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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TALC
2, at 293'K, f-talc-pyrophyllite, s-talc
Mg(3)[Si(4)O(10)](OH)(2)
Triclinic C 1(-) Z = 2
R =0.0742 NR =96
29 .1 .16
Ref.Str.:
G.D. Gatta, M. Merlini, G. Valdre, H.-P. Liermann,
G. Nenert, A. Rothkirch, V. Kahlenberg, A. Pavese (2013)
* Phys. Chem. Minerals, 40, 145-156
L: $Mg2.93 Fe0.06 Si3.97 Al0.02 O12.1 H2.1$
R: Locflity - the metamorphic complex of Val di Vizze (Pfitschtal),
Bolzano, Trentino-Alto Adige, Italy. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.2905 alpha = 90.91
b = 9.1739 beta = 99.64
c = 9.485 gamma = 90.1
Unit cell volume (cub. angs.) = 453.79
Molar volume ( cub.cm/mol.) = 136.67
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2556 0.5049 0.2912 0.0 Si = 1.00
2 0.255 0.8385 0.2913 0.0 Si = 1.00
3 0.0 0.0 0.0 0.0 Mg = 1.00
4 0.4999 0.8334 0.9999 0.0 Mg = 1.00
5 0.2037 0.8352 0.1177 0.0 O = 1.00
6 0.7002 0.6684 0.1126 0.0 O = 1.00
7 0.2031 0.5015 0.1174 0.0 O = 1.00
8 0.0317 0.9333 0.3488 0.0 O = 1.00
9 0.5313 0.9126 0.3501 0.0 O = 1.00
10 0.2513 0.6727 0.3486 0.0 O = 1.00
11 0.708 0.728 0.202 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2556 0.5049 0.2912
2 2 0.255 0.8385 0.2913
3 3 0.0 0.0 0.0
4 4 0.4999 0.8334 0.9999
5 5 0.2037 0.8352 0.1177
6 6 0.7002 0.6684 0.1126
7 7 0.2031 0.5015 0.1174
8 8 0.0317 0.9333 0.3488
9 9 0.5313 0.9126 0.3501
10 10 0.2513 0.6727 0.3486
11 11 0.708 0.728 0.202
12 1 0.7444 0.4951 0.7088
13 2 0.745 0.1615 0.7087
14 4 0.5001 0.1666 0.0
15 5 0.7963 0.1648 0.8823
16 6 0.2998 0.3316 0.8874
17 7 0.7969 0.4985 0.8826
18 8 0.9683 0.0667 0.6512
19 9 0.4687 0.0874 0.6499
20 10 0.7487 0.3273 0.6514
21 11 0.292 0.272 0.798
22 1 0.2444 0.9951 0.7088
23 2 0.245 0.6615 0.7087
24 3 0.5 0.5 0.0
25 4 0.0 0.6666 0.0
26 5 0.2963 0.6648 0.8823
27 6 0.7998 0.8316 0.8874
28 7 0.2969 0.9985 0.8826
29 8 0.4683 0.5667 0.6512
30 9 0.9687 0.5874 0.6499
31 10 0.2487 0.8273 0.6514
32 11 0.792 0.772 0.798
33 1 0.7556 0.0049 0.2912
34 2 0.755 0.3385 0.2913
35 4 0.0 0.3334 0.0
36 5 0.7037 0.3352 0.1177
37 6 0.2002 0.1684 0.1126
38 7 0.7031 0.0015 0.1174
39 8 0.5317 0.4333 0.3488
40 9 0.0313 0.4126 0.3501
41 10 0.7513 0.1727 0.3486
42 11 0.208 0.228 0.202
X-ray density (g/cm cub.) = 2.77
MU (1/cm) = 86.56 Mass attenuation coefficient (cm**2/g) = 31.195
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6251 7
1.6264 10
1.6157 8
1.634 9
2 Si 2.1 4
1.6231 5
1.6291 8
1.6191 9
1.6244 10
3 Mg 2.52 6
2.0856 5
2.0856 5
2.0523 6
2.0719 7
2.0523 6
2.0719 7
4 Mg 2.52 6
2.0711 5
2.0573 6
2.0815 5
2.0551 6
2.0848 7
2.0773 7
5 O 3.264 12
3.0493 6
3.0626 6
3.0613 7
2.6554 8
2.6521 9
2.6462 10
2.8155 5
2.788 6
2.8163 7
3.0579 6
3.049 7
3.0584 7
6 O 3.264 9
3.0626 5
3.0493 5
3.0661 7
3.0481 7
2.7783 7
2.788 5
2.7491 6
3.0579 5
3.0554 7
7 O 3.264 12
3.0613 5
3.0481 6
3.0661 6
2.6538 10
2.7783 6
2.8238 7
2.8163 5
3.0584 5
3.049 5
3.0554 6
2.6458 8
2.6626 9
8 O 3.264 8
2.6554 5
2.6483 9
2.6559 9
2.66 10
3.1701 8
3.0807 10
2.6458 7
2.6523 10
9 O 3.264 6
2.6521 5
2.6559 8
2.6483 8
2.6493 10
2.6626 7
2.6543 10
10 O 3.264 8
2.6462 5
2.6538 7
2.66 8
2.6493 9
3.0807 8
3.185 10
2.6523 8
2.6543 9
11 H 1.632 1
0.9966 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 0 0 1 4.726 9.451 0.053 291.69 2 58.2 960.9
2 0 0 2 9.484 18.968 0.107 70.74 2 42.1 122.1
