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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TREMOLITE
17, at 23.6 GPa, f-amphiboles, sf-Ca-amphiboles, s-hornblende, ss-tremolite
Ca(2)Mg(5)Si(8)O(22)(OH,F)(2)
Monoclinic C 2/m Z = 2
C2/m
14 .4 .24
Ref.Str.:
J.N. Ott, B. Kalkan, M. Kunz, G. Berlanga, A.F. Yuvali, Q. Williams
(2023) * Amer. Mineral., 108, 903-913, doi:10.2138/am-2022-8278
L: $Na0.10 K0.01 Ca2.06 Mg4.93 Al0.13 Si7.88 O22.98 H0.98 F1.02$
R: Locality - Crevoladossola Italy.
A highpressure single-crystal X-ray diffraction study. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.026 alpha = 90.0
b = 16.996 beta = 105.31
c = 5.014 gamma = 90.0
Unit cell volume (cub. angs.) = 741.9
Molar volume ( cub.cm/mol.) = 223.44
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0834 0.5 0.0 Mg = 1.00
2 0.0 0.1711 0.0 0.0 Mg = 1.00
3 0.0 0.0 0.0 0.0 Mg = 1.00
4 0.2988 0.084 0.3021 0.0 Si = 1.00
5 0.2961 0.1728 0.8096 0.0 Si = 1.00
6 0.0 0.2733 0.5 0.0 Ca = 1.00
7 0.125 0.0824 0.223 0.0 O = 1.00
8 0.1279 0.1664 0.7316 0.0 O = 1.00
9 0.122 0.0 0.719 0.0 OH = 0.56, F = 0.44
10 0.354 0.2581 0.776 0.0 O = 1.00
11 0.3724 0.1459 0.1245 0.0 O = 1.00
12 0.3538 0.1119 0.6084 0.0 O = 1.00
13 0.362 0.0 0.258 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0834 0.5
2 2 0.0 0.1711 0.0
3 3 0.0 0.0 0.0
4 4 0.2988 0.084 0.3021
5 5 0.2961 0.1728 0.8096
6 6 0.0 0.2733 0.5
7 7 0.125 0.0824 0.223
8 8 0.1279 0.1664 0.7316
9 9 0.122 0.0 0.719
10 10 0.354 0.2581 0.776
11 11 0.3724 0.1459 0.1245
12 12 0.3538 0.1119 0.6084
13 13 0.362 0.0 0.258
14 1 0.0 0.9166 0.5
15 2 0.0 0.8289 0.0
16 4 0.7012 0.916 0.6979
17 5 0.7039 0.8272 0.1904
18 6 0.0 0.7267 0.5
19 7 0.875 0.9176 0.777
20 8 0.8721 0.8336 0.2684
21 9 0.878 0.0 0.281
22 10 0.646 0.7419 0.224
23 11 0.6276 0.8541 0.8755
24 12 0.6462 0.8881 0.3916
25 13 0.638 0.0 0.742
26 4 0.2988 0.916 0.3021
27 5 0.2961 0.8272 0.8096
28 7 0.125 0.9176 0.223
29 8 0.1279 0.8336 0.7316
30 10 0.354 0.7419 0.776
31 11 0.3724 0.8541 0.1245
32 12 0.3538 0.8881 0.6084
33 4 0.7012 0.084 0.6979
34 5 0.7039 0.1728 0.1904
35 7 0.875 0.0824 0.777
36 8 0.8721 0.1664 0.2684
37 10 0.646 0.2581 0.224
38 11 0.6276 0.1459 0.8755
39 12 0.6462 0.1119 0.3916
40 1 0.5 0.4166 0.5
41 2 0.5 0.3289 0.0
42 3 0.5 0.5 0.0
43 4 0.7988 0.416 0.3021
