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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KAOLINITE
4, at 1.5' K, f-kaolinite-halloysite, sf-kaolinite
Al(2)Si(2)O(5)(OH)(4)
Triclinic C 1 Z = 2
R =0.0178
3 .6 .1998
Ref.Str.:
Bish D.L. (1993)
* Clas & Clay Minerals, 41, 738-744
Reserv:
Neutron powder diffraction data. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.1535 alpha = 91.93
b = 8.9419 beta = 105.04
c = 7.3906 gamma = 89.8
Unit cell volume (cub. angs.) = 328.71
Molar volume ( cub.cm/mol.) = 99.0
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.049 0.3482 0.3168 0.04 O = 1.00
2 0.113 0.6599 0.3188 0.04 O = 1.00
3 0.0 0.5 0.0 0.04 O = 1.00
4 0.204 0.2291 0.03 0.04 O = 1.00
5 0.197 0.7641 0.001 0.04 O = 1.00
6 0.05 0.971 0.325 0.04 OH = 1.00
7 0.96 0.1658 0.607 0.04 OH = 1.00
8 0.037 0.4726 0.6046 0.04 OH = 1.00
9 0.038 0.8592 0.609 0.04 OH = 1.00
10 0.289 0.4966 0.466 0.04 Al = 1.00
11 0.793 0.3288 0.465 0.04 Al = 1.00
12 0.989 0.3395 0.0906 0.04 Si = 1.00
13 0.507 0.1665 0.0938 0.04 Si = 1.00
14 0.145 0.0651 0.326 0.07 H = 1.00
15 0.063 0.1638 0.739 0.05 H = 1.00
16 0.036 0.5057 0.732 0.06 H = 1.00
17 0.534 0.3154 0.728 0.05 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.049 0.3482 0.3168
2 2 0.113 0.6599 0.3188
3 3 0.0 0.5 0.0
4 4 0.204 0.2291 0.03
5 5 0.197 0.7641 0.001
6 6 0.05 0.971 0.325
7 7 0.96 0.1658 0.607
8 8 0.037 0.4726 0.6046
9 9 0.038 0.8592 0.609
10 10 0.289 0.4966 0.466
11 11 0.793 0.3288 0.465
12 12 0.989 0.3395 0.0906
13 13 0.507 0.1665 0.0938
14 14 0.145 0.0651 0.326
15 15 0.063 0.1638 0.739
16 16 0.036 0.5057 0.732
17 17 0.534 0.3154 0.728
18 1 0.549 0.8482 0.3168
19 2 0.613 0.1599 0.3188
20 3 0.5 0.0 0.0
21 4 0.704 0.7291 0.03
22 5 0.697 0.2641 0.001
23 6 0.55 0.471 0.325
24 7 0.46 0.6658 0.607
25 8 0.537 0.9726 0.6046
26 9 0.538 0.3592 0.609
27 10 0.789 0.9966 0.466
28 11 0.293 0.8288 0.465
29 12 0.489 0.8395 0.0906
30 13 0.007 0.6665 0.0938
31 14 0.645 0.5651 0.326
32 15 0.563 0.6638 0.739
33 16 0.536 0.0057 0.732
34 17 0.034 0.8154 0.728
X-ray density (g/cm cub.) = 2.65
MU (1/cm) = 78.08 Mass attenuation coefficient (cm**2/g) = 29.485
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 O 3.312 10
2.8069 2
2.7004 3
2.6432 4
2.8673 7
2.382 8
2.816 2
2.6452 5
2.7946 6
2.8069 6
2.8611 9
2 O 3.312 10
2.8069 1
2.6461 3
2.6926 5
2.7998 6
2.8446 8
2.845 9
2.816 1
2.6693 4
2.8021 6
2.3986 7
3 O 3.312 8
2.7004 1
2.6461 2
2.6305 4
2.5729 5
2.9794 8
2.5876 4
2.6303 5
3.2207 6
4 O 3.312 8
2.6432 1
2.6305 3
3.0855 7
2.6693 2
2.5876 3
2.6252 5
2.5843 5
3.2099 6
5 O 3.312 8
2.6926 2
2.5729 3
3.2194 6
2.9523 9
2.6452 1
2.6303 3
2.5843 4
2.6252 4
6 OH 3.36 10
2.7998 2
3.2194 5
2.8009 7
2.3702 9
2.8069 1
2.7946 1
2.8021 2
3.2207 3
3.2099 4
2.8062 8