3 0 2 0 9.669 19.337 0.109 67.98 2 39.9 104.9
4 -1 1 0 9.762 19.525 0.11 66.64 2 61.2 242.5
5 1 1 0 9.8 19.601 0.11 66.11 2 67.2 289.6
6 -1 -1 1 10.216 20.432 0.115 60.66 2 54.3 173.6
7 -1 1 1 10.254 20.508 0.116 60.2 2 11.6 7.9
8 0 -2 1 10.711 21.422 0.121 55.0 2 73.3 286.7
9 0 2 1 10.852 21.705 0.122 53.52 2 39.0 79.1
10 1 -1 1 11.447 22.894 0.129 47.89 2 60.6 170.5
11 1 1 1 11.546 23.093 0.13 47.03 2 0.0 0.0
12 -1 -1 2 12.591 25.181 0.141 39.22 2 23.3 20.6
13 -1 1 2 12.683 25.365 0.143 38.63 2 64.2 154.5
14 0 -2 2 13.494 26.988 0.151 33.89 2 14.2 6.6
15 0 2 2 13.721 27.443 0.154 32.7 2 62.2 123.1
16 0 0 3 14.309 28.618 0.16 29.91 2 144.2 604.1
17 1 -1 2 14.607 29.214 0.164 28.63 2 14.0 5.5
18 1 1 2 14.739 29.478 0.165 28.08 2 58.3 92.6
19 -1 -1 3 16.126 32.253 0.18 23.14 2 59.5 79.6
20 -1 1 3 16.248 32.497 0.182 22.77 2 32.9 23.9
21 -1 3 0 16.945 33.89 0.189 20.79 2 35.6 25.6
22 1 3 0 17.013 34.027 0.19 20.61 2 53.7 57.8
23 -2 0 1 17.041 34.081 0.19 20.53 2 56.0 62.6
24 2 0 0 17.18 34.359 0.192 20.17 2 66.5 86.5
25 -1 -3 1 17.22 34.44 0.192 20.07 2 67.6 89.2
26 0 -2 3 17.249 34.499 0.192 20.0 2 47.6 44.0
27 -1 3 1 17.29 34.581 0.193 19.89 2 71.3 98.3
28 0 2 3 17.523 35.046 0.195 19.32 2 10.1 1.9
29 1 -3 1 17.964 35.929 0.2 18.3 2 131.7 308.3
30 1 3 1 18.162 36.323 0.202 17.86 2 134.9 315.5
31 -2 0 2 18.251 36.503 0.203 17.67 2 136.0 317.4
32 1 -1 3 18.567 37.133 0.207 17.02 2 50.7 42.6
33 2 0 1 18.642 37.284 0.207 16.87 2 14.3 3.4
34 1 1 3 18.717 37.433 0.208 16.72 2 33.6 18.3
35 -1 -3 2 18.743 37.485 0.209 16.67 2 10.4 1.8
36 -1 3 2 18.936 37.871 0.211 16.3 2 7.9 1.0
37 0 0 4 19.241 38.482 0.214 15.73 2 22.9 8.0
38 0 4 0 19.627 39.255 0.218 15.05 2 6.2 0.6
39 -2 -2 1 19.74 39.48 0.219 14.86 2 26.6 10.2
40 -2 2 1 19.742 39.483 0.219 14.86 2 8.8 1.1
41 -2 2 0 19.823 39.647 0.22 14.72 2 3.6 0.2
42 2 2 0 19.903 39.807 0.221 14.59 2 25.2 9.0
43 0 -4 1 20.154 40.308 0.224 14.19 2 4.3 0.3
44 1 -3 2 20.169 40.338 0.224 14.17 2 93.9 121.3
45 -1 -1 4 20.299 40.599 0.225 13.97 2 16.8 3.8
46 0 4 1 20.314 40.628 0.225 13.94 2 23.2 7.3
47 -1 1 4 20.439 40.879 0.227 13.75 2 24.5 8.0
48 1 3 2 20.468 40.935 0.227 13.71 2 83.7 93.2
49 -2 0 3 20.607 41.214 0.228 13.51 2 82.4 89.1
50 -2 -2 2 20.777 41.553 0.23 13.26 2 25.6 8.4
51 -2 2 2 20.857 41.713 0.231 13.15 2 29.4 11.0
52 2 -2 1 21.091 42.182 0.234 12.82 2 18.6 4.3
53 2 0 2 21.193 42.387 0.235 12.68 2 83.3 85.4
54 2 2 1 21.244 42.488 0.235 12.62 2 17.8 3.9
55 -1 -3 3 21.34 42.68 0.236 12.49 2 82.6 82.8
56 0 -2 4 21.556 43.111 0.238 12.21 2 34.1 13.8
57 -1 3 3 21.627 43.255 0.239 12.12 2 81.1 77.4
58 0 -4 2 21.821 43.641 0.241 11.88 2 26.9 8.3
59 0 2 4 21.859 43.717 0.242 11.83 2 34.8 13.9
60 0 4 2 22.121 44.241 0.244 11.52 2 41.5 19.3
61 -2 -2 3 22.88 45.759 0.252 10.68 2 6.0 0.4
62 1 -1 4 23.006 46.011 0.254 10.54 2 19.1 3.8
63 -2 2 3 23.026 46.052 0.254 10.52 2 43.2 19.1
64 1 1 4 23.168 46.335 0.255 10.38 2 18.6 3.5
65 1 -3 3 23.281 46.562 0.257 10.26 2 54.3 29.4
66 2 -2 2 23.386 46.772 0.258 10.16 2 44.8 19.8
67 2 2 2 23.598 47.196 0.26 9.95 2 15.1 2.2
68 1 3 3 23.654 47.307 0.26 9.9 2 53.9 27.9
69 -2 0 4 23.829 47.659 0.262 9.74 2 54.7 28.3
70 0 0 5 24.326 48.651 0.267 9.29 2 68.3 42.1
71 0 -4 3 24.441 48.882 0.269 9.19 2 48.8 21.3
72 2 0 3 24.562 49.123 0.27 9.09 2 8.0 0.6
73 -1 -3 4 24.743 49.485 0.272 8.94 2 4.1 0.1
