Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
TSCHERMAKITE
1, f-amphiboles, sf-Ca-amphiboles, s-hornblende, DF
Ca(2)Mg(3)(Al,Fe)(2)[Al(2)Si(6)]O(22)(OH)(2)
Monoclinic C 2/m Z = 2
C2/m
8 .8 .16
Ref.Str.:
Abdu Y.A., Hawthorne F.C. (2009)
* Canad. Mineral., 47, 917-926
L: $Na0.88 K0.1 Mg3.66 Fe0.47 Al2.37 Cr0.2 Ca1.8 Si6.44 O24 H2$
R: Locality - Fiskenaesset, Greenland.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.8059 alpha = 90.0
b = 17.9721 beta = 105.06
c = 5.3012 gamma = 90.0
Unit cell volume (cub. angs.) = 902.14
Molar volume ( cub.cm/mol.) = 271.7
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.972 0.0 0.0 Na = 0.28, Na = 0.0
2 0.521 0.0 0.056 0.0 Na = 0.13, K = 0.05
3 0.0 0.089 0.5 0.0 Mg = 0.93, Fe = 0.07
4 0.0 0.1763 0.0 0.0 Mg = 0.48, Al = 0.38, Cr = 0.1 , Fe = 0.04
5 0.0 0.0 0.0 0.0 Mg = 0.84, Al = 0.05, Fe = 0.11
6 0.0 0.2794 0.5 0.0 Ca = 0.9 , Na = 0.03, Fe = 0.07
7 0.2811 0.0857 0.3017 0.0 Si = 0.67, Al = 0.33
8 0.2914 0.1733 0.8136 0.0 Si = 0.94, Al = 0.06
9 0.1066 0.0894 0.2136 0.0 O = 1.00
10 0.1189 0.1736 0.7357 0.0 O = 1.00
11 0.11 0.0 0.7146 0.0 O = 1.00
12 0.3684 0.251 0.7918 0.0 O = 1.00
13 0.351 0.1402 0.1114 0.0 O = 1.00
14 0.3433 0.1183 0.6045 0.0 O = 1.00
15 0.3368 0.0 0.2809 0.0 O = 1.00
16 0.213 0.0 0.782 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.972 0.0
2 2 0.521 0.0 0.056
3 3 0.0 0.089 0.5
4 4 0.0 0.1763 0.0
5 5 0.0 0.0 0.0
6 6 0.0 0.2794 0.5
7 7 0.2811 0.0857 0.3017
8 8 0.2914 0.1733 0.8136
9 9 0.1066 0.0894 0.2136
10 10 0.1189 0.1736 0.7357
11 11 0.11 0.0 0.7146
12 12 0.3684 0.251 0.7918
13 13 0.351 0.1402 0.1114
14 14 0.3433 0.1183 0.6045
15 15 0.3368 0.0 0.2809
16 16 0.213 0.0 0.782
17 1 0.5 0.028 0.0
18 2 0.479 0.0 0.944
19 3 0.0 0.911 0.5
20 4 0.0 0.8237 0.0
21 6 0.0 0.7206 0.5
22 7 0.7189 0.9143 0.6983
23 8 0.7086 0.8267 0.1864
24 9 0.8934 0.9106 0.7864
25 10 0.8811 0.8264 0.2643
26 11 0.89 0.0 0.2854
27 12 0.6316 0.749 0.2082
28 13 0.649 0.8598 0.8886
29 14 0.6567 0.8817 0.3955
30 15 0.6632 0.0 0.7191
31 16 0.787 0.0 0.218
32 7 0.2811 0.9143 0.3017
33 8 0.2914 0.8267 0.8136
34 9 0.1066 0.9106 0.2136
35 10 0.1189 0.8264 0.7357
36 12 0.3684 0.749 0.7918
37 13 0.351 0.8598 0.1114
38 14 0.3433 0.8817 0.6045
39 7 0.7189 0.0857 0.6983
40 8 0.7086 0.1733 0.1864
41 9 0.8934 0.0894 0.7864
42 10 0.8811 0.1736 0.2643
43 12 0.6316 0.251 0.2082
44 13 0.649 0.1402 0.8886
45 14 0.6567 0.1183 0.3955
46 1 0.0 0.528 0.0
47 2 0.021 0.5 0.056
48 3 0.5 0.411 0.5
49 4 0.5 0.3237 0.0
50 5 0.5 0.5 0.0
51 6 0.5 0.2206 0.5
52 7 0.7811 0.4143 0.3017
53 8 0.7914 0.3267 0.8136
54 9 0.6066 0.4106 0.2136
55 10 0.6189 0.3264 0.7357
56 11 0.61 0.5 0.7146
57 12 0.8684 0.249 0.7918
58 13 0.851 0.3598 0.1114
59 14 0.8433 0.3817 0.6045
60 15 0.8368 0.5 0.2809
61 16 0.713 0.5 0.782
