644 1.57292 33.8 4.3 4.2 5.8
56 6 2 0 29.639 59.278 1.55758 42.0 5.4 5.2 5.8
57 2 0 8 29.807 59.614 1.5496 109.9 14.1 13.6 5.8
58 3 2 7 29.996 59.992 1.54075 22.5 2.9 2.8 5.8
59 4 4 4 30.087 60.173 1.53654 50.4 6.5 6.3 5.8
60 5 4 1 30.274 60.549 1.5279 38.1 4.9 4.7 5.8
61 6 1 3 30.496 60.992 1.51787 20.0 2.6 2.5 5.8
62 6 2 2 30.558 61.116 1.51508 21.3 2.7 2.6 5.8
63 5 3 4 30.888 61.776 1.50046 32.8 4.2 4.1 5.8
64 4 1 7 31.589 63.179 1.47049 14.9 1.9 1.8 5.9
65 6 0 4 31.677 63.355 1.46682 27.8 3.6 3.4 5.9
66 6 3 1 31.86 63.719 1.4593 9.2 1.2 1.1 5.9
67 5 4 3 32.075 64.15 1.45055 21.1 2.7 2.6 5.9
68 5 1 6 32.215 64.431 1.4449 44.9 5.7 5.5 5.9
69 6 2 4 33.225 66.45 1.40581 90.5 11.6 11.1 5.9
70 6 3 3 33.613 67.225 1.39147 24.3 3.1 3.0 5.9
71 6 1 5 34.03 68.061 1.3764 44.1 5.7 5.4 5.9
72 6 4 0 34.323 68.646 1.36609 10.6 1.4 1.3 5.9
73 5 5 2 34.427 68.853 1.36248 14.6 1.9 1.8 5.9
74 4 0 8 34.478 68.956 1.3607 56.7 7.3 6.9 5.9
75 4 3 7 34.653 69.306 1.35469 13.6 1.7 1.7 5.9
76 7 2 1 34.911 69.822 1.34593 54.3 7.0 6.6 5.9
77 3 3 8 35.225 70.45 1.33546 17.9 2.3 2.2 5.9
78 3 0 9 35.475 70.949 1.32728 13.2 1.7 1.6 5.9
79 5 4 5 35.526 71.052 1.32561 10.0 1.3 1.2 5.9
80 4 2 8 35.965 71.931 1.31157 70.5 9.0 8.6 5.9
81 5 2 7 36.137 72.274 1.30619 19.7 2.5 2.4 5.9
82 7 3 0 36.548 73.097 1.2935 18.5 2.4 2.2 6.0
83 1 1 10 36.875 73.751 1.28363 11.0 1.4 1.3 6.0
84 5 5 4 36.951 73.903 1.28137 15.9 2.0 1.9 6.0
85 6 3 5 36.995 73.991 1.28007 21.6 2.8 2.6 6.0
86 7 3 2 37.378 74.756 1.26885 12.7 1.6 1.5 6.0
87 6 2 6 37.453 74.906 1.26668 13.5 1.7 1.6 6.0
88 6 4 4 37.678 75.356 1.26023 55.3 7.1 6.7 6.0
89 5 1 8 38.151 76.302 1.24693 8.5 1.1 1.0 6.0
90 4 1 9 38.393 76.787 1.24027 9.9 1.3 1.2 6.0
91 2 2 10 39.043 78.086 1.22285 21.5 2.8 2.6 6.0
92 7 4 1 39.284 78.568 1.21655 30.6 3.9 3.7 6.0
93 6 5 3 39.481 78.962 1.21147 19.7 2.5 2.4 6.0
94 3 1 10 39.757 79.515 1.20444 17.3 2.2 2.1 6.0
95 8 1 3 40.902 81.805 1.17641 37.6 4.8 4.5 6.1
96 5 3 8 41.006 82.012 1.17396 53.1 6.8 6.3 6.1
97 4 3 9 41.244 82.487 1.1684 12.5 1.6 1.5 6.1
98 6 0 8 41.712 83.424 1.15764 15.3 2.0 1.8 6.1
99 8 3 1 42.12 84.239 1.14851 10.6 1.4 1.3 6.1
100 6 6 2 42.368 84.737 1.14303 9.6 1.2 1.1 6.1
101 3 3 10 42.586 85.172 1.13829 10.9 1.4 1.3 6.1
102 5 2 9 42.653 85.306 1.13685 7.9 1.0 0.9 6.1
103 7 5 2 43.071 86.142 1.12794 30.0 3.8 3.5 6.1
104 6 2 8 43.119 86.239 1.12693 10.5 1.4 1.2 6.1
105 4 2 10 43.289 86.577 1.12339 13.3 1.7 1.6 6.1
106 8 2 4 43.362 86.723 1.12187 25.2 3.2 3.0 6.1
107 8 1 5 44.105 88.211 1.10676 20.3 2.6 2.4 6.2
108 7 2 7 44.685 89.37 1.09538 18.4 2.4 2.2 6.2
109 9 0 1 44.927 89.854 1.09073 11.4 1.5 1.3 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)
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