74 0 4 3 24.853 49.705 0.273 8.85 2 27.7 6.6
75 -1 -1 5 24.89 49.78 0.273 8.82 2 29.3 7.3
76 -1 1 5 25.043 50.087 0.275 8.7 2 35.5 10.6
77 -1 3 4 25.101 50.202 0.275 8.65 2 5.0 0.2
78 -2 -2 4 25.847 51.693 0.283 8.09 2 38.4 11.6
79 -2 2 4 26.046 52.093 0.285 7.95 2 17.3 2.3
80 0 -2 5 26.25 52.5 0.287 7.81 2 10.9 0.9
81 -1 5 0 26.389 52.779 0.289 7.72 2 48.1 17.3
82 -3 1 1 26.407 52.814 0.289 7.71 2 8.5 0.5
83 -3 -1 1 26.422 52.845 0.289 7.7 2 37.1 10.3
84 1 5 0 26.469 52.939 0.289 7.67 2 31.2 7.3
85 -2 -4 1 26.471 52.942 0.289 7.66 2 45.2 15.2
86 -2 4 1 26.474 52.947 0.289 7.66 2 48.8 17.8
87 -2 4 0 26.506 53.013 0.29 7.64 2 33.7 8.4
88 2 -2 3 26.507 53.013 0.29 7.64 2 32.1 7.6
89 0 2 5 26.576 53.153 0.29 7.6 2 27.4 5.5
90 -1 -5 1 26.582 53.165 0.29 7.59 2 26.8 5.3
91 2 4 0 26.634 53.268 0.291 7.56 2 4.4 0.1
92 -1 5 1 26.665 53.33 0.291 7.54 2 38.7 11.0
93 2 2 3 26.765 53.53 0.292 7.47 2 50.2 18.3
94 -3 1 0 26.78 53.56 0.292 7.46 2 44.2 14.2
95 3 1 0 26.828 53.655 0.293 7.43 2 47.5 16.3
96 -3 -1 2 26.987 53.973 0.295 7.33 2 15.2 1.7
97 -3 1 2 27.004 54.007 0.295 7.32 2 44.7 14.2
98 1 -3 4 27.072 54.143 0.295 7.28 2 111.2 87.5
99 1 -5 1 27.083 54.166 0.296 7.28 2 3.8 0.1
100 -2 -4 2 27.274 54.548 0.297 7.16 2 40.8 11.6
101 1 5 1 27.321 54.643 0.298 7.13 2 44.1 13.5
102 -2 4 2 27.404 54.808 0.299 7.08 2 3.5 0.1
103 2 -4 1 27.5 55.0 0.3 7.03 2 23.6 3.8
104 1 3 4 27.502 55.003 0.3 7.03 2 117.3 93.9
105 -1 -5 2 27.652 55.304 0.301 6.94 2 53.1 19.0
106 -2 0 5 27.706 55.412 0.302 6.91 2 118.7 94.5
107 2 4 1 27.751 55.502 0.302 6.88 2 43.0 12.4
108 1 -1 5 27.811 55.622 0.303 6.85 2 23.0 3.5
109 0 -4 4 27.819 55.638 0.303 6.85 2 19.1 2.4
110 -1 5 2 27.89 55.781 0.304 6.81 2 18.7 2.3
111 1 1 5 27.984 55.968 0.305 6.75 2 33.7 7.5
112 3 -1 1 28.096 56.193 0.306 6.69 2 41.5 11.2
113 3 1 1 28.174 56.347 0.306 6.65 2 3.0 0.1
114 0 4 4 28.321 56.641 0.308 6.57 2 21.9 3.1
115 -3 -1 3 28.481 56.962 0.31 6.49 2 42.7 11.5
116 -3 1 3 28.528 57.056 0.31 6.47 2 22.8 3.3
117 2 0 4 28.552 57.105 0.31 6.45 2 29.2 5.3
118 1 -5 2 28.698 57.396 0.312 6.38 2 42.2 11.0
119 -1 -3 5 28.761 57.521 0.312 6.35 2 34.7 7.4
120 -2 -4 3 28.988 57.977 0.315 6.24 2 16.8 1.7
121 1 5 2 29.081 58.161 0.315 6.19 2 1.7 0.0
122 -1 3 5 29.176 58.352 0.316 6.15 2 47.8 13.6
123 -2 4 3 29.236 58.471 0.317 6.12 2 42.7 10.8
124 2 -4 2 29.389 58.778 0.319 6.05 2 39.5 9.1
125 -2 -2 5 29.504 59.008 0.32 5.99 2 54.0 17.0
126 -1 -5 3 29.609 59.218 0.321 5.95 2 9.1 0.5
127 0 0 6 29.624 59.248 0.321 5.94 2 66.3 25.4
128 -2 2 5 29.748 59.495 0.322 5.88 2 34.2 6.7
129 2 4 2 29.75 59.5 0.322 5.88 2 21.6 2.7
130 -1 -1 6 29.834 59.668 0.323 5.85 2 26.5 4.0
131 -1 5 3 29.988 59.975 0.324 5.78 2 46.9 12.3
132 -1 1 6 30.0 60.0 0.325 5.77 2 0.4 0.0
133 0 6 0 30.255 60.511 0.327 5.67 2 140.4 108.4
134 -3 3 1 30.264 60.528 0.327 5.66 2 140.1 108.0
135 3 -1 2 30.275 60.549 0.327 5.66 2 14.5 1.2
136 2 -2 4 30.29 60.579 0.327 5.65 2 21.0 2.4
137 -3 -3 1 30.306 60.612 0.328 5.64 2 142.6 111.4
138 3 1 2 30.378 60.757 0.328 5.61 2 45.6 11.3
139 -3 3 0 30.576 61.153 0.33 5.53 2 84.1 38.0
140 2 2 4 30.586 61.173 0.33 5.53 2 40.3 8.7
141 0 -6 1 30.611 61.222 0.331 5.52 2 79.7 34.1
142 3 3 0 30.707 61.414 0.331 5.48 2 71.2 27.0
143 0 6 1 30.789 61.578 0.332 5.45 2 55.5 16.3
144 -3 -3 2 30.794 61.588 0.332 5.45 2 64.3 21.9