62 1 0.0 0.472 0.0
63 2 0.979 0.5 0.944
64 3 0.5 0.589 0.5
65 4 0.5 0.6763 0.0
66 6 0.5 0.7794 0.5
67 7 0.2189 0.5857 0.6983
68 8 0.2086 0.6733 0.1864
69 9 0.3934 0.5894 0.7864
70 10 0.3811 0.6736 0.2643
71 11 0.39 0.5 0.2854
72 12 0.1316 0.751 0.2082
73 13 0.149 0.6402 0.8886
74 14 0.1567 0.6183 0.3955
75 15 0.1632 0.5 0.7191
76 16 0.287 0.5 0.218
77 7 0.7811 0.5857 0.3017
78 8 0.7914 0.6733 0.8136
79 9 0.6066 0.5894 0.2136
80 10 0.6189 0.6736 0.7357
81 12 0.8684 0.751 0.7918
82 13 0.851 0.6402 0.1114
83 14 0.8433 0.6183 0.6045
84 7 0.2189 0.4143 0.6983
85 8 0.2086 0.3267 0.1864
86 9 0.3934 0.4106 0.7864
87 10 0.3811 0.3264 0.2643
88 12 0.1316 0.249 0.2082
89 13 0.149 0.3598 0.8886
90 14 0.1567 0.3817 0.3955
X-ray density (g/cm cub.) = 3.14
MU (1/cm) = 215.094 Mass attenuation coefficient (cm**2/g) = 68.544
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Na 2.808 6
2.5041 15
2.6457 13
2.7778 14
2.5041 15
2.6457 13
2.7778 14
2 Na ,K 3.228 8
3.0774 13
2.409 15
3.0483 13
2.8784 14
2.5354 15
3.0774 13
3.0483 13
2.8784 14
3 Mg ,Fe 2.592 6
2.0549 9
2.1156 10
2.0923 11
2.0923 11
2.0549 9
2.1156 10
4 Mg ,Al ,Cr ,Fe 2.628 6
2.0491 9
2.043 10
2.0491 9
2.043 10
1.9622 12
1.9622 12
5 Mg ,Al ,Fe 2.592 6
2.0835 9
2.0738 11
2.0835 9
2.0738 11
2.0835 9
2.0835 9
6 Ca ,Na ,Fe 2.88 8
2.4039 10
2.4039 10
2.3225 12
2.6273 13
2.5477 14
2.3225 12
2.6273 13
2.5477 14
7 Si ,Al 2.316 4
1.6538 9
1.675 13
1.6683 14
1.6473 15
8 Si ,Al 2.316 4
1.6336 10
1.6065 12
1.6453 13
1.6603 14
9 O 3.264 12
3.1291 10
2.9802 10
3.0969 11
3.1026 11
2.7464 13
2.7297 14
2.7177 15
2.7672 11
3.2134 9
2.653 9
2.7497 10
2.8796 12
10 O 3.264 11
2.9802 9
3.1291 9
3.1224 11
2.7624 12
2.6738 13
2.6663 14
2.7497 9
2.9417 10
2.8876 12
2.822 12
3.1389 12
11 O 3.264 10
3.1026 9
3.0969 9
3.1224 10
3.2386 15
2.7672 9
2.698 11
3.1026 9
3.0969 9
3.1224 10
2.7672 9
12 O 3.264 9
2.7624 10
2.6487 13
2.5704 14
2.9279 12
2.8876 10
2.8796 9
2.822 10
3.1389 10
3.0474 13
13 O 3.264 8
2.7464 9
2.6738 10
2.6487 12
2.6638 14
2.6975 14
2.6908 15
3.0108 14
3.0474 12
14 O 3.264 7
2.7297 9
2.6663 10
2.5704 12
2.6975 13
2.6638 13
2.7222 15
3.0108 13
15 O 3.264 7
2.7177 9
3.2386 11
2.6908 13
2.7222 14
2.7177 9
2.6908 13
2.7222 14
16 H 1.632 1
0.98 11
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 0 2 0 5.713 11.425 0.056 198.89 2 58.6 167.9
2 1 1 0 6.129 12.258 0.06 172.47 4 49.7 209.1
3 0 0 1 10.063 20.126 0.098 62.59 2 5.9 0.5
4 1 3 0 10.176 20.353 0.099 61.16 4 24.7 18.3
5 1 1 -1 10.523 21.046 0.102 57.06 4 56.8 90.4
6 2 0 0 10.89 21.78 0.106 53.13 2 0.3 0.0
7 0 4 0 11.483 22.966 0.111 47.58 2 80.8 76.4
8 0 2 1 11.601 23.202 0.112 46.57 4 7.5 1.3
9 2 2 0 12.33 24.66 0.119 40.99 4 27.2 14.9
10 2 0 -1 12.798 25.595 0.124 37.9 2 14.3 1.9
11 1 1 1 12.988 25.976 0.126 36.74 4 36.2 23.6