7 OH 3.36 8
2.8673 1
3.0855 4
2.8009 6
2.7746 8
2.7695 9
2.3986 2
2.7824 8
2.7765 9
8 OH 3.36 8
2.382 1
2.8446 2
2.9794 3
2.7746 7
2.8062 6
2.7824 7
2.7633 9
2.7761 9
9 OH 3.36 8
2.845 2
2.9523 5
2.3702 6
2.7695 7
2.8611 1
2.7765 7
2.7761 8
2.7633 8
10 Al 2.364 6
1.9266 1
1.9296 2
1.868 8
1.9123 6
1.8916 7
1.9092 9
11 Al 2.364 6
1.9326 1
1.8951 7
1.8836 8
1.9206 2
1.9131 6
1.9072 9
12 Si 2.148 4
1.6185 1
1.6113 3
1.6196 4
1.6178 5
13 Si 2.148 4
1.6135 4
1.613 2
1.6176 3
1.608 5
14 H 1.68 1
0.9738 6
15 H 1.68 1
0.9829 7
16 H 1.68 1
0.9787 8
17 H 1.68 1
0.9798 9
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 0 0 1 6.199 12.398 0.07 168.55 2 53.6 895.4
2 0 2 0 9.927 19.853 0.112 64.38 2 35.1 147.2
3 -1 1 0 10.181 20.361 0.115 61.11 2 65.9 491.2
4 1 1 0 10.228 20.455 0.115 60.52 2 6.3 4.4
5 -1 -1 1 10.607 21.213 0.119 56.13 2 65.2 441.1
6 -1 1 1 10.76 21.52 0.121 54.48 2 46.5 218.5
7 0 -2 1 11.554 23.108 0.13 46.97 2 60.9 322.1
8 0 2 1 11.917 23.833 0.134 44.03 2 43.0 150.5
9 0 0 2 12.473 24.945 0.14 40.01 2 82.2 500.5
10 1 -1 1 13.045 26.091 0.147 36.4 2 15.9 17.0
11 1 1 1 13.245 26.491 0.149 35.25 2 53.3 185.2
12 -1 -1 2 14.125 28.25 0.158 30.75 2 27.6 43.4
13 -1 1 2 14.393 28.786 0.161 29.54 2 31.2 53.4
14 0 -2 2 15.768 31.535 0.176 24.3 2 12.2 6.7
15 0 2 2 16.311 32.623 0.182 22.58 2 42.8 76.5
16 -2 0 1 17.47 34.94 0.195 19.45 2 41.3 61.3
17 -1 3 0 17.496 34.993 0.195 19.39 2 45.9 75.6
18 1 3 0 17.582 35.164 0.196 19.18 2 43.4 66.9
19 -1 -3 1 17.691 35.381 0.197 18.92 2 53.5 100.3
20 1 -1 2 17.852 35.704 0.199 18.55 2 38.8 51.7
21 -1 3 1 17.978 35.955 0.2 18.27 2 57.2 110.6
22 2 0 0 18.032 36.064 0.201 18.15 2 58.4 114.5
23 1 1 2 18.126 36.252 0.202 17.94 2 28.3 26.6
24 0 0 3 18.902 37.805 0.21 16.36 2 53.9 88.1
25 -2 0 2 19.163 38.326 0.213 15.87 2 86.3 219.0
26 -1 -1 3 19.237 38.473 0.214 15.74 2 24.8 18.0
27 1 -3 1 19.263 38.526 0.214 15.69 2 86.2 215.8
28 -1 1 3 19.556 39.113 0.217 15.17 2 29.7 24.8
29 1 3 1 19.686 39.372 0.219 14.95 2 99.0 271.1
30 -1 -3 2 19.98 39.96 0.222 14.47 2 30.1 24.3
31 0 4 0 20.168 40.336 0.224 14.17 2 8.7 2.0
32 -2 -2 1 20.193 40.387 0.224 14.13 2 3.6 0.3
33 -2 2 1 20.315 40.629 0.225 13.94 2 20.4 10.7
34 -1 3 2 20.571 41.142 0.228 13.56 2 28.1 19.8
35 2 0 1 20.691 41.381 0.229 13.38 2 26.7 17.6
36 -2 2 0 20.702 41.404 0.229 13.37 2 14.6 5.3
37 2 2 0 20.801 41.602 0.231 13.23 2 11.7 3.4
38 0 -4 1 20.964 41.928 0.232 13.0 2 10.7 2.8
39 0 -2 3 21.209 42.419 0.235 12.66 2 29.1 19.9
40 0 4 1 21.393 42.785 0.237 12.42 2 16.3 6.1
41 -2 -2 2 21.601 43.201 0.239 12.15 2 7.7 1.3
42 0 2 3 21.844 43.688 0.242 11.85 2 13.9 4.3
43 -2 2 2 21.925 43.849 0.242 11.75 2 24.4 12.9
44 -2 0 3 22.682 45.364 0.25 10.89 2 64.7 84.3
45 1 -3 2 22.835 45.67 0.252 10.72 2 64.5 82.6