145 -3 -1 4 30.817 61.635 0.333 5.44 2 11.9 0.7
146 -3 3 2 30.841 61.682 0.333 5.43 2 51.6 14.0
147 -3 1 4 30.892 61.784 0.333 5.41 2 21.1 2.3
148 1 -5 3 31.142 62.285 0.336 5.31 2 17.8 1.6
149 0 -2 6 31.295 62.59 0.337 5.26 2 28.4 4.1
150 1 -3 5 31.41 62.819 0.338 5.21 2 70.7 25.3
151 -2 -4 4 31.52 63.04 0.339 5.17 2 45.1 10.2
152 0 2 6 31.646 63.291 0.341 5.13 2 13.9 1.0
153 1 5 3 31.653 63.306 0.341 5.13 2 29.4 4.3
154 3 -3 1 31.762 63.525 0.342 5.09 2 2.6 0.0
155 0 -4 5 31.818 63.637 0.342 5.07 2 35.5 6.2
156 0 -6 2 31.839 63.678 0.342 5.06 2 3.1 0.0
157 -2 4 4 31.872 63.743 0.343 5.05 2 30.7 4.6
158 1 3 5 31.889 63.778 0.343 5.04 2 58.7 16.9
159 3 3 1 31.977 63.955 0.344 5.01 2 5.3 0.1
160 2 -4 3 32.075 64.151 0.345 4.98 2 3.4 0.1
161 -2 0 6 32.118 64.236 0.345 4.97 2 52.9 13.5
162 -3 -3 3 32.147 64.294 0.345 4.96 2 4.2 0.1
163 0 6 2 32.186 64.373 0.346 4.94 2 3.3 0.1
164 -3 3 3 32.279 64.558 0.347 4.91 2 3.2 0.0
165 -1 -5 4 32.356 64.712 0.347 4.89 2 37.5 6.7
166 0 4 5 32.396 64.793 0.348 4.87 2 55.4 14.5
167 2 4 3 32.534 65.068 0.349 4.83 2 17.2 1.4
168 -1 5 4 32.859 65.718 0.352 4.73 2 16.0 1.2
169 1 -1 6 32.972 65.944 0.353 4.69 2 22.3 2.3
170 2 0 5 33.066 66.132 0.354 4.66 2 155.1 108.9
171 1 1 6 33.157 66.313 0.355 4.64 2 0.2 0.0
172 3 -1 3 33.217 66.434 0.356 4.62 2 41.2 7.6
173 -1 -3 6 33.299 66.598 0.356 4.6 2 157.0 110.0
174 3 1 3 33.344 66.688 0.357 4.58 2 25.5 2.9
175 -2 -2 6 33.746 67.492 0.361 4.47 2 14.7 0.9
176 -1 3 6 33.766 67.532 0.361 4.46 2 157.2 107.1
177 3 -3 2 33.771 67.543 0.361 4.46 2 39.8 6.9
178 0 -6 3 33.887 67.774 0.362 4.43 2 43.1 8.0
179 -3 -1 5 33.9 67.801 0.362 4.43 2 22.8 2.2
180 -3 1 5 33.999 67.999 0.363 4.4 2 26.4 3.0
181 -2 2 6 34.028 68.057 0.363 4.39 2 58.6 14.6
182 3 3 2 34.064 68.128 0.364 4.38 2 47.6 9.7
183 -3 -3 4 34.31 68.62 0.366 4.32 2 51.4 11.1
184 1 -5 4 34.322 68.643 0.366 4.31 2 17.0 1.2
185 0 6 3 34.391 68.782 0.367 4.3 2 57.8 14.0
186 -3 3 4 34.522 69.043 0.368 4.26 2 59.3 14.6
187 2 -2 5 34.645 69.289 0.369 4.23 2 57.8 13.7
188 -2 -4 5 34.777 69.555 0.37 4.2 2 14.2 0.8
189 1 5 4 34.946 69.892 0.372 4.16 2 17.3 1.2
190 2 2 5 34.977 69.953 0.372 4.15 2 11.3 0.5
191 -1 -1 7 35.148 70.297 0.374 4.11 2 12.7 0.6
192 0 0 7 35.218 70.436 0.374 4.09 2 77.0 23.6
193 -2 4 5 35.222 70.445 0.374 4.09 2 12.2 0.6
194 -1 1 7 35.328 70.656 0.375 4.07 2 25.0 2.5
195 2 -4 4 35.472 70.944 0.377 4.03 2 22.2 1.9
196 -4 0 1 35.635 71.271 0.378 4.0 2 15.1 0.9
197 -2 -6 1 35.652 71.303 0.378 3.99 2 32.1 4.0
198 -2 6 1 35.655 71.31 0.378 3.99 2 76.7 22.8
199 -2 6 0 35.655 71.31 0.378 3.99 2 87.6 29.8
200 -1 -5 5 35.807 71.614 0.38 3.96 2 30.4 3.6
201 2 6 0 35.816 71.633 0.38 3.96 2 84.7 27.6
202 -4 0 2 35.88 71.761 0.38 3.94 2 79.9 24.5
203 2 4 4 36.019 72.037 0.382 3.92 2 23.0 2.0
204 4 0 0 36.209 72.418 0.383 3.88 2 145.2 79.3
205 1 -3 6 36.25 72.501 0.384 3.87 2 52.8 10.5
206 -2 -6 2 36.305 72.61 0.384 3.86 2 139.5 72.9
207 0 -4 6 36.375 72.749 0.385 3.84 2 58.8 12.9
208 -1 5 5 36.423 72.846 0.385 3.83 2 25.2 2.4
209 -2 6 2 36.472 72.944 0.386 3.82 2 119.9 53.4
210 2 -6 1 36.472 72.945 0.386 3.82 2 31.2 3.6
211 3 -3 3 36.54 73.081 0.386 3.81 2 51.6 9.8
212 0 -6 4 36.692 73.383 0.388 3.78 2 49.1 8.8
213 0 -2 7 36.727 73.453 0.388 3.77 2 1.7 0.0
214 1 3 6 36.78 73.56 0.389 3.76 2 57.0 11.9
215 2 6 1 36.795 73.59 0.389 3.76 2 64.3 15.1