44 5 0.7961 0.3272 0.8096
45 6 0.5 0.2267 0.5
46 7 0.625 0.4176 0.223
47 8 0.6279 0.3336 0.7316
48 9 0.622 0.5 0.719
49 10 0.854 0.2419 0.776
50 11 0.8724 0.3541 0.1245
51 12 0.8538 0.3881 0.6084
52 13 0.862 0.5 0.258
53 1 0.5 0.5834 0.5
54 2 0.5 0.6711 0.0
55 4 0.2012 0.584 0.6979
56 5 0.2039 0.6728 0.1904
57 6 0.5 0.7733 0.5
58 7 0.375 0.5824 0.777
59 8 0.3721 0.6664 0.2684
60 9 0.378 0.5 0.281
61 10 0.146 0.7581 0.224
62 11 0.1276 0.6459 0.8755
63 12 0.1462 0.6119 0.3916
64 13 0.138 0.5 0.742
65 4 0.7988 0.584 0.3021
66 5 0.7961 0.6728 0.8096
67 7 0.625 0.5824 0.223
68 8 0.6279 0.6664 0.7316
69 10 0.854 0.7581 0.776
70 11 0.8724 0.6459 0.1245
71 12 0.8538 0.6119 0.6084
72 4 0.2012 0.416 0.6979
73 5 0.2039 0.3272 0.1904
74 7 0.375 0.4176 0.777
75 8 0.3721 0.3336 0.2684
76 10 0.146 0.2419 0.224
77 11 0.1276 0.3541 0.8755
78 12 0.1462 0.3881 0.3916
X-ray density (g/cm cub.) = 3.64
MU (1/cm) = 160.357 Mass attenuation coefficient (cm**2/g) = 44.016
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.568 6
2.0074 7
1.9908 8
1.9466 9
1.9466 9
2.0074 7
1.9908 8
2 Mg 2.568 6
2.0322 7
1.9926 8
2.0322 7
1.9926 8
1.9143 10
1.9143 10
3 Mg 2.568 6
1.9541 7
2.0042 9
1.9541 7
2.0042 9
1.9541 7
1.9541 7
4 Si 2.148 4
1.5134 7
1.6289 11
1.558 12
1.5745 13
5 Si 2.148 4
1.4684 8
1.5652 10
1.6131 11
1.6241 12
6 Ca 2.928 8
2.2966 8
2.2966 8
2.2134 10
2.369 11
2.4945 12
2.2134 10
2.369 11
2.4945 12
7 O 3.312 12
2.9166 8
2.8537 8
2.8605 9
2.883 9
2.6415 11
2.4786 12
2.5239 13
2.7127 9
2.8009 7
2.7256 7
2.7523 8
2.7174 10
8 O 3.312 12
2.8537 7
2.9166 7
2.829 9
2.5305 10
2.5646 11
2.4621 12
2.7523 7
2.8096 8
2.8458 10
2.7488 10
2.8932 10
3.2709 11
9 OH ,F 3.36 12
2.883 7
2.8605 7
2.829 8
2.9857 12
2.9842 13
2.7127 7
2.6683 9
2.883 7
2.8605 7
2.829 8
2.9857 12
2.7127 7
10 O 3.312 13
2.5305 8
2.5621 11
2.6229 12
2.9777 10
3.0551 11
2.8458 8
2.7174 7
2.7488 8
2.8932 8
3.2973 10
2.9185 10
2.7614 11
3.1947 12
11 O 3.312 11
2.6415 7
2.5646 8
2.5621 10
2.5424 12
2.6133 12
2.5766 13
3.0551 10
2.8953 11
2.5471 12
3.2709 8
2.7614 10
12 O 3.312 11
2.4786 7
2.4621 8
2.9857 9
2.6229 10
2.6133 11
2.5424 11
2.6034 13
3.1207 13
2.5471 11
3.1083 12
3.1947 10
13 O 3.312 10
2.5239 7
2.9842 9
2.5766 11
2.6034 12
3.1207 12
2.9839 13
2.5239 7
2.5766 11
2.6034 12