46 2 -2 1 23.004 46.008 0.254 10.55 2 17.9 6.3
47 2 2 1 23.295 46.589 0.257 10.25 2 41.9 33.3
48 1 3 2 23.502 47.004 0.259 10.05 2 54.0 54.2
49 1 -1 3 23.604 47.208 0.26 9.95 2 9.4 1.6
50 0 -4 2 23.615 47.23 0.26 9.94 2 38.0 26.5
51 1 1 3 23.92 47.84 0.263 9.65 2 14.9 4.0
52 -1 -3 3 23.927 47.854 0.263 9.65 2 44.8 35.9
53 0 4 2 24.392 48.784 0.268 9.23 2 43.9 33.0
54 -1 3 3 24.727 49.454 0.272 8.95 2 42.3 29.6
55 -2 -2 3 24.745 49.49 0.272 8.94 2 47.7 37.6
56 2 0 2 24.893 49.786 0.273 8.82 2 40.1 26.3
57 -1 -1 4 25.169 50.338 0.276 8.6 2 27.3 11.8
58 -2 2 3 25.225 50.45 0.277 8.55 2 18.8 5.6
59 -1 1 4 25.521 51.042 0.28 8.33 2 0.5 0.0
60 0 0 4 25.591 51.182 0.28 8.28 2 43.9 29.6
61 2 -2 2 26.836 53.672 0.293 7.43 2 44.3 27.0
62 -2 -4 1 27.107 54.214 0.296 7.26 2 37.9 19.3
63 -3 -1 1 27.166 54.332 0.296 7.23 2 16.0 3.4
64 -3 1 1 27.194 54.388 0.297 7.21 2 26.7 9.5
65 -1 5 0 27.202 54.404 0.297 7.2 2 6.3 0.5
66 2 2 2 27.274 54.547 0.297 7.16 2 3.5 0.2
67 -1 -5 1 27.291 54.582 0.298 7.15 2 24.6 8.0
68 -2 4 1 27.301 54.601 0.298 7.14 2 20.3 5.4
69 1 5 0 27.303 54.606 0.298 7.14 2 41.3 22.6
70 0 -2 4 27.363 54.725 0.298 7.11 2 19.6 5.1
71 -2 0 4 27.483 54.966 0.3 7.04 2 78.1 79.4
72 -2 4 0 27.523 55.046 0.3 7.01 2 55.7 40.2
73 -1 5 1 27.632 55.264 0.301 6.95 2 26.8 9.3
74 1 -3 3 27.674 55.347 0.301 6.93 2 79.4 80.8
75 2 4 0 27.683 55.366 0.302 6.92 2 30.2 11.7
76 0 -4 3 27.712 55.424 0.302 6.91 2 29.3 11.0
77 -3 -1 2 27.748 55.497 0.302 6.89 2 37.9 18.3
78 -3 1 2 27.864 55.727 0.303 6.82 2 54.2 37.1
79 0 2 4 28.064 56.128 0.305 6.71 2 24.7 7.6
80 -3 1 0 28.151 56.303 0.306 6.66 2 33.5 13.8
81 -2 -4 2 28.16 56.32 0.306 6.66 2 25.4 8.0
82 3 1 0 28.21 56.421 0.307 6.63 2 21.9 5.9
83 1 -5 1 28.396 56.792 0.309 6.53 2 48.5 28.5
84 1 3 3 28.515 57.03 0.31 6.47 2 80.3 77.3
85 -2 4 2 28.693 57.386 0.312 6.38 2 35.4 14.8
86 0 4 3 28.752 57.504 0.312 6.35 2 21.7 5.5
87 -1 -5 2 28.888 57.776 0.314 6.29 2 24.6 7.0
88 1 5 1 28.922 57.844 0.314 6.27 2 14.6 2.5
89 -1 -3 4 29.034 58.069 0.315 6.21 2 60.7 42.3
90 -2 -2 4 29.214 58.429 0.317 6.13 2 11.8 1.6
91 2 -4 1 29.336 58.673 0.318 6.07 2 25.4 7.2
92 -1 5 2 29.639 59.277 0.321 5.93 2 19.4 4.1
93 -2 2 4 29.812 59.623 0.323 5.86 2 56.4 34.5
94 2 4 1 29.826 59.651 0.323 5.85 2 30.2 9.9
95 -3 -1 3 29.895 59.79 0.324 5.82 2 35.8 13.8
96 -1 3 4 29.988 59.975 0.324 5.78 2 50.1 26.8
97 1 -1 4 30.0 60.001 0.325 5.77 2 11.0 1.3
98 -3 1 3 30.088 60.176 0.325 5.74 2 15.4 2.5
99 2 0 3 30.187 60.375 0.326 5.69 2 57.2 34.4
100 1 1 4 30.352 60.703 0.328 5.63 2 25.6 6.8
101 3 -1 1 30.635 61.27 0.331 5.51 2 32.5 10.8
102 -2 -4 3 30.733 61.465 0.332 5.47 2 24.8 6.2
103 3 1 1 30.773 61.547 0.332 5.46 2 18.4 3.4
104 1 -5 2 31.091 62.182 0.335 5.33 2 18.8 3.5