216 3 -1 4 36.847 73.694 0.389 3.75 2 16.4 1.0
217 3 3 3 36.904 73.809 0.39 3.74 2 45.0 7.3
218 -4 0 3 36.938 73.876 0.39 3.73 2 73.2 19.4
219 3 1 4 36.995 73.99 0.391 3.72 2 17.7 1.1
220 0 4 6 37.026 74.052 0.391 3.71 2 38.0 5.2
221 -2 0 7 37.034 74.068 0.391 3.71 2 58.1 12.2
222 0 2 7 37.106 74.212 0.392 3.7 2 21.2 1.6
223 -3 -3 5 37.221 74.442 0.393 3.68 2 37.8 5.1
224 -1 7 0 37.262 74.523 0.393 3.67 2 45.2 7.3
225 -3 5 1 37.264 74.528 0.393 3.67 2 40.2 5.8
226 -4 2 1 37.3 74.6 0.393 3.66 2 41.8 6.2
227 -3 -5 1 37.328 74.655 0.394 3.66 2 9.9 0.3
228 0 6 4 37.341 74.682 0.394 3.66 2 32.6 3.8
229 -4 -2 1 37.352 74.704 0.394 3.66 2 31.4 3.5
230 1 7 0 37.354 74.708 0.394 3.65 2 40.5 5.8
231 -1 -7 1 37.421 74.842 0.394 3.64 2 34.0 4.1
232 -3 3 5 37.507 75.014 0.395 3.63 2 29.5 3.1
233 -1 7 1 37.517 75.034 0.395 3.63 2 12.1 0.5
234 -3 5 0 37.52 75.039 0.395 3.63 2 35.6 4.5
235 -4 -2 2 37.566 75.131 0.396 3.62 2 16.2 0.9
236 -4 2 2 37.568 75.136 0.396 3.62 2 33.6 4.0
237 4 0 1 37.587 75.174 0.396 3.61 2 17.4 1.1
238 -3 -1 6 37.66 75.32 0.397 3.6 2 17.6 1.1
239 3 5 0 37.718 75.435 0.397 3.59 2 38.6 5.2
240 -3 -5 2 37.743 75.485 0.397 3.59 2 40.8 5.8
241 -2 -6 3 37.761 75.521 0.397 3.58 2 8.8 0.3
242 -3 1 6 37.782 75.563 0.398 3.58 2 2.3 0.0
243 1 -7 1 37.812 75.623 0.398 3.58 2 21.7 1.6
244 -3 5 2 37.814 75.627 0.398 3.58 2 2.8 0.0
245 -4 2 0 37.837 75.675 0.398 3.57 2 1.7 0.0
246 4 2 0 37.942 75.885 0.399 3.55 2 36.6 4.6
247 -2 6 3 38.086 76.171 0.4 3.53 2 7.4 0.2
248 2 0 6 38.086 76.172 0.4 3.53 2 67.1 15.4
249 2 -6 2 38.086 76.173 0.4 3.53 2 76.8 20.2
250 1 7 1 38.091 76.183 0.4 3.53 2 5.4 0.1
251 1 -5 5 38.171 76.342 0.401 3.52 2 19.6 1.3
252 -1 -7 2 38.29 76.579 0.402 3.5 2 12.3 0.5
253 -1 -3 7 38.345 76.689 0.403 3.49 2 60.7 12.5
254 -2 -2 7 38.541 77.082 0.404 3.46 2 44.9 6.8
255 1 -1 7 38.544 77.087 0.404 3.46 2 13.2 0.6
256 2 6 2 38.565 77.129 0.405 3.45 2 52.9 9.4
257 -1 7 2 38.572 77.144 0.405 3.45 2 28.7 2.8
258 3 -5 1 38.575 77.15 0.405 3.45 2 18.2 1.1
259 -4 -2 3 38.579 77.159 0.405 3.45 2 46.2 7.2
260 -4 2 3 38.635 77.27 0.405 3.44 2 16.4 0.9
261 -2 -4 6 38.701 77.401 0.406 3.43 2 24.6 2.0
262 1 1 7 38.743 77.487 0.406 3.43 2 23.5 1.8
263 -4 0 4 38.783 77.566 0.407 3.42 2 42.2 5.9
264 -2 2 7 38.862 77.724 0.407 3.41 2 22.9 1.7
265 -1 3 7 38.866 77.731 0.407 3.41 2 47.1 7.3
266 1 5 5 38.904 77.808 0.408 3.4 2 13.3 0.6
267 3 5 1 38.904 77.809 0.408 3.4 2 39.4 5.1
268 -3 -5 3 38.954 77.908 0.408 3.4 2 17.5 1.0
269 1 -7 2 39.155 78.311 0.41 3.37 2 32.1 3.4
270 -3 5 3 39.157 78.314 0.41 3.37 2 32.6 3.5
271 4 -2 1 39.168 78.337 0.41 3.37 2 35.1 4.0
272 -2 4 6 39.235 78.47 0.411 3.36 2 32.0 3.3
273 4 2 1 39.326 78.651 0.411 3.34 2 3.0 0.0
274 2 -4 5 39.528 79.057 0.413 3.32 2 12.6 0.5
275 2 -2 6 39.555 79.109 0.413 3.31 2 36.7 4.3
276 1 7 2 39.618 79.235 0.414 3.3 2 44.8 6.4
277 4 0 2 39.741 79.482 0.415 3.29 2 31.8 3.2
278 -1 -5 6 39.916 79.833 0.417 3.27 2 9.3 0.3
279 2 2 6 39.924 79.848 0.417 3.26 2 59.5 11.2
280 -1 -7 3 39.945 79.889 0.417 3.26 2 31.7 3.2
281 -2 -6 4 39.989 79.978 0.417 3.26 2 42.9 5.8
282 3 -3 4 40.021 80.043 0.417 3.25 2 42.2 5.6
283 2 4 5 40.161 80.322 0.419 3.23 2 2.4 0.0
284 0 -6 5 40.207 80.414 0.419 3.23 2 45.0 6.3
285 -4 -2 4 40.375 80.75 0.42 3.21 2 18.4 1.1
286 -1 7 3 40.408 80.816 0.421 3.21 2 23.9 1.8
287 3 -5 2 40.412 80.823 0.421 3.2 2 46.6 6.8