12 1 3 -1 13.331 26.663 0.129 34.77 4 48.8 40.7
13 2 2 -1 14.055 28.109 0.136 31.08 4 12.2 2.3
14 0 4 1 15.36 30.72 0.148 25.7 4 7.0 0.6
15 1 3 1 15.378 30.757 0.148 25.64 4 150.5 285.6
16 1 5 0 15.437 30.873 0.149 25.43 4 20.2 5.1
17 2 4 0 15.929 31.859 0.153 23.77 4 125.4 183.8
18 3 1 0 16.722 33.443 0.161 21.39 4 158.7 264.9
19 2 0 1 16.784 33.567 0.161 21.22 2 24.6 3.2
20 3 1 -1 17.214 34.428 0.165 20.09 4 37.9 14.2
21 2 4 -1 17.327 34.654 0.166 19.8 4 14.4 2.0
22 0 6 0 17.375 34.749 0.167 19.68 2 23.3 2.6
23 1 5 -1 17.736 35.472 0.17 18.82 4 56.6 29.6
24 2 2 1 17.784 35.568 0.171 18.71 4 155.7 222.8
25 3 3 0 18.682 37.364 0.179 16.79 4 92.2 70.2
26 3 3 -1 19.13 38.26 0.183 15.93 4 137.0 146.9
27 1 5 1 19.366 38.732 0.185 15.51 4 236.1 424.7
28 1 1 -2 19.945 39.891 0.191 14.52 4 3.4 0.1
29 0 6 1 20.242 40.483 0.193 14.05 4 181.4 227.3
30 0 0 2 20.454 40.909 0.195 13.73 2 91.6 28.3
31 2 4 1 20.532 41.064 0.196 13.62 4 0.2 0.0
32 2 0 -2 20.575 41.149 0.196 13.55 2 298.2 296.2
33 2 6 0 20.693 41.386 0.198 13.38 4 2.2 0.0
34 1 7 0 21.159 42.319 0.202 12.73 4 1.0 0.0
35 0 2 2 21.307 42.614 0.203 12.53 4 22.9 3.2
36 2 2 -2 21.423 42.846 0.204 12.38 4 29.2 5.2
37 1 3 -2 21.656 43.312 0.206 12.08 4 9.0 0.5
38 2 6 -1 21.827 43.654 0.208 11.87 4 51.2 15.3
39 4 0 -1 21.889 43.778 0.208 11.8 2 29.3 2.5
40 3 1 1 21.894 43.789 0.208 11.79 4 15.2 1.3
41 3 5 0 22.156 44.313 0.211 11.48 4 85.5 41.2
42 4 0 0 22.2 44.401 0.211 11.43 2 38.3 4.1
43 3 5 -1 22.547 45.094 0.214 11.03 4 177.6 171.0
44 4 2 -1 22.698 45.395 0.216 10.87 4 132.4 93.7
45 1 1 2 22.841 45.682 0.217 10.72 4 13.1 0.9
46 1 7 -1 22.966 45.933 0.218 10.58 4 119.3 74.0
47 4 2 0 23.001 46.001 0.218 10.55 4 0.1 0.0
48 3 1 -2 23.061 46.122 0.219 10.49 4 116.0 69.3
49 0 8 0 23.463 46.926 0.223 10.08 2 20.4 1.0
50 3 3 1 23.49 46.979 0.223 10.06 4 50.2 12.4
51 0 4 2 23.715 47.43 0.225 9.84 4 32.8 5.2
52 2 4 -2 23.822 47.644 0.226 9.74 4 93.6 41.9
53 1 7 1 24.305 48.609 0.23 9.31 4 44.9 9.2
54 1 3 2 24.388 48.776 0.231 9.24 4 20.1 1.8
55 2 6 1 24.544 49.088 0.232 9.1 4 186.2 155.1
56 3 3 -2 24.597 49.194 0.233 9.06 4 73.7 24.2
57 1 5 -2 24.791 49.581 0.234 8.9 4 75.3 24.8
58 4 4 -1 25.001 50.002 0.236 8.73 4 1.8 0.0
59 4 4 0 25.283 50.565 0.239 8.51 4 23.1 2.2
60 0 8 1 25.773 51.546 0.243 8.15 4 19.4 1.5
61 2 0 2 25.997 51.995 0.245 7.99 2 217.6 92.9
62 2 8 0 26.149 52.298 0.246 7.88 4 25.6 2.5
63 4 0 -2 26.296 52.593 0.248 7.78 2 188.2 67.7
64 3 5 1 26.458 52.915 0.249 7.67 4 139.0 72.9
65 3 7 0 26.685 53.37 0.251 7.52 4 89.3 29.5
66 2 2 2 26.711 53.422 0.251 7.51 4 20.0 1.5
67 4 2 -2 27.004 54.009 0.254 7.32 4 30.6 3.4
68 3 7 -1 27.026 54.052 0.254 7.31 4 33.1 3.9
69 2 8 -1 27.105 54.21 0.255 7.26 4 22.7 1.8
70 4 0 1 27.107 54.213 0.255 7.26 2 33.6 2.0
71 1 9 0 27.244 54.487 0.256 7.18 4 72.5 18.6