105 0 6 0 31.142 62.283 0.336 5.31 2 91.1 81.7
106 -3 -3 1 31.144 62.288 0.336 5.31 2 92.5 84.2
107 -3 3 1 31.222 62.444 0.336 5.28 2 92.3 83.4
108 -2 4 3 31.563 63.126 0.34 5.16 2 30.4 8.8
109 -3 -3 2 31.599 63.198 0.34 5.15 2 37.0 13.0
110 0 -6 1 31.649 63.299 0.341 5.13 2 30.9 9.1
111 -1 -1 5 31.725 63.45 0.341 5.1 2 7.1 0.5
112 2 -2 3 31.833 63.666 0.342 5.06 2 39.6 14.7
113 -3 3 2 31.918 63.836 0.343 5.03 2 46.9 20.5
114 -1 -5 3 31.939 63.879 0.343 5.03 2 23.5 5.2
115 1 5 2 31.993 63.986 0.344 5.01 2 40.3 15.0
116 -3 3 0 32.023 64.045 0.344 5.0 2 34.5 11.0
117 -1 1 5 32.109 64.218 0.345 4.97 2 13.2 1.6
118 0 6 1 32.132 64.265 0.345 4.96 2 44.6 18.3
119 3 3 0 32.187 64.374 0.346 4.94 2 37.3 12.8
120 2 2 3 32.387 64.774 0.348 4.88 2 61.7 34.3
121 2 -4 2 32.574 65.147 0.349 4.82 2 30.7 8.4
122 0 0 5 32.679 65.357 0.35 4.78 2 38.7 13.3
123 0 -4 4 32.92 65.84 0.353 4.71 2 44.3 17.1
124 -1 5 3 33.044 66.088 0.354 4.67 2 13.3 1.5
125 -2 0 5 33.246 66.492 0.356 4.61 2 42.7 15.6
126 2 4 2 33.35 66.7 0.357 4.58 2 33.4 9.4
127 -3 -1 4 33.422 66.843 0.358 4.56 2 18.4 2.9
128 1 -3 4 33.467 66.935 0.358 4.55 2 37.2 11.7
129 -3 -3 3 33.518 67.036 0.358 4.53 2 39.8 13.3
130 0 -6 2 33.618 67.236 0.359 4.5 2 40.5 13.7
131 -3 1 4 33.682 67.363 0.36 4.49 2 32.9 9.0
132 -3 3 3 34.061 68.123 0.364 4.38 2 29.3 7.0
133 0 -2 5 34.138 68.277 0.364 4.36 2 10.8 0.9
134 0 4 4 34.174 68.349 0.365 4.35 2 59.9 28.9
135 3 -3 1 34.264 68.528 0.365 4.33 2 34.1 9.3
136 3 -1 2 34.453 68.906 0.367 4.28 2 18.4 2.7
137 1 3 4 34.456 68.911 0.367 4.28 2 43.0 14.7
138 0 6 2 34.551 69.103 0.368 4.25 2 24.5 4.7
139 -2 -4 4 34.628 69.256 0.369 4.24 2 23.2 4.2
140 3 3 1 34.654 69.309 0.369 4.23 2 26.8 5.6
141 3 1 2 34.66 69.32 0.369 4.23 2 18.8 2.8
142 -2 -2 5 34.729 69.458 0.37 4.21 2 51.1 20.4
143 0 2 5 34.912 69.823 0.371 4.17 2 19.5 2.9
144 -1 -3 5 35.057 70.114 0.373 4.13 2 104.1 82.9
145 1 -5 3 35.092 70.184 0.373 4.12 2 22.1 3.7
146 -2 2 5 35.427 70.854 0.376 4.05 2 4.6 0.2
147 -2 4 4 35.715 71.431 0.379 3.98 2 15.3 1.7
148 -1 3 5 36.149 72.299 0.383 3.89 2 97.4 68.3
149 -1 -5 4 36.251 72.502 0.384 3.87 2 9.2 0.6
150 1 5 3 36.321 72.643 0.384 3.85 2 14.6 1.5
151 2 0 4 36.38 72.761 0.385 3.84 2 95.7 65.1
152 -2 -6 1 36.602 73.204 0.387 3.8 2 57.6 23.3
153 -3 -3 4 36.788 73.576 0.389 3.76 2 32.6 7.4
154 -2 6 1 36.848 73.697 0.389 3.75 2 54.5 20.6
155 -4 0 1 36.884 73.768 0.39 3.74 2 61.8 26.4
156 -4 0 2 36.9 73.8 0.39 3.74 2 37.8 9.9
157 0 -6 3 36.933 73.866 0.39 3.73 2 30.1 6.3
158 -2 6 0 36.963 73.925 0.39 3.73 2 40.6 11.4
159 2 -4 3 37.049 74.097 0.391 3.71 2 28.5 5.6
160 1 -1 5 37.049 74.098 0.391 3.71 2 25.1 4.3
161 2 6 0 37.167 74.335 0.392 3.69 2 40.2 11.1
162 -2 -6 2 37.427 74.854 0.394 3.64 2 63.0 26.8
163 1 1 5 37.441 74.881 0.395 3.64 2 9.0 0.6