3.1207 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 0 2 0 5.201 10.401 0.059 240.45 2 63.4 351.1
2 1 1 0 5.705 11.41 0.065 199.41 4 41.1 245.2
3 0 0 1 9.165 18.33 0.103 75.91 2 43.7 52.6
4 1 3 0 9.336 18.671 0.105 73.08 4 50.9 137.4
5 1 1 -1 9.6 19.2 0.108 68.99 4 70.9 251.9
6 2 0 0 10.193 20.385 0.115 60.96 2 23.3 12.0
7 0 4 0 10.445 20.889 0.118 57.95 2 86.9 158.9
8 0 2 1 10.56 21.119 0.119 56.65 4 17.4 12.5
9 2 2 0 11.468 22.936 0.129 47.71 4 29.5 30.2
10 2 0 -1 11.798 23.595 0.133 44.96 2 55.2 49.8
11 1 1 1 11.924 23.848 0.134 43.97 4 24.7 19.5
12 1 3 -1 12.142 24.285 0.137 42.33 4 75.5 175.2
13 2 2 -1 12.923 25.847 0.145 37.13 4 13.9 5.2
14 0 4 1 13.964 27.928 0.157 31.51 4 20.6 9.7
15 1 3 1 14.073 28.145 0.158 30.99 4 122.4 337.6
16 1 5 0 14.079 28.159 0.158 30.96 4 5.0 0.6
17 2 4 0 14.675 29.35 0.164 28.34 4 97.8 197.2
18 2 0 1 15.516 31.032 0.174 25.15 2 28.2 7.3
19 3 1 0 15.621 31.242 0.175 24.79 4 155.8 437.2
20 0 6 0 15.779 31.558 0.177 24.26 2 7.8 0.5
21 2 4 -1 15.858 31.716 0.177 24.0 4 34.7 21.0
22 3 1 -1 15.955 31.91 0.178 23.68 4 11.9 2.4
23 1 5 -1 16.122 32.244 0.18 23.16 4 55.5 51.8
24 2 2 1 16.406 32.813 0.183 22.3 4 145.4 342.4
25 3 3 0 17.351 34.703 0.194 19.74 4 64.6 59.9
26 1 5 1 17.656 35.311 0.197 19.01 4 198.4 543.6
27 3 3 -1 17.656 35.312 0.197 19.0 4 110.6 169.0
28 1 1 -2 18.096 36.192 0.202 18.01 4 32.9 14.2
29 0 6 1 18.369 36.738 0.205 17.42 4 192.0 466.9
30 0 0 2 18.575 37.15 0.207 17.0 2 135.9 114.1
31 2 0 -2 18.722 37.445 0.208 16.71 2 277.8 468.6
32 2 4 1 18.853 37.707 0.21 16.45 4 44.7 23.9
33 2 6 0 18.931 37.863 0.211 16.3 4 8.4 0.8
34 1 7 0 19.23 38.459 0.214 15.75 4 8.2 0.8
35 0 2 2 19.341 38.683 0.215 15.55 4 38.2 16.5
36 2 2 -2 19.483 38.967 0.217 15.3 4 48.2 25.9
37 1 3 -2 19.635 39.269 0.218 15.04 4 24.8 6.7
38 2 6 -1 19.89 39.78 0.221 14.61 4 44.5 21.1
39 3 1 1 20.285 40.57 0.225 13.99 4 0.2 0.0
40 4 0 -1 20.344 40.688 0.226 13.9 2 61.7 19.2
41 3 5 0 20.427 40.853 0.227 13.77 4 81.0 65.6
42 3 5 -1 20.692 41.385 0.229 13.38 4 201.0 393.1
43 4 0 0 20.727 41.454 0.23 13.33 2 41.4 8.3
44 1 1 2 20.812 41.623 0.231 13.21 4 33.8 11.0
45 1 7 -1 20.826 41.652 0.231 13.19 4 134.0 172.1
46 4 2 -1 21.056 42.112 0.233 12.87 4 131.4 161.4
47 3 1 -2 21.078 42.157 0.233 12.84 4 121.4 137.4