72 1 5 2 27.284 54.568 0.256 7.15 4 5.6 0.1
73 0 6 2 27.366 54.732 0.257 7.11 4 7.4 0.2
74 2 6 -2 27.462 54.925 0.258 7.05 4 12.0 0.5
75 3 5 -2 27.477 54.954 0.258 7.04 4 70.3 17.1
76 5 1 -1 27.499 54.997 0.258 7.03 4 25.1 2.2
77 4 2 1 27.801 55.601 0.261 6.86 4 33.0 3.7
78 5 1 0 28.355 56.709 0.265 6.56 4 110.8 39.6
79 4 6 -1 28.533 57.065 0.267 6.46 4 62.8 12.5
80 1 9 -1 28.761 57.522 0.269 6.35 4 127.5 50.7
81 2 4 2 28.778 57.556 0.269 6.34 4 54.5 9.3
82 4 6 0 28.79 57.58 0.269 6.33 4 12.1 0.5
83 5 3 -1 28.862 57.725 0.27 6.3 4 37.7 4.4
84 1 7 -2 29.015 58.03 0.271 6.22 4 90.5 25.1
85 4 4 -2 29.058 58.115 0.271 6.2 4 78.7 18.9
86 2 8 1 29.462 58.923 0.275 6.01 4 0.3 0.0
87 5 3 0 29.693 59.386 0.277 5.91 4 74.6 16.2
88 4 4 1 29.818 59.635 0.278 5.85 4 13.6 0.5
89 0 10 0 29.848 59.695 0.278 5.84 2 110.7 17.6
90 1 9 1 29.912 59.824 0.279 5.81 4 33.5 3.2
91 3 1 2 30.421 60.841 0.283 5.6 4 51.7 7.4
92 3 7 1 30.523 61.046 0.284 5.56 4 0.5 0.0
93 2 0 -3 30.592 61.184 0.284 5.53 2 5.0 0.0
94 1 1 -3 30.686 61.372 0.285 5.49 4 36.9 3.7
95 5 1 -2 30.781 61.561 0.286 5.45 4 82.9 18.4
96 2 2 -3 31.236 62.472 0.29 5.28 4 17.8 0.8
97 1 7 2 31.279 62.558 0.29 5.26 4 18.2 0.9
98 3 7 -2 31.457 62.913 0.292 5.2 4 39.9 4.1
99 5 5 -1 31.476 62.953 0.292 5.19 4 33.8 2.9
100 0 0 3 31.614 63.228 0.293 5.14 2 46.6 2.7
101 3 3 2 31.705 63.41 0.294 5.11 4 37.3 3.5
102 0 10 1 31.835 63.67 0.295 5.06 4 70.7 12.4
103 1 3 -3 31.965 63.929 0.296 5.02 4 118.3 34.5
104 3 1 -3 31.971 63.941 0.296 5.02 4 37.8 3.5
105 0 8 2 31.99 63.979 0.296 5.01 4 28.3 2.0
106 3 9 0 32.008 64.017 0.296 5.0 4 46.2 5.3
107 2 6 2 32.031 64.062 0.296 5.0 4 15.9 0.6
108 5 3 -2 32.057 64.114 0.297 4.99 4 4.2 0.0
109 2 8 -2 32.077 64.155 0.297 4.98 4 104.3 26.6
110 2 10 0 32.164 64.328 0.298 4.95 4 36.5 3.2
111 0 2 3 32.246 64.493 0.298 4.92 4 128.9 40.2
112 5 5 0 32.266 64.533 0.298 4.92 4 33.3 2.7
113 4 6 -2 32.294 64.588 0.299 4.91 4 5.9 0.1
114 3 9 -1 32.313 64.626 0.299 4.9 4 57.8 8.1
115 2 10 -1 33.008 66.017 0.305 4.68 4 15.2 0.5
116 4 6 1 33.01 66.02 0.305 4.68 4 231.6 123.5
117 4 8 -1 33.055 66.11 0.305 4.67 4 13.3 0.4
118 2 4 -3 33.125 66.25 0.305 4.65 4 15.0 0.5
119 5 1 1 33.147 66.294 0.306 4.64 4 4.6 0.0
120 3 3 -3 33.222 66.443 0.306 4.62 4 4.8 0.1
121 6 0 -1 33.229 66.458 0.306 4.62 2 14.3 0.2
122 4 8 0 33.292 66.584 0.307 4.6 4 116.8 30.8
123 1 11 0 33.749 67.498 0.311 4.47 4 164.2 59.2
124 6 2 -1 33.845 67.691 0.311 4.44 4 17.3 0.7
125 1 1 3 33.952 67.904 0.312 4.41 4 25.1 1.4
126 0 4 3 34.106 68.212 0.313 4.37 4 0.6 0.0
127 1 9 -2 34.113 68.226 0.313 4.37 4 1.2 0.0
128 4 0 -3 34.118 68.235 0.314 4.37 2 6.2 0.0
129 3 5 2 34.193 68.387 0.314 4.35 4 23.4 1.2
130 5 3 1 34.376 68.752 0.316 4.3 4 19.3 0.8
131 1 5 -3 34.443 68.886 0.316 4.28 4 228.1 109.5