164 -3 3 4 37.534 75.069 0.395 3.62 2 37.6 9.5
165 -1 5 4 37.669 75.337 0.397 3.6 2 25.3 4.3
166 2 -2 4 37.816 75.631 0.398 3.57 2 24.8 4.1
167 3 -3 2 37.826 75.653 0.398 3.57 2 35.3 8.2
168 2 4 3 38.081 76.162 0.4 3.53 2 2.6 0.0
169 -2 6 2 38.118 76.237 0.401 3.52 2 74.7 36.4
170 -3 -1 5 38.155 76.309 0.401 3.52 2 10.4 0.7
171 4 0 0 38.25 76.501 0.402 3.5 2 68.2 30.2
172 0 6 3 38.277 76.555 0.402 3.5 2 32.4 6.8
173 -4 0 3 38.298 76.597 0.402 3.5 2 44.5 12.8
174 -3 -5 1 38.407 76.815 0.403 3.48 2 33.7 7.3
175 3 3 2 38.424 76.849 0.403 3.48 2 30.5 6.0
176 2 -6 1 38.457 76.913 0.404 3.47 2 45.5 13.3
177 -1 7 0 38.468 76.936 0.404 3.47 2 47.2 14.3
178 -3 1 5 38.475 76.95 0.404 3.47 2 21.7 3.0
179 2 2 4 38.478 76.956 0.404 3.47 2 25.1 4.0
180 -1 -7 1 38.502 77.004 0.404 3.46 2 60.0 23.1
181 -3 5 1 38.525 77.051 0.404 3.46 2 16.8 1.8
182 -4 -2 2 38.578 77.155 0.405 3.45 2 38.3 9.4
183 1 7 0 38.586 77.172 0.405 3.45 2 18.4 2.2
184 -4 -2 1 38.636 77.272 0.405 3.44 2 50.3 16.2
185 -4 2 1 38.649 77.299 0.405 3.44 2 19.7 2.5
186 -4 2 2 38.739 77.478 0.406 3.43 2 30.6 5.9
187 -3 -5 2 38.748 77.497 0.406 3.43 2 53.8 18.4
188 -1 7 1 38.902 77.805 0.408 3.4 2 41.1 10.6
189 -1 -1 6 38.966 77.933 0.408 3.39 2 25.6 4.1
190 0 -4 5 39.102 78.204 0.409 3.37 2 40.0 10.0
191 2 6 1 39.102 78.204 0.409 3.37 2 46.5 13.5
192 -3 5 0 39.183 78.367 0.41 3.36 2 23.5 3.4
193 -3 5 2 39.235 78.47 0.411 3.36 2 41.5 10.7
194 -1 1 6 39.392 78.784 0.412 3.33 2 26.6 4.4
195 1 -7 1 39.402 78.803 0.412 3.33 2 26.4 4.3
196 3 5 0 39.435 78.869 0.412 3.33 2 26.8 4.4
197 3 -1 3 39.451 78.902 0.412 3.33 2 42.6 11.2
198 -2 -6 3 39.613 79.226 0.414 3.3 2 34.3 7.2
199 -2 -4 5 39.697 79.394 0.415 3.29 2 23.0 3.2
200 3 1 3 39.722 79.443 0.415 3.29 2 21.7 2.9
201 -1 -7 2 39.783 79.567 0.415 3.28 2 17.5 1.9
202 -4 -2 3 39.884 79.768 0.416 3.27 2 31.0 5.8
203 -2 0 6 39.901 79.802 0.416 3.27 2 33.3 6.7
204 -4 2 0 39.923 79.846 0.417 3.26 2 45.8 12.7
205 1 7 1 40.033 80.065 0.418 3.25 2 27.8 4.6
206 4 2 0 40.056 80.113 0.418 3.25 2 20.5 2.5
207 1 -3 5 40.155 80.311 0.419 3.24 2 33.2 6.6
208 -4 2 3 40.19 80.381 0.419 3.23 2 19.1 2.2
209 1 -5 4 40.26 80.52 0.419 3.22 2 2.4 0.0
210 0 0 6 40.384 80.769 0.421 3.21 2 50.9 15.4
211 -3 -5 3 40.447 80.894 0.421 3.2 2 18.7 2.1
212 0 4 5 40.57 81.14 0.422 3.19 2 15.3 1.4
213 -1 7 2 40.692 81.384 0.423 3.17 2 27.6 4.5
214 -2 6 3 40.731 81.463 0.424 3.17 2 22.2 2.9
215 4 0 1 40.956 81.912 0.425 3.14 2 32.6 6.2
216 -2 4 5 41.027 82.055 0.426 3.14 2 43.9 11.2
217 -4 0 4 41.035 82.069 0.426 3.13 2 22.4 2.9
218 3 -5 1 41.191 82.383 0.427 3.12 2 26.7 4.1
219 -2 -2 6 41.219 82.439 0.428 3.11 2 24.9 3.6
220 2 -6 2 41.285 82.57 0.428 3.11 2 17.2 1.7
221 -3 5 3 41.293 82.586 0.428 3.11 2 30.1 5.2