48 0 8 0 21.258 42.516 0.235 12.6 2 1.3 0.0
49 4 2 0 21.428 42.856 0.237 12.37 4 43.9 17.4
50 0 4 2 21.501 43.002 0.238 12.28 4 34.1 10.4
51 2 4 -2 21.632 43.263 0.239 12.11 4 63.1 35.0
52 3 3 1 21.693 43.386 0.24 12.04 4 28.1 6.9
53 1 7 1 22.078 44.157 0.244 11.57 4 83.8 59.0
54 1 3 2 22.192 44.384 0.245 11.44 4 19.0 3.0
55 2 6 1 22.424 44.847 0.248 11.17 4 180.9 265.7
56 1 5 -2 22.445 44.891 0.248 11.15 4 50.6 20.7
57 3 3 -2 22.446 44.892 0.248 11.15 4 58.5 27.8
58 4 4 -1 23.084 46.168 0.255 10.46 4 40.7 12.6
59 0 8 1 23.329 46.658 0.257 10.22 4 29.3 6.4
60 4 4 0 23.431 46.862 0.258 10.12 4 37.9 10.5
61 2 0 2 23.776 47.553 0.262 9.78 2 213.3 161.7
62 2 8 0 23.794 47.588 0.262 9.77 4 51.3 18.7
63 4 0 -2 24.137 48.273 0.265 9.46 2 151.8 79.1
64 3 5 1 24.311 48.623 0.267 9.3 4 121.2 99.3
65 2 2 2 24.408 48.816 0.268 9.22 4 45.8 14.1
66 3 7 0 24.434 48.868 0.269 9.2 4 65.3 28.5
67 2 8 -1 24.598 49.195 0.27 9.06 4 9.8 0.6
68 3 7 -1 24.665 49.33 0.271 9.0 4 68.9 31.0
69 1 9 0 24.669 49.338 0.271 9.0 4 72.8 34.6
70 0 6 2 24.761 49.521 0.272 8.92 4 19.7 2.5
71 4 2 -2 24.761 49.523 0.272 8.92 4 13.8 1.2
72 1 5 2 24.769 49.538 0.272 8.92 4 3.5 0.1
73 2 6 -2 24.878 49.755 0.273 8.83 4 38.4 9.5
74 3 5 -2 25.003 50.005 0.274 8.73 4 38.8 9.6
75 4 0 1 25.132 50.265 0.276 8.63 2 17.9 1.0
76 5 1 -1 25.544 51.088 0.28 8.31 4 15.8 1.5
77 4 2 1 25.739 51.479 0.282 8.17 4 46.1 12.6
78 1 9 -1 25.997 51.995 0.285 7.99 4 137.8 110.2
79 4 6 -1 26.191 52.383 0.287 7.85 4 27.6 4.4
80 1 7 -2 26.21 52.421 0.287 7.84 4 92.9 49.1
81 2 4 2 26.235 52.47 0.287 7.82 4 46.7 12.4
82 5 1 0 26.405 52.809 0.289 7.71 4 65.4 24.0
83 4 6 0 26.508 53.015 0.29 7.64 4 29.8 4.9
84 4 4 -2 26.57 53.141 0.29 7.6 4 92.7 47.4
85 5 3 -1 26.734 53.468 0.292 7.49 4 36.2 7.1
86 2 8 1 26.781 53.561 0.292 7.46 4 12.3 0.8
87 0 10 0 26.95 53.9 0.294 7.36 2 41.4 4.6
88 1 9 1 27.064 54.128 0.295 7.29 4 7.0 0.3
89 4 4 1 27.502 55.005 0.3 7.03 4 7.1 0.3
90 5 3 0 27.569 55.137 0.3 6.99 4 64.8 21.3
91 2 0 -3 27.624 55.249 0.301 6.96 2 11.8 0.4
92 1 1 -3 27.686 55.372 0.302 6.92 4 29.1 4.3
93 3 1 2 27.877 55.753 0.304 6.81 4 42.9 9.1
94 3 7 1 27.888 55.777 0.304 6.81 4 33.4 5.5
95 2 2 -3 28.193 56.387 0.307 6.64 4 32.2 5.0
96 1 7 2 28.305 56.609 0.308 6.58 4 5.8 0.2
97 5 1 -2 28.306 56.611 0.308 6.58 4 98.2 46.1