132 6 0 0 34.526 69.051 0.317 4.26 2 155.0 25.1
133 5 5 -2 34.532 69.064 0.317 4.26 4 15.4 0.5
134 4 2 -3 34.726 69.453 0.318 4.21 4 0.4 0.0
135 1 11 -1 35.098 70.195 0.321 4.12 4 18.2 0.7
136 2 10 1 35.127 70.255 0.322 4.11 4 38.9 3.1
137 6 2 0 35.131 70.262 0.322 4.11 4 40.6 3.3
138 1 3 3 35.167 70.334 0.322 4.11 4 20.6 0.9
139 5 7 -1 35.189 70.377 0.322 4.1 4 57.4 6.6
140 4 0 2 35.276 70.552 0.323 4.08 2 194.0 37.7
141 3 9 1 35.5 71.0 0.325 4.03 4 2.1 0.0
142 3 5 -3 35.657 71.313 0.326 3.99 4 40.2 3.2
143 6 4 -1 35.664 71.328 0.326 3.99 4 1.7 0.0
144 6 0 -2 35.693 71.387 0.326 3.99 2 253.3 62.8
145 4 2 2 35.876 71.752 0.328 3.95 4 50.3 4.9
146 5 7 0 35.937 71.874 0.328 3.93 4 56.4 6.2
147 1 11 1 36.136 72.272 0.33 3.89 4 15.5 0.5
148 2 6 -3 36.161 72.322 0.33 3.89 4 255.8 125.0
149 1 9 2 36.202 72.403 0.33 3.88 4 110.2 23.1
150 6 2 -2 36.29 72.58 0.331 3.86 4 13.1 0.3
151 2 8 2 36.311 72.622 0.331 3.85 4 3.0 0.0
152 3 9 -2 36.367 72.734 0.331 3.84 4 54.3 5.6
153 4 4 -3 36.525 73.05 0.333 3.81 4 3.1 0.0
154 4 8 -2 36.558 73.117 0.333 3.8 4 96.3 17.3
155 0 12 0 36.672 73.344 0.334 3.78 2 233.1 50.5
156 5 5 1 36.776 73.552 0.335 3.76 4 116.3 25.0
157 6 4 0 36.921 73.843 0.336 3.73 4 22.9 1.0
158 2 0 3 36.986 73.972 0.336 3.72 2 28.2 0.7
159 0 6 3 37.105 74.211 0.337 3.7 4 46.5 3.9
160 4 8 1 37.236 74.472 0.338 3.68 4 29.6 1.6
161 0 10 2 37.454 74.909 0.34 3.64 4 9.5 0.2
162 2 10 -2 37.536 75.072 0.341 3.62 4 102.9 18.8
163 1 5 3 37.546 75.092 0.341 3.62 4 57.0 5.8
164 5 1 -3 37.563 75.126 0.341 3.62 4 16.9 0.5
165 2 2 3 37.575 75.15 0.341 3.62 4 61.7 6.8
166 4 4 2 37.652 75.304 0.341 3.6 4 97.4 16.8
167 3 7 2 37.778 75.555 0.342 3.58 4 54.8 5.3
168 1 7 -3 38.018 76.035 0.344 3.54 4 77.9 10.6
169 3 11 0 38.058 76.116 0.345 3.53 4 126.4 27.7
170 6 4 -2 38.059 76.118 0.345 3.53 4 86.6 13.0
171 5 7 -2 38.103 76.206 0.345 3.53 4 10.0 0.2
172 3 11 -1 38.341 76.682 0.347 3.49 4 58.2 5.8
173 4 10 -1 38.451 76.901 0.348 3.47 4 43.9 3.3
174 0 12 1 38.482 76.964 0.348 3.47 4 57.7 5.7
175 6 6 -1 38.614 77.228 0.349 3.45 4 310.7 163.6
176 4 10 0 38.673 77.346 0.349 3.44 4 80.0 10.8
177 5 3 -3 38.732 77.463 0.35 3.43 4 82.9 11.6
178 2 12 0 38.785 77.57 0.35 3.42 4 46.5 3.6
179 3 7 -3 39.188 78.375 0.353 3.36 4 44.8 3.3
180 2 4 3 39.324 78.648 0.354 3.34 4 9.9 0.2
181 6 0 1 39.421 78.841 0.355 3.33 2 16.1 0.2
182 4 6 -3 39.452 78.904 0.355 3.33 4 49.6 4.0
183 2 12 -1 39.568 79.135 0.356 3.31 4 32.4 1.7
184 7 1 -1 39.826 79.652 0.358 3.28 4 11.6 0.2
185 6 6 0 39.839 79.677 0.358 3.28 4 42.4 2.9
186 5 9 -1 39.894 79.787 0.359 3.27 4 52.7 4.5
187 6 2 1 39.998 79.996 0.359 3.25 4 71.2 8.1
188 1 11 -2 40.025 80.05 0.36 3.25 4 6.2 0.1
189 2 8 -3 40.253 80.506 0.361 3.22 4 27.8 1.2
190 5 7 1 40.273 80.546 0.361 3.22 4 26.3 1.1