288 3 3 4 40.454 80.909 0.421 3.2 2 46.7 6.8
289 -2 6 4 40.467 80.934 0.421 3.2 2 70.2 15.3
290 2 -6 3 40.468 80.936 0.421 3.2 2 31.4 3.1
291 -4 2 4 40.482 80.965 0.421 3.2 2 44.7 6.2
292 -1 5 6 40.643 81.286 0.423 3.18 2 29.0 2.6
293 -3 -3 6 40.84 81.68 0.424 3.16 2 49.1 7.4
294 3 5 2 40.868 81.736 0.425 3.15 2 8.0 0.2
295 -1 -1 8 40.914 81.828 0.425 3.15 2 18.7 1.1
296 -3 -5 4 40.942 81.883 0.425 3.14 2 19.3 1.1
297 0 6 5 40.997 81.994 0.426 3.14 2 53.1 8.6
298 2 6 3 41.096 82.192 0.427 3.13 2 33.4 3.4
299 -1 1 8 41.112 82.223 0.427 3.13 2 0.8 0.0
300 3 -1 5 41.132 82.264 0.427 3.12 2 23.5 1.7
301 -3 3 6 41.197 82.394 0.428 3.12 2 53.0 8.5
302 0 0 8 41.229 82.459 0.428 3.11 2 47.4 6.8
303 1 -7 3 41.272 82.544 0.428 3.11 2 41.1 5.1
304 4 -2 2 41.273 82.546 0.428 3.11 2 15.7 0.7
305 -3 5 4 41.274 82.547 0.428 3.11 2 15.2 0.7
306 3 1 5 41.302 82.604 0.428 3.11 2 31.6 3.0
307 -4 0 5 41.388 82.776 0.429 3.1 2 29.3 2.6
308 4 2 2 41.481 82.961 0.43 3.09 2 25.7 2.0
309 0 -4 7 41.499 82.998 0.43 3.09 2 18.8 1.1
310 1 -3 7 41.628 83.256 0.431 3.07 2 3.4 0.0
311 1 7 3 41.912 83.825 0.434 3.05 2 25.6 1.9
312 -3 -1 7 42.077 84.153 0.435 3.03 2 11.4 0.4
313 0 8 0 42.207 84.413 0.436 3.02 2 2.0 0.0
314 -4 4 1 42.212 84.423 0.436 3.02 2 2.4 0.0
315 1 3 7 42.216 84.432 0.436 3.02 2 16.7 0.8
316 -3 1 7 42.221 84.443 0.436 3.02 2 20.5 1.2
317 0 4 7 42.232 84.464 0.436 3.02 2 25.7 1.9
318 -4 -4 1 42.312 84.624 0.437 3.01 2 2.8 0.0
319 -1 -7 4 42.365 84.729 0.437 3.01 2 7.2 0.1
320 0 -8 1 42.493 84.985 0.438 2.99 2 3.7 0.0
321 -4 -4 2 42.493 84.986 0.438 2.99 2 6.3 0.1
322 -4 4 2 42.497 84.995 0.439 2.99 2 11.3 0.4
323 -2 0 8 42.499 84.998 0.439 2.99 2 22.1 1.4
324 0 -2 8 42.646 85.292 0.44 2.98 2 19.0 1.0
325 4 0 3 42.646 85.292 0.44 2.98 2 118.2 40.5
326 1 -5 6 42.679 85.358 0.44 2.98 2 6.7 0.1
327 0 8 1 42.702 85.403 0.44 2.98 2 12.1 0.4
328 -4 4 0 42.707 85.413 0.44 2.98 2 8.6 0.2
329 4 4 0 42.911 85.823 0.442 2.96 2 12.4 0.4
330 -4 -2 5 42.933 85.866 0.442 2.96 2 28.2 2.3
331 -2 -6 5 42.967 85.935 0.442 2.96 2 115.9 38.6
332 -1 7 4 43.006 86.012 0.443 2.95 2 6.1 0.1
333 3 -5 3 43.009 86.019 0.443 2.95 2 15.3 0.7
334 0 2 8 43.063 86.126 0.443 2.95 2 10.0 0.3
335 -4 2 5 43.091 86.183 0.443 2.95 2 16.7 0.8
336 -2 -4 7 43.287 86.573 0.445 2.93 2 24.1 1.7
337 -4 -4 3 43.454 86.908 0.446 2.92 2 17.7 0.9
338 1 5 6 43.525 87.051 0.447 2.92 2 17.4 0.9
339 0 -8 2 43.558 87.116 0.447 2.91 2 20.0 1.1
340 -4 4 3 43.562 87.124 0.447 2.91 2 9.4 0.3
341 3 5 3 43.592 87.184 0.448 2.91 2 38.3 4.1
342 -2 6 5 43.596 87.192 0.448 2.91 2 105.3 31.4
343 2 -6 4 43.597 87.195 0.448 2.91 2 45.7 5.9
344 2 0 7 43.675 87.35 0.448 2.91 2 23.0 1.5
345 -3 -5 5 43.689 87.378 0.448 2.9 2 18.9 1.0
346 -2 4 7 43.914 87.828 0.45 2.89 2 6.6 0.1
347 -2 -2 8 43.936 87.871 0.45 2.89 2 55.4 8.6
348 -1 -3 8 43.965 87.93 0.451 2.89 2 22.2 1.4
349 0 8 2 43.974 87.949 0.451 2.89 2 1.6 0.0
350 4 -4 1 43.98 87.96 0.451 2.89 2 19.6 1.1
351 4 -2 3 44.136 88.272 0.452 2.88 2 12.8 0.5
352 1 -7 4 44.147 88.294 0.452 2.88 2 2.2 0.0
353 -3 5 5 44.148 88.297 0.452 2.88 2 12.9 0.5
354 3 -3 5 44.208 88.416 0.453 2.87 2 1.7 0.0
355 2 -4 6 44.254 88.509 0.453 2.87 2 14.6 0.6
356 4 4 1 44.288 88.576 0.453 2.87 2 7.9 0.2
357 -2 2 8 44.301 88.602 0.453 2.87 2 42.7 5.1
358 2 6 4 44.375 88.751 0.454 2.86 2 71.0 14.0