222 1 3 5 41.3 82.601 0.428 3.11 2 36.8 7.8
223 -3 -3 5 41.303 82.606 0.428 3.11 2 22.9 3.0
224 0 -6 4 41.491 82.981 0.43 3.09 2 21.4 2.6
225 0 -2 6 41.666 83.333 0.432 3.07 2 27.1 4.2
226 1 -7 2 41.679 83.357 0.432 3.07 2 23.3 3.1
227 -1 -5 5 41.714 83.429 0.432 3.07 2 33.3 6.3
228 1 5 4 41.801 83.603 0.433 3.06 2 8.7 0.4
229 3 5 1 41.803 83.606 0.433 3.06 2 18.1 1.9
230 -1 -3 6 41.994 83.988 0.434 3.04 2 7.2 0.3
231 -2 2 6 42.026 84.052 0.435 3.04 2 36.9 7.7
232 -3 3 5 42.244 84.488 0.436 3.02 2 29.5 4.8
233 2 6 2 42.355 84.711 0.437 3.01 2 20.5 2.3
234 -1 -7 3 42.399 84.798 0.438 3.0 2 31.8 5.6
235 -4 -2 4 42.524 85.047 0.439 2.99 2 21.4 2.5
236 4 -2 1 42.531 85.063 0.439 2.99 2 12.2 0.8
237 0 2 6 42.537 85.074 0.439 2.99 2 9.1 0.5
238 3 -3 3 42.622 85.245 0.44 2.98 2 28.1 4.4
239 2 -4 4 42.675 85.349 0.44 2.98 2 14.9 1.2
240 4 2 1 42.808 85.616 0.441 2.97 2 33.2 6.1
241 1 7 2 42.81 85.619 0.441 2.97 2 21.8 2.6
242 -4 2 4 42.971 85.943 0.442 2.96 2 26.2 3.8
243 -2 -6 4 43.109 86.218 0.444 2.95 2 68.3 25.5
244 0 6 4 43.231 86.462 0.445 2.94 2 23.0 2.9
245 -1 3 6 43.249 86.498 0.445 2.94 2 22.7 2.8
246 3 3 3 43.422 86.844 0.446 2.92 2 21.7 2.6
247 -1 5 5 43.444 86.888 0.446 2.92 2 16.5 1.5
248 -3 -5 4 43.47 86.94 0.447 2.92 2 25.8 3.6
249 2 0 5 43.517 87.033 0.447 2.92 2 16.5 1.5
250 0 8 0 43.594 87.188 0.448 2.91 2 25.2 3.4
251 -4 -4 2 43.66 87.32 0.448 2.91 2 21.2 2.4
252 -4 -4 1 43.789 87.578 0.449 2.9 2 22.7 2.8
253 -1 7 3 43.804 87.608 0.449 2.9 2 26.9 3.9
254 -4 4 1 43.815 87.631 0.449 2.9 2 29.5 4.7
255 2 4 4 43.963 87.927 0.451 2.89 2 6.7 0.2
256 0 -8 1 43.973 87.947 0.451 2.89 2 21.1 2.4
257 -4 4 2 43.975 87.951 0.451 2.89 2 30.3 4.9
258 -3 -1 6 44.041 88.082 0.451 2.88 2 5.0 0.1
259 -3 1 6 44.425 88.85 0.454 2.86 2 13.2 0.9
260 3 -5 2 44.518 89.036 0.455 2.85 2 13.4 0.9
261 0 8 1 44.551 89.103 0.455 2.85 2 10.3 0.6
262 -2 6 4 44.646 89.293 0.456 2.85 2 60.5 19.3
263 -3 5 4 44.669 89.338 0.456 2.85 2 7.1 0.3
264 2 -2 5 44.826 89.652 0.458 2.84 2 27.9 4.1
265 -4 -4 3 44.868 89.736 0.458 2.84 2 20.7 2.2
266 1 -1 6 44.961 89.922 0.459 2.83 2 21.9 2.5
267 4 0 2 44.963 89.926 0.459 2.83 2 60.1 18.9
268 -4 4 0 44.992 89.984 0.459 2.83 2 7.0 0.3
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 0 0 1 6.199 12.398 7.13318 895.4 100.0 100.0 5.6
2 0 2 0 9.927 19.853 4.46836 147.2 16.4 16.4 5.6
3 -1 1 0 10.181 20.361 4.35797 491.2 54.9 54.6 5.6
4 -1 -1 1 10.607 21.213 4.18479 441.1 49.3 49.0 5.6
5 -1 1 1 10.76 21.52 4.12591 218.5 24.4 24.3 5.6
6 0 -2 1 11.554 23.108 3.84576 322.1 36.0 35.7 5.6
7 0 2 1 11.917 23.833 3.73036 150.5 16.8 16.7 5.6
8 0 0 2 12.473 24.945 3.56659 500.5 55.9 55.4 5.6
9 1 -1 1 13.045 26.091 3.41254 17.0 1.9 1.9 5.6
10 1 1 1 13.245 26.491 3.36189 185.2 20.7 20.5 5.6