191 4 6 2 40.553 81.106 0.363 3.19 4 25.0 1.0
192 5 9 0 40.612 81.224 0.364 3.18 4 12.3 0.2
193 1 13 0 40.833 81.667 0.366 3.16 4 8.1 0.1
194 6 6 -2 40.952 81.904 0.366 3.14 4 5.8 0.1
195 7 3 -1 40.976 81.953 0.367 3.14 4 38.2 2.3
196 1 7 3 41.023 82.046 0.367 3.14 4 27.1 1.1
197 5 5 -3 41.04 82.079 0.367 3.13 4 135.0 28.1
198 0 8 3 41.167 82.335 0.368 3.12 4 12.6 0.2
199 5 1 2 41.177 82.353 0.368 3.12 4 192.4 56.7
200 3 1 3 41.252 82.504 0.369 3.11 4 1.9 0.0
201 3 11 1 41.34 82.68 0.369 3.1 4 12.8 0.3
202 7 1 0 41.537 83.074 0.371 3.08 4 78.4 9.3
203 2 10 2 41.544 83.088 0.371 3.08 4 51.6 4.0
204 2 12 1 41.558 83.116 0.371 3.08 4 36.0 2.0
205 6 0 -3 41.646 83.291 0.371 3.07 2 11.3 0.1
206 7 1 -2 41.654 83.307 0.372 3.07 4 34.3 1.8
207 6 4 1 41.719 83.439 0.372 3.06 4 7.8 0.1
208 4 10 -2 41.782 83.565 0.372 3.06 4 34.6 1.8
209 1 11 2 42.011 84.021 0.374 3.04 4 177.5 47.0
210 1 13 -1 42.101 84.202 0.375 3.03 4 80.0 9.5
211 3 11 -2 42.169 84.339 0.375 3.02 4 128.2 24.4
212 2 6 3 42.195 84.39 0.375 3.02 4 148.1 32.6
213 6 2 -3 42.217 84.433 0.376 3.02 4 56.4 4.7
214 5 3 2 42.319 84.639 0.376 3.01 4 107.3 17.0
215 3 9 2 42.392 84.784 0.377 3.0 4 17.0 0.4
216 3 3 3 42.395 84.789 0.377 3.0 4 7.9 0.1
217 4 10 1 42.436 84.873 0.377 3.0 4 34.4 1.7
218 2 0 -4 42.45 84.901 0.377 3.0 2 12.5 0.1
219 1 9 -3 42.625 85.251 0.379 2.98 4 75.0 8.3
220 6 8 -1 42.638 85.275 0.379 2.98 4 57.5 4.8
221 7 3 0 42.678 85.357 0.379 2.98 4 50.2 3.7
222 5 9 -2 42.709 85.417 0.379 2.98 4 85.8 10.8
223 7 3 -2 42.794 85.589 0.38 2.97 4 52.4 4.0
224 2 2 -4 43.02 86.04 0.381 2.95 4 22.7 0.7
225 1 1 -4 43.026 86.053 0.381 2.95 4 146.1 31.0
226 1 13 1 43.087 86.175 0.382 2.95 4 64.4 6.0
227 3 1 -4 43.185 86.369 0.383 2.94 4 78.5 8.9
228 7 5 -1 43.259 86.518 0.383 2.93 4 177.2 45.3
229 4 8 -3 43.46 86.919 0.385 2.92 4 1.4 0.0
230 3 9 -3 43.769 87.537 0.387 2.9 4 72.3 7.4
231 0 12 2 43.786 87.571 0.387 2.9 4 136.5 26.5
232 6 8 0 43.84 87.68 0.387 2.89 4 55.5 4.4
233 2 12 -2 43.865 87.729 0.387 2.89 4 209.4 62.3
234 6 4 -3 43.924 87.848 0.388 2.89 4 0.4 0.0
235 1 3 -4 44.163 88.326 0.389 2.87 4 101.1 14.4
236 0 14 0 44.169 88.337 0.389 2.87 2 25.9 0.5
237 3 3 -4 44.321 88.642 0.391 2.86 4 88.1 10.9
238 0 0 4 44.341 88.682 0.391 2.86 2 155.1 16.9
239 5 7 -3 44.458 88.917 0.392 2.86 4 17.5 0.4
240 4 8 2 44.545 89.089 0.392 2.85 4 32.1 1.4
241 6 6 1 44.565 89.13 0.392 2.85 4 84.7 10.1
242 5 5 2 44.594 89.188 0.392 2.85 4 64.6 5.8
243 4 0 -4 44.656 89.313 0.393 2.85 2 202.8 28.8
244 3 5 3 44.669 89.338 0.393 2.85 4 27.4 1.1
245 2 4 -4 44.724 89.449 0.393 2.84 4 27.9 1.1
246 4 12 -1 44.752 89.504 0.394 2.84 4 35.0 1.7
247 5 9 1 44.836 89.672 0.394 2.84 4 34.5 1.7
248 0 2 4 44.909 89.817 0.395 2.83 4 13.1 0.2
249 3 13 0 44.938 89.876 0.395 2.83 4 4.0 0.0
250 6 8 -2 44.939 89.878 0.395 2.83 4 61.8 5.3