98 3 7 -2 28.518 57.035 0.31 6.47 4 56.5 15.0
99 0 0 3 28.543 57.087 0.31 6.46 2 52.6 6.5
100 0 10 1 28.711 57.421 0.312 6.37 4 61.7 17.6
101 1 3 -3 28.815 57.631 0.313 6.32 4 113.3 59.0
102 0 8 2 28.857 57.714 0.313 6.3 4 36.1 6.0
103 3 1 -3 28.921 57.842 0.314 6.27 4 35.9 5.9
104 2 8 -2 28.963 57.925 0.314 6.25 4 105.9 50.9
105 3 3 2 29.001 58.002 0.315 6.23 4 66.2 19.8
106 5 5 -1 29.013 58.026 0.315 6.22 4 59.0 15.8
107 2 6 2 29.098 58.196 0.316 6.18 4 10.7 0.5
108 0 2 3 29.101 58.201 0.316 6.18 4 111.5 55.9
109 2 10 0 29.113 58.226 0.316 6.18 4 3.1 0.0
110 3 9 0 29.121 58.242 0.316 6.17 4 71.3 22.8
111 3 9 -1 29.326 58.652 0.318 6.08 4 50.6 11.3
112 4 6 -2 29.411 58.823 0.319 6.04 4 10.8 0.5
113 5 3 -2 29.419 58.838 0.319 6.03 4 9.8 0.4
114 5 5 0 29.805 59.61 0.323 5.86 4 14.5 0.9
115 2 10 -1 29.815 59.629 0.323 5.85 4 1.2 0.0
116 2 4 -3 29.858 59.716 0.323 5.84 4 18.5 1.4
117 3 3 -3 30.02 60.04 0.325 5.76 4 14.5 0.9
118 4 8 -1 30.153 60.307 0.326 5.71 4 10.4 0.4
119 4 6 1 30.285 60.571 0.327 5.65 4 197.0 159.4
120 1 11 0 30.419 60.839 0.329 5.6 4 109.2 48.5
121 4 8 0 30.442 60.884 0.329 5.59 4 91.2 33.8
122 5 1 1 30.679 61.358 0.331 5.49 4 32.0 4.1
123 1 1 3 30.691 61.382 0.331 5.49 4 38.1 5.8
124 1 9 -2 30.709 61.419 0.331 5.48 4 6.4 0.2
125 0 4 3 30.734 61.469 0.332 5.47 4 22.5 2.0
126 6 0 -1 30.824 61.647 0.333 5.44 2 27.3 1.5
127 4 0 -3 30.937 61.874 0.334 5.39 2 34.5 2.3
128 1 5 -3 30.994 61.989 0.334 5.37 4 217.6 184.8
129 3 5 2 31.172 62.344 0.336 5.3 4 4.7 0.1
130 6 2 -1 31.356 62.712 0.338 5.23 4 34.1 4.4
131 4 2 -3 31.468 62.936 0.339 5.19 4 17.6 1.2
132 5 5 -2 31.573 63.146 0.34 5.16 4 12.6 0.6
133 1 11 -1 31.583 63.166 0.34 5.15 4 36.3 4.9
134 5 3 1 31.741 63.482 0.341 5.1 4 11.8 0.5
135 1 3 3 31.753 63.506 0.342 5.09 4 11.2 0.5
136 2 10 1 31.754 63.508 0.342 5.09 4 32.8 4.0
137 6 0 0 32.064 64.128 0.345 4.98 2 194.8 68.7
138 3 5 -3 32.15 64.299 0.345 4.96 4 2.0 0.0
139 3 9 1 32.236 64.471 0.346 4.93 4 14.1 0.7
140 5 7 -1 32.236 64.472 0.346 4.93 4 25.2 2.3
141 4 0 2 32.345 64.69 0.347 4.89 2 245.0 106.7
142 2 6 -3 32.516 65.031 0.349 4.84 4 227.0 181.1
143 1 11 1 32.53 65.061 0.349 4.83 4 9.2 0.3
144 6 2 0 32.585 65.17 0.35 4.81 4 41.2 5.9
145 1 9 2 32.618 65.236 0.35 4.8 4 112.5 44.2
146 3 9 -2 32.814 65.628 0.352 4.74 4 52.8 9.6