359 4 2 3 44.394 88.788 0.454 2.86 2 11.2 0.3
360 0 -6 6 44.429 88.858 0.454 2.86 2 2.7 0.0
361 -1 3 8 44.551 89.102 0.455 2.85 2 17.5 0.8
362 1 -1 8 44.652 89.304 0.456 2.85 2 14.0 0.5
363 -1 -5 7 44.7 89.4 0.457 2.84 2 28.5 2.2
364 3 3 5 44.713 89.426 0.457 2.84 2 10.1 0.3
365 -4 0 6 44.741 89.482 0.457 2.84 2 79.1 17.3
366 1 1 8 44.873 89.746 0.458 2.83 2 0.2 0.0
367 1 7 4 44.965 89.93 0.459 2.83 2 17.5 0.8
368 2 4 6 44.981 89.962 0.459 2.83 2 18.8 1.0
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 4.726 9.451 9.34981 960.9 100.0 100.0 5.6
2 0 0 2 9.484 18.968 4.6749 122.1 12.7 12.6 5.6
3 0 2 0 9.669 19.337 4.58632 104.9 10.9 10.8 5.6
4 -1 1 0 9.762 19.525 4.54278 242.5 25.2 25.1 5.6
5 1 1 0 9.8 19.601 4.52529 289.6 30.1 30.0 5.6
6 -1 -1 1 10.216 20.432 4.34295 173.6 18.1 17.9 5.6
7 0 -2 1 10.711 21.422 4.1446 286.7 29.8 29.6 5.6
8 0 2 1 10.852 21.705 4.09116 79.1 8.2 8.2 5.6
9 1 -1 1 11.447 22.894 3.88124 170.5 17.7 17.6 5.6
10 -1 -1 2 12.591 25.181 3.53368 20.6 2.1 2.1 5.6
11 -1 1 2 12.683 25.365 3.50846 154.5 16.1 15.9 5.6
12 0 2 2 13.721 27.443 3.24736 123.1 12.8 12.7 5.6
13 0 0 3 14.309 28.618 3.1166 604.1 62.9 62.1 5.6
14 1 1 2 14.739 29.478 3.02761 92.6 9.6 9.5 5.6
15 -1 -1 3 16.126 32.253 2.77321 79.6 8.3 8.2 5.6
16 -1 1 3 16.248 32.497 2.75295 23.9 2.5 2.5 5.6
17 -1 3 0 16.945 33.89 2.64291 25.6 2.7 2.6 5.7
18 -2 0 1 17.041 34.081 2.62851 120.4 12.5 12.3 5.7
19 2 0 0 17.18 34.359 2.60787 86.5 9.0 8.8 5.7
20 -1 -3 1 17.22 34.44 2.60192 89.2 9.3 9.1 5.7
21 0 -2 3 17.249 34.499 2.59764 44.0 4.6 4.5 5.7
22 -1 3 1 17.29 34.581 2.59167 98.3 10.2 10.0 5.7
23 1 -3 1 17.964 35.929 2.49746 308.3 32.1 31.5 5.7
24 1 3 1 18.162 36.323 2.47123 315.5 32.8 32.2 5.7
25 -2 0 2 18.251 36.503 2.45948 317.4 33.0 32.4 5.7
26 1 -1 3 18.567 37.133 2.41917 42.6 4.4 4.3 5.7
27 1 1 3 18.717 37.433 2.40048 20.1 2.1 2.0 5.7
28 -2 -2 1 19.74 39.48 2.28062 11.3 1.2 1.2 5.7
29 1 -3 2 20.169 40.338 2.23403 121.3 12.6 12.3 5.7
30 0 4 1 20.314 40.628 2.21875 11.1 1.2 1.1 5.7
31 1 3 2 20.468 40.935 2.20283 101.3 10.5 10.3 5.7
32 -2 0 3 20.607 41.214 2.18859 89.1 9.3 9.0 5.7
33 -2 2 2 20.857 41.713 2.16353 11.0 1.1 1.1 5.7
34 2 0 2 21.193 42.387 2.13068 85.4 8.9 8.7 5.7
35 -1 -3 3 21.34 42.68 2.11672 82.8 8.6 8.4 5.7
36 0 -2 4 21.556 43.111 2.09654 13.8 1.4 1.4 5.7
37 -1 3 3 21.627 43.255 2.08991 77.4 8.1 7.8 5.7
38 0 2 4 21.859 43.717 2.06889 13.9 1.4 1.4 5.7
39 0 4 2 22.121 44.241 2.04558 19.3 2.0 2.0 5.7
40 -2 2 3 23.026 46.052 1.96929 22.8 2.4 2.3 5.7
41 1 -3 3 23.281 46.562 1.9489 29.4 3.1 3.0 5.7
42 2 -2 2 23.386 46.772 1.94062 19.8 2.1 2.0 5.7
43 1 3 3 23.654 47.307 1.9199 27.9 2.9 2.8 5.7
44 -2 0 4 23.829 47.659 1.90656 28.3 2.9 2.8 5.7
45 0 0 5 24.326 48.651 1.86996 42.1 4.4 4.2 5.7
46 0 -4 3 24.441 48.882 1.86169 21.3 2.2 2.1 5.7
47 -1 1 5 25.043 50.087 1.81968 10.6 1.1 1.1 5.7
48 -2 -2 4 25.847 51.693 1.76684 11.6 1.2 1.2 5.8
49 -1 5 0 26.389 52.779 1.73304 17.8 1.9 1.8 5.8
50 -3 -1 1 26.422 52.845 1.73102 10.3 1.1 1.0 5.8
51 -2 4 1 26.474 52.947 1.72791 40.3 4.2 4.0 5.8
52 -2 4 0 26.506 53.013 1.72593 16.1 1.7 1.6 5.8
53 0 2 5 26.576 53.153 1.72172 10.8 1.1 1.1 5.8
54 -1 5 1 26.665 53.33 1.71641 11.0 1.1 1.1 5.8
55 2 2 3 26.765 53.53 1.71047 32.4 3.4 3.2 5.8
56 3 1 0 26.828 53.655 1.70677 16.3 1.7 1.6 5.8
57 -3 1 2 27.004 54.007 1.69648 15.8 1.6 1.6 5.8