251 7 5 0 44.952 89.903 0.395 2.83 4 14.3 0.3
252 4 12 0 44.969 89.938 0.395 2.83 4 44.4 2.7
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 0 2 0 5.713 11.425 8.98605 167.9 39.5 40.4 5.6
2 1 1 0 6.129 12.258 8.37735 209.1 49.2 50.2 5.6
3 1 3 0 10.176 20.353 5.06258 18.3 4.3 4.4 5.6
4 1 1 -1 10.523 21.046 4.89777 90.4 21.3 21.6 5.6
5 0 4 0 11.483 22.966 4.49302 76.4 18.0 18.2 5.6
6 2 2 0 12.33 24.66 4.18868 14.9 3.5 3.6 5.6
7 1 1 1 12.988 25.976 3.9799 23.6 5.6 5.6 5.6
8 1 3 -1 13.331 26.663 3.87914 40.7 9.6 9.7 5.6
9 1 3 1 15.378 30.757 3.3729 285.6 67.2 67.7 5.6
10 1 5 0 15.437 30.873 3.36045 5.1 1.2 1.2 5.6
11 2 4 0 15.929 31.859 3.25907 183.8 43.3 43.5 5.6
12 3 1 0 16.722 33.443 3.10875 264.9 62.4 62.7 5.7
13 3 1 -1 17.214 34.428 3.02246 14.2 3.3 3.4 5.7
14 1 5 -1 17.736 35.472 2.93621 29.6 7.0 7.0 5.7
15 2 2 1 17.784 35.568 2.9285 222.8 52.5 52.6 5.7
16 3 3 0 18.682 37.364 2.79245 70.2 16.5 16.5 5.7
17 3 3 -1 19.13 38.26 2.72941 146.9 34.6 34.6 5.7
18 1 5 1 19.366 38.732 2.69741 424.7 100.0 100.0 5.7
19 0 6 1 20.242 40.483 2.58529 227.3 53.5 53.4 5.7
20 0 0 2 20.454 40.909 2.55953 28.3 6.7 6.6 5.7
21 2 0 -2 20.575 41.149 2.54522 296.2 69.8 69.6 5.7
22 2 2 -2 21.423 42.846 2.44888 5.2 1.2 1.2 5.7
23 2 6 -1 21.827 43.654 2.40574 15.3 3.6 3.6 5.7
24 3 5 0 22.156 44.313 2.37171 41.2 9.7 9.7 5.7
25 3 5 -1 22.547 45.094 2.33272 171.0 40.3 40.0 5.7
26 4 2 -1 22.698 45.395 2.31806 93.7 22.1 21.9 5.7
27 1 7 -1 22.966 45.933 2.29237 74.0 17.4 17.3 5.7
28 3 1 -2 23.061 46.122 2.28348 69.3 16.3 16.2 5.7
29 3 3 1 23.49 46.979 2.2441 13.5 3.2 3.1 5.7
30 0 4 2 23.715 47.43 2.22398 5.2 1.2 1.2 5.7
31 2 4 -2 23.822 47.644 2.21457 41.9 9.9 9.8 5.7
32 1 7 1 24.305 48.609 2.17319 9.2 2.2 2.2 5.7
33 2 6 1 24.544 49.088 2.15328 155.1 36.5 36.1 5.7
34 3 3 -2 24.597 49.194 2.14893 24.2 5.7 5.6 5.7
35 1 5 -2 24.791 49.581 2.13321 24.8 5.8 5.8 5.7
36 2 0 2 25.997 51.995 2.04061 92.9 21.9 21.6 5.8
37 4 0 -2 26.296 52.593 2.01903 67.7 15.9 15.7 5.8
38 3 5 1 26.458 52.915 2.00761 72.9 17.2 16.9 5.8
39 3 7 0 26.685 53.37 1.99172 31.0 7.3 7.2 5.8
40 3 7 -1 27.026 54.052 1.96846 7.3 1.7 1.7 5.8
41 1 9 0 27.244 54.487 1.95392 18.6 4.4 4.3 5.8
42 3 5 -2 27.477 54.954 1.93861 19.3 4.5 4.5 5.8
43 5 1 0 28.355 56.709 1.88337 39.6 9.3 9.1 5.8
44 4 6 -1 28.533 57.065 1.8726 12.5 2.9 2.9 5.8
45 1 9 -1 28.761 57.522 1.85898 60.0 14.1 13.8 5.8
46 5 3 -1 28.862 57.725 1.853 4.4 1.0 1.0 5.8
47 1 7 -2 29.015 58.03 1.8441 25.1 5.9 5.8 5.8
48 4 4 -2 29.058 58.115 1.84163 18.9 4.4 4.3 5.8
49 5 3 0 29.693 59.386 1.80572 16.2 3.8 3.7 5.8
50 0 10 0 29.848 59.695 1.79721 17.6 4.1 4.0 5.8
51 3 1 2 30.421 60.841 1.76651 7.4 1.7 1.7 5.8
52 5 1 -2 30.781 61.561 1.74784 18.4 4.3 4.2 5.8
53 3 7 -2 31.457 62.913 1.71401 7.0 1.6 1.6 5.9