147 2 8 2 32.835 65.67 0.352 4.74 4 12.3 0.5
148 6 0 -2 32.836 65.672 0.352 4.73 2 167.5 48.3
149 4 2 2 32.864 65.727 0.352 4.73 4 34.2 4.0
150 6 4 -1 32.924 65.848 0.353 4.71 4 9.3 0.3
151 0 12 0 32.946 65.893 0.353 4.7 2 273.5 127.7
152 5 7 0 32.983 65.965 0.353 4.69 4 95.8 31.3
153 4 4 -3 33.033 66.066 0.354 4.67 4 0.3 0.0
154 4 8 -2 33.128 66.255 0.355 4.65 4 91.1 28.0
155 6 2 -2 33.351 66.701 0.357 4.58 4 27.6 2.5
156 0 6 3 33.352 66.704 0.357 4.58 4 14.7 0.7
157 2 0 3 33.477 66.954 0.358 4.54 2 38.3 2.4
158 0 10 2 33.639 67.279 0.36 4.5 4 3.0 0.0
159 2 10 -2 33.736 67.472 0.36 4.47 4 43.7 6.2
160 5 5 1 33.81 67.62 0.361 4.45 4 61.0 12.0
161 1 5 3 33.822 67.643 0.361 4.45 4 47.2 7.2
162 4 8 1 33.947 67.894 0.362 4.41 4 2.5 0.0
163 2 2 3 33.987 67.974 0.363 4.4 4 76.7 18.8
164 1 7 -3 34.11 68.219 0.364 4.37 4 131.2 54.6
165 5 1 -3 34.11 68.221 0.364 4.37 4 3.8 0.0
166 6 4 0 34.123 68.246 0.364 4.37 4 13.8 0.6
167 3 7 2 34.279 68.557 0.366 4.32 4 38.6 4.7
168 3 11 0 34.388 68.776 0.367 4.3 4 158.9 78.9
169 4 4 2 34.395 68.79 0.367 4.29 4 53.0 8.8
170 0 12 1 34.52 69.041 0.368 4.26 4 33.3 3.4
171 3 11 -1 34.575 69.15 0.368 4.25 4 58.5 10.6
172 5 7 -2 34.661 69.321 0.369 4.23 4 19.8 1.2
173 4 10 -1 34.834 69.667 0.371 4.18 4 70.7 15.2
174 6 4 -2 34.872 69.743 0.371 4.18 4 69.8 14.8
175 2 12 0 34.884 69.768 0.371 4.17 4 43.5 5.7
176 4 10 0 35.101 70.203 0.373 4.12 4 27.0 2.2
177 5 3 -3 35.117 70.235 0.373 4.12 4 56.7 9.6
178 3 7 -3 35.211 70.423 0.374 4.09 4 49.6 7.3
179 6 6 -1 35.456 70.913 0.377 4.04 4 331.1 321.8
180 2 4 3 35.495 70.99 0.377 4.03 4 0.0 0.0
181 2 12 -1 35.522 71.044 0.377 4.02 4 6.1 0.1
182 4 6 -3 35.562 71.124 0.378 4.01 4 76.4 17.0
183 1 11 -2 35.847 71.695 0.38 3.95 4 34.4 3.4
184 2 8 -3 36.058 72.115 0.382 3.91 4 6.8 0.1
185 5 9 -1 36.287 72.573 0.384 3.86 4 37.4 3.9
186 6 0 1 36.381 72.762 0.385 3.84 2 53.9 4.0
187 1 13 0 36.568 73.137 0.387 3.8 4 22.7 1.4
188 6 6 0 36.617 73.234 0.387 3.79 4 36.8 3.7
189 5 7 1 36.806 73.611 0.389 3.76 4 13.9 0.5
190 7 1 -1 36.806 73.613 0.389 3.76 4 18.6 0.9
191 1 7 3 36.817 73.633 0.389 3.75 4 15.9 0.7
192 0 8 3 36.856 73.713 0.389 3.75 4 10.5 0.3
193 6 2 1 36.872 73.745 0.389 3.74 4 62.8 10.7
194 4 6 2 36.881 73.762 0.39 3.74 4 3.3 0.0
195 5 9 0 36.994 73.988 0.391 3.72 4 8.7 0.2