11 -1 -1 2 14.125 28.25 3.15638 43.4 4.8 4.8 5.6
12 -1 1 2 14.393 28.786 3.09879 53.4 6.0 5.9 5.6
13 0 2 2 16.311 32.623 2.74261 76.5 8.5 8.4 5.6
14 -1 3 0 17.496 34.993 2.56208 136.9 15.3 15.0 5.7
15 1 3 0 17.582 35.164 2.54999 66.9 7.5 7.3 5.7
16 -1 -3 1 17.691 35.381 2.53486 100.3 11.2 11.0 5.7
17 1 -1 2 17.852 35.704 2.51264 51.7 5.8 5.7 5.7
18 -1 3 1 17.978 35.955 2.49568 110.6 12.3 12.1 5.7
19 2 0 0 18.032 36.064 2.48839 114.5 12.8 12.6 5.7
20 1 1 2 18.126 36.252 2.47594 26.6 3.0 2.9 5.7
21 0 0 3 18.902 37.805 2.37773 88.1 9.8 9.7 5.7
22 -2 0 2 19.163 38.326 2.34657 219.0 24.5 24.0 5.7
23 1 -3 1 19.263 38.526 2.33486 233.7 26.1 25.6 5.7
24 -1 1 3 19.556 39.113 2.30118 24.8 2.8 2.7 5.7
25 1 3 1 19.686 39.372 2.28663 271.1 30.3 29.6 5.7
26 -1 -3 2 19.98 39.96 2.2543 24.3 2.7 2.7 5.7
27 -2 2 1 20.315 40.629 2.21871 10.7 1.2 1.2 5.7
28 -1 3 2 20.571 41.142 2.19226 19.8 2.2 2.2 5.7
29 2 0 1 20.691 41.381 2.1801 22.9 2.6 2.5 5.7
30 0 -2 3 21.209 42.419 2.12915 19.9 2.2 2.2 5.7
31 -2 2 2 21.925 43.849 2.06296 12.9 1.4 1.4 5.7
32 -2 0 3 22.682 45.364 1.99752 84.3 9.4 9.2 5.7
33 1 -3 2 22.835 45.67 1.98484 82.6 9.2 9.0 5.7
34 2 2 1 23.295 46.589 1.94782 33.3 3.7 3.6 5.7
35 1 3 2 23.502 47.004 1.93158 54.2 6.1 5.9 5.7
36 0 -4 2 23.615 47.23 1.92288 28.1 3.1 3.1 5.7
37 -1 -3 3 23.927 47.854 1.89923 39.8 4.4 4.3 5.7
38 0 4 2 24.392 48.784 1.86518 33.0 3.7 3.6 5.7
39 -2 -2 3 24.745 49.49 1.84021 67.2 7.5 7.3 5.7
40 2 0 2 24.893 49.786 1.82998 26.3 2.9 2.8 5.7
41 -1 -1 4 25.169 50.338 1.8112 11.8 1.3 1.3 5.8
42 0 0 4 25.591 51.182 1.78329 29.6 3.3 3.2 5.8
43 2 -2 2 26.836 53.672 1.70627 27.0 3.0 2.9 5.8
44 -2 -4 1 27.107 54.214 1.6905 19.3 2.2 2.1 5.8
45 -3 1 1 27.194 54.388 1.68549 12.9 1.4 1.4 5.8
46 1 5 0 27.303 54.606 1.67929 36.0 4.0 3.9 5.8
47 -2 0 4 27.483 54.966 1.66912 79.4 8.9 8.5 5.8
48 -2 4 0 27.523 55.046 1.66689 40.2 4.5 4.3 5.8
49 -1 5 1 27.632 55.264 1.66083 9.3 1.0 1.0 5.8
50 1 -3 3 27.674 55.347 1.65854 92.5 10.3 9.9 5.8
51 0 -4 3 27.712 55.424 1.65641 11.0 1.2 1.2 5.8
52 -3 -1 2 27.748 55.497 1.65442 18.3 2.0 2.0 5.8
53 -3 1 2 27.864 55.727 1.64812 37.1 4.1 4.0 5.8
54 -3 1 0 28.151 56.303 1.63264 21.8 2.4 2.3 5.8
55 1 -5 1 28.396 56.792 1.61973 28.5 3.2 3.0 5.8
56 1 3 3 28.515 57.03 1.61353 77.3 8.6 8.3 5.8
57 -2 4 2 28.693 57.386 1.60435 14.8 1.7 1.6 5.8
58 -1 -3 4 29.034 58.069 1.58711 42.3 4.7 4.5 5.8
59 -2 2 4 29.812 59.623 1.54939 44.4 5.0 4.7 5.8
60 -3 -1 3 29.895 59.79 1.54547 13.8 1.5 1.5 5.8
61 -1 3 4 29.988 59.975 1.54114 28.1 3.1 3.0 5.8
62 2 0 3 30.187 60.375 1.5319 34.4 3.8 3.7 5.8
63 3 -1 1 30.635 61.27 1.51163 10.8 1.2 1.1 5.8
64 -3 -3 1 31.144 62.288 1.48935 165.8 18.5 17.6 5.8
65 -3 3 1 31.222 62.444 1.48602 83.4 9.3 8.9 5.8
66 -3 -3 2 31.599 63.198 1.47008 13.0 1.5 1.4 5.9