58 1 -3 4 27.072 54.143 1.69254 87.6 9.1 8.8 5.8
59 -2 -4 2 27.274 54.548 1.68092 11.6 1.2 1.2 5.8
60 1 5 1 27.321 54.643 1.67824 13.5 1.4 1.3 5.8
61 1 3 4 27.502 55.003 1.66809 97.7 10.2 9.8 5.8
62 -1 -5 2 27.652 55.304 1.65972 19.0 2.0 1.9 5.8
63 -2 0 5 27.706 55.412 1.65676 94.5 9.8 9.4 5.8
64 2 4 1 27.751 55.502 1.65428 12.4 1.3 1.2 5.8
65 3 -1 1 28.096 56.193 1.63556 11.2 1.2 1.1 5.8
66 -3 -1 3 28.481 56.962 1.6153 11.5 1.2 1.1 5.8
67 1 -5 2 28.698 57.396 1.60411 11.0 1.1 1.1 5.8
68 -1 3 5 29.176 58.352 1.58008 13.6 1.4 1.4 5.8
69 -2 4 3 29.236 58.471 1.57715 10.8 1.1 1.1 5.8
70 -2 -2 5 29.504 59.008 1.56406 17.0 1.8 1.7 5.8
71 0 0 6 29.624 59.248 1.5583 25.4 2.6 2.5 5.8
72 -1 5 3 29.988 59.975 1.54113 12.3 1.3 1.2 5.8
73 0 6 0 30.255 60.511 1.52877 217.6 22.6 21.6 5.8
74 -3 -3 1 30.306 60.612 1.52646 113.9 11.9 11.3 5.8
75 3 1 2 30.378 60.757 1.52318 11.3 1.2 1.1 5.8
76 -3 3 0 30.576 61.153 1.51426 46.7 4.9 4.6 5.8
77 0 -6 1 30.611 61.222 1.5127 34.1 3.5 3.4 5.8
78 3 3 0 30.707 61.414 1.50843 27.0 2.8 2.7 5.8
79 -3 -3 2 30.794 61.588 1.5046 38.9 4.0 3.9 5.8
80 -3 3 2 30.841 61.682 1.50253 14.0 1.5 1.4 5.8
81 1 -3 5 31.41 62.819 1.47803 25.3 2.6 2.5 5.9
82 -2 -4 4 31.52 63.04 1.47338 10.2 1.1 1.0 5.9
83 1 3 5 31.889 63.778 1.45809 21.5 2.2 2.1 5.9
84 -2 0 6 32.118 64.236 1.4488 13.6 1.4 1.3 5.9
85 0 4 5 32.396 64.793 1.4377 14.5 1.5 1.4 5.9
86 2 0 5 33.066 66.132 1.41179 108.9 11.3 10.7 5.9
87 -1 -3 6 33.299 66.598 1.40304 110.0 11.4 10.8 5.9
88 -1 3 6 33.766 67.532 1.38589 113.9 11.9 11.2 5.9
89 0 -6 3 33.887 67.774 1.38153 10.2 1.1 1.0 5.9
90 -2 2 6 34.028 68.057 1.37647 17.6 1.8 1.7 5.9
91 3 3 2 34.064 68.128 1.37521 9.7 1.0 0.9 5.9
92 -3 -3 4 34.31 68.62 1.36655 12.3 1.3 1.2 5.9
93 0 6 3 34.391 68.782 1.36372 14.0 1.5 1.4 5.9
94 -3 3 4 34.522 69.043 1.3592 14.6 1.5 1.4 5.9
95 2 -2 5 34.645 69.289 1.35497 13.7 1.4 1.3 5.9
96 0 0 7 35.218 70.436 1.33569 24.2 2.5 2.4 5.9
97 -2 6 0 35.655 71.31 1.32145 56.6 5.9 5.5 5.9
98 2 6 0 35.816 71.633 1.31629 31.2 3.2 3.0 5.9
99 -4 0 2 35.88 71.761 1.31426 24.5 2.5 2.4 5.9
100 4 0 0 36.209 72.418 1.30394 79.3 8.3 7.7 5.9
101 1 -3 6 36.25 72.501 1.30266 10.5 1.1 1.0 5.9
102 -2 -6 2 36.305 72.61 1.30096 72.9 7.6 7.1 6.0
103 0 -4 6 36.375 72.749 1.29882 12.9 1.3 1.3 6.0
104 -2 6 2 36.472 72.944 1.29583 57.0 5.9 5.5 6.0
105 3 -3 3 36.54 73.081 1.29375 9.8 1.0 1.0 6.0
106 2 6 1 36.795 73.59 1.28604 27.0 2.8 2.6 6.0
107 -4 0 3 36.938 73.876 1.28177 19.4 2.0 1.9 6.0
108 -2 0 7 37.034 74.068 1.27892 17.4 1.8 1.7 6.0
109 -1 7 0 37.262 74.523 1.27223 13.0 1.4 1.3 6.0
110 1 7 0 37.354 74.708 1.26954 13.1 1.4 1.3 6.0
111 -3 -5 2 37.743 75.485 1.25839 11.0 1.1 1.1 6.0
112 2 -6 2 38.086 76.173 1.24873 35.8 3.7 3.5 6.0
113 -1 -3 7 38.345 76.689 1.2416 12.5 1.3 1.2 6.0
114 2 6 2 38.565 77.129 1.23562 27.8 2.9 2.7 6.0
115 4 -2 1 39.168 78.337 1.21956 10.9 1.1 1.0 6.0
116 2 2 6 39.924 79.848 1.20024 14.4 1.5 1.4 6.0
117 -2 6 4 40.467 80.934 1.18686 31.4 3.3 3.0 6.1
118 4 0 3 42.646 85.292 1.137 41.5 4.3 3.9 6.1
119 -2 -6 5 42.967 85.935 1.13013 38.6 4.0 3.6 6.1
120 2 -6 4 43.597 87.195 1.11702 41.4 4.3 3.9 6.2
121 -2 -2 8 43.936 87.871 1.11015 10.0 1.0 0.9 6.2
122 2 6 4 44.375 88.751 1.10141 14.4 1.5 1.3 6.2
123 -4 0 6 44.741 89.482 1.0943 17.3 1.8 1.6 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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