54 0 10 1 31.835 63.67 1.69574 12.4 2.9 2.8 5.9
55 1 3 -3 31.965 63.929 1.68959 40.0 9.4 9.1 5.9
56 3 9 0 32.008 64.017 1.68753 5.9 1.4 1.3 5.9
57 2 8 -2 32.077 64.155 1.68428 26.6 6.3 6.1 5.9
58 0 2 3 32.246 64.493 1.6764 42.9 10.1 9.8 5.9
59 3 9 -1 32.313 64.626 1.67331 8.1 1.9 1.8 5.9
60 4 6 1 33.01 66.02 1.64187 123.5 29.1 28.1 5.9
61 4 8 0 33.292 66.584 1.62953 30.8 7.3 7.0 5.9
62 1 11 0 33.749 67.498 1.61004 59.2 13.9 13.4 5.9
63 1 5 -3 34.443 68.886 1.58147 109.5 25.8 24.8 5.9
64 6 0 0 34.526 69.051 1.57816 25.6 6.0 5.8 5.9
65 6 2 0 35.131 70.262 1.55437 6.4 1.5 1.4 5.9
66 5 7 -1 35.189 70.377 1.55216 6.6 1.6 1.5 5.9
67 4 0 2 35.276 70.552 1.5488 37.7 8.9 8.5 5.9
68 6 0 -2 35.693 71.387 1.53306 62.8 14.8 14.1 5.9
69 4 2 2 35.876 71.752 1.5263 4.9 1.2 1.1 5.9
70 5 7 0 35.937 71.874 1.52404 6.2 1.4 1.4 5.9
71 2 6 -3 36.161 72.322 1.51588 125.0 29.4 28.1 5.9
72 1 9 2 36.202 72.403 1.51442 23.1 5.4 5.2 5.9
73 3 9 -2 36.367 72.734 1.50848 5.6 1.3 1.2 6.0
74 4 8 -2 36.558 73.117 1.50167 17.3 4.1 3.9 6.0
75 0 12 0 36.672 73.344 1.49767 50.5 11.9 11.3 6.0
76 5 5 1 36.776 73.552 1.49403 25.0 5.9 5.6 6.0
77 2 10 -2 37.536 75.072 1.4681 25.1 5.9 5.6 6.0
78 2 2 3 37.575 75.15 1.46681 6.8 1.6 1.5 6.0
79 4 4 2 37.652 75.304 1.46425 16.8 4.0 3.8 6.0
80 3 7 2 37.778 75.555 1.46011 5.3 1.2 1.2 6.0
81 1 7 -3 38.018 76.035 1.45227 10.6 2.5 2.4 6.0
82 3 11 0 38.058 76.116 1.45096 40.8 9.6 9.1 6.0
83 3 11 -1 38.341 76.682 1.44189 5.8 1.4 1.3 6.0
84 0 12 1 38.482 76.964 1.43742 5.7 1.3 1.3 6.0
85 6 6 -1 38.614 77.228 1.43327 163.6 38.5 36.4 6.0
86 4 10 0 38.673 77.346 1.43142 10.8 2.5 2.4 6.0
87 5 3 -3 38.732 77.463 1.4296 11.6 2.7 2.6 6.0
88 5 9 -1 39.894 79.787 1.39462 4.5 1.1 1.0 6.0
89 6 2 1 39.998 79.996 1.39159 8.2 1.9 1.8 6.0
90 5 5 -3 41.04 82.079 1.3623 29.2 6.9 6.4 6.1
91 5 1 2 41.177 82.353 1.35857 56.7 13.4 12.5 6.1
92 7 1 0 41.537 83.074 1.3489 15.3 3.6 3.4 6.1
93 1 11 2 42.011 84.021 1.33647 47.0 11.1 10.3 6.1
94 1 13 -1 42.101 84.202 1.33414 9.5 2.2 2.1 6.1
95 2 6 3 42.195 84.39 1.33173 61.7 14.5 13.5 6.1
96 5 3 2 42.319 84.639 1.32854 17.0 4.0 3.7 6.1
97 1 9 -3 42.625 85.251 1.32082 13.1 3.1 2.9 6.1
98 5 9 -2 42.709 85.417 1.31874 14.5 3.4 3.2 6.1
99 1 1 -4 43.026 86.053 1.31088 31.0 7.3 6.7 6.1
100 1 13 1 43.087 86.175 1.30939 6.0 1.4 1.3 6.1
101 3 1 -4 43.185 86.369 1.30702 8.9 2.1 1.9 6.1
102 7 5 -1 43.259 86.518 1.30521 45.3 10.7 9.9 6.1
103 0 12 2 43.786 87.571 1.29264 34.0 8.0 7.4 6.2
104 2 12 -2 43.865 87.729 1.29079 66.7 15.7 14.5 6.2
105 1 3 -4 44.163 88.326 1.28384 14.9 3.5 3.2 6.2
106 0 0 4 44.341 88.682 1.27976 27.9 6.6 6.0 6.2
107 6 6 1 44.565 89.13 1.27467 17.3 4.1 3.7 6.2
108 4 0 -4 44.656 89.313 1.27261 29.8 7.0 6.4 6.2
109 6 8 -2 44.939 89.878 1.26631 8.3 2.0 1.8 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)
|