67 0 -6 1 31.649 63.299 1.46798 9.1 1.0 1.0 5.9
68 2 -2 3 31.833 63.666 1.4604 14.7 1.6 1.6 5.9
69 -3 3 2 31.918 63.836 1.45692 25.7 2.9 2.7 5.9
70 1 5 2 31.993 63.986 1.45387 15.0 1.7 1.6 5.9
71 -3 3 0 32.023 64.045 1.45266 11.0 1.2 1.2 5.9
72 0 6 1 32.132 64.265 1.44823 19.9 2.2 2.1 5.9
73 3 3 0 32.187 64.374 1.44604 12.8 1.4 1.4 5.9
74 2 2 3 32.387 64.774 1.43807 34.3 3.8 3.6 5.9
75 0 0 5 32.679 65.357 1.42664 13.3 1.5 1.4 5.9
76 0 -4 4 32.92 65.84 1.41734 17.1 1.9 1.8 5.9
77 -2 0 5 33.246 66.492 1.40501 15.6 1.7 1.6 5.9
78 2 4 2 33.35 66.7 1.40114 9.4 1.1 1.0 5.9
79 1 -3 4 33.467 66.935 1.39679 11.7 1.3 1.2 5.9
80 -3 -3 3 33.518 67.036 1.39493 13.3 1.5 1.4 5.9
81 0 -6 2 33.618 67.236 1.39127 13.7 1.5 1.4 5.9
82 -3 1 4 33.682 67.363 1.38895 9.0 1.0 0.9 5.9
83 0 4 4 34.174 68.349 1.3713 28.9 3.2 3.0 5.9
84 3 -3 1 34.264 68.528 1.36816 9.3 1.0 1.0 5.9
85 1 3 4 34.456 68.911 1.36147 17.4 1.9 1.8 5.9
86 3 3 1 34.654 69.309 1.35464 12.6 1.4 1.3 5.9
87 -2 -2 5 34.729 69.458 1.35209 20.4 2.3 2.1 5.9
88 -1 -3 5 35.057 70.114 1.34103 82.9 9.3 8.7 5.9
89 -1 3 5 36.149 72.299 1.3058 68.3 7.6 7.1 5.9
90 2 0 4 36.38 72.761 1.29864 65.1 7.3 6.8 6.0
91 -2 -6 1 36.602 73.204 1.29187 23.3 2.6 2.4 6.0
92 -2 6 1 36.848 73.697 1.28444 20.6 2.3 2.1 6.0
93 -4 0 1 36.884 73.768 1.28338 36.3 4.1 3.8 6.0
94 -2 6 0 36.963 73.925 1.28104 17.6 2.0 1.8 6.0
95 2 -4 3 37.049 74.097 1.27849 9.9 1.1 1.0 6.0
96 2 6 0 37.167 74.335 1.27499 11.1 1.2 1.2 6.0
97 -2 -6 2 37.427 74.854 1.26743 27.3 3.0 2.8 6.0
98 -3 3 4 37.534 75.069 1.26433 9.5 1.1 1.0 6.0
99 3 -3 2 37.826 75.653 1.25602 12.3 1.4 1.3 6.0
100 -2 6 2 38.118 76.237 1.24784 36.4 4.1 3.8 6.0
101 4 0 0 38.25 76.501 1.24419 37.0 4.1 3.8 6.0
102 -4 0 3 38.298 76.597 1.24288 12.8 1.4 1.3 6.0
103 -3 -5 1 38.407 76.815 1.23989 13.3 1.5 1.4 6.0
104 -1 7 0 38.468 76.936 1.23823 34.7 3.9 3.6 6.0
105 -1 -7 1 38.502 77.004 1.23731 24.9 2.8 2.6 6.0
106 -4 -2 2 38.578 77.155 1.23526 11.6 1.3 1.2 6.0
107 -4 -2 1 38.636 77.272 1.23369 18.6 2.1 1.9 6.0
108 -3 -5 2 38.748 77.497 1.23068 24.3 2.7 2.5 6.0
109 -1 7 1 38.902 77.805 1.22657 10.6 1.2 1.1 6.0
110 2 6 1 39.102 78.204 1.2213 23.5 2.6 2.4 6.0
111 -3 5 2 39.235 78.47 1.21783 10.7 1.2 1.1 6.0
112 3 -1 3 39.451 78.902 1.21224 15.6 1.7 1.6 6.0
113 -4 2 0 39.923 79.846 1.20026 25.2 2.8 2.6 6.0
114 0 0 6 40.384 80.769 1.18886 15.4 1.7 1.6 6.1
115 -2 4 5 41.027 82.055 1.17346 14.1 1.6 1.4 6.1
116 -3 -3 5 41.303 82.606 1.16702 17.7 2.0 1.8 6.1
117 -2 -6 4 43.109 86.218 1.12715 25.5 2.8 2.6 6.1
118 -4 4 1 43.815 87.631 1.11258 11.3 1.3 1.1 6.2
119 -2 6 4 44.646 89.293 1.09613 19.6 2.2 2.0 6.2
120 4 0 2 44.963 89.926 1.09005 21.7 2.4 2.2 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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