196 5 5 -3 37.095 74.191 0.392 3.7 4 115.2 35.7
197 3 11 1 37.268 74.535 0.393 3.67 4 28.2 2.1
198 2 12 1 37.307 74.614 0.393 3.66 4 35.1 3.3
199 3 1 3 37.333 74.666 0.394 3.66 4 18.5 0.9
200 2 10 2 37.343 74.686 0.394 3.66 4 10.3 0.3
201 6 6 -2 37.344 74.688 0.394 3.66 4 14.5 0.6
202 4 10 -2 37.62 75.24 0.396 3.61 4 8.6 0.2
203 1 11 2 37.626 75.252 0.396 3.61 4 170.1 75.8
204 1 13 -1 37.636 75.272 0.396 3.61 4 102.8 27.7
205 5 1 2 37.68 75.361 0.397 3.6 4 173.7 78.9
206 7 3 -1 37.783 75.566 0.398 3.58 4 18.1 0.8
207 3 11 -2 37.81 75.62 0.398 3.58 4 80.0 16.6
208 6 0 -3 37.834 75.667 0.398 3.57 2 23.9 0.7
209 2 0 -4 37.92 75.841 0.399 3.56 2 41.5 2.2
210 2 6 3 37.951 75.902 0.399 3.55 4 139.9 50.5
211 1 9 -3 38.069 76.137 0.4 3.53 4 75.0 14.4
212 3 9 2 38.23 76.46 0.402 3.51 4 6.5 0.1
213 7 1 -2 38.232 76.463 0.402 3.51 4 78.4 15.7
214 3 3 3 38.305 76.61 0.402 3.49 4 20.7 1.1
215 6 2 -3 38.319 76.637 0.402 3.49 4 53.8 7.4
216 6 4 1 38.333 76.667 0.403 3.49 4 12.9 0.4
217 7 1 0 38.389 76.779 0.403 3.48 4 101.1 25.8
218 4 10 1 38.397 76.795 0.403 3.48 4 16.4 0.7
219 2 2 -4 38.405 76.81 0.403 3.48 4 25.9 1.7
220 1 1 -4 38.411 76.823 0.403 3.48 4 137.0 47.5
221 1 13 1 38.514 77.028 0.404 3.46 4 64.6 10.5
222 3 1 -4 38.594 77.189 0.405 3.45 4 54.4 7.4
223 5 9 -2 38.596 77.193 0.405 3.45 4 110.7 30.7
224 5 3 2 38.649 77.299 0.405 3.44 4 86.6 18.7
225 6 8 -1 38.881 77.762 0.407 3.41 4 20.0 1.0
226 4 8 -3 38.983 77.966 0.408 3.39 4 4.2 0.0
227 0 12 2 39.071 78.141 0.409 3.38 4 122.6 36.9
228 3 9 -3 39.126 78.251 0.41 3.37 4 76.2 14.2
229 2 12 -2 39.162 78.324 0.41 3.37 4 210.3 108.2
230 7 3 -2 39.196 78.392 0.41 3.36 4 100.6 24.7
231 7 3 0 39.353 78.706 0.412 3.34 4 45.1 4.9
232 1 3 -4 39.375 78.75 0.412 3.34 4 89.4 19.4
233 0 14 0 39.383 78.765 0.412 3.34 2 8.6 0.1
234 3 3 -4 39.556 79.113 0.413 3.31 4 87.1 18.3
235 0 0 4 39.576 79.152 0.414 3.31 2 154.7 28.8
236 7 5 -1 39.712 79.424 0.415 3.29 4 73.7 13.0
237 6 4 -3 39.762 79.524 0.415 3.29 4 48.5 5.6
238 2 4 -4 39.847 79.695 0.416 3.27 4 43.1 4.4
239 4 0 -4 39.938 79.877 0.417 3.26 2 193.5 44.4
240 5 7 -3 39.994 79.989 0.417 3.26 4 6.2 0.1
241 6 8 0 40.006 80.012 0.417 3.25 4 16.5 0.6
242 0 2 4 40.054 80.109 0.418 3.25 4 17.6 0.7
243 4 12 -1 40.202 80.403 0.419 3.23 4 16.4 0.6
244 3 5 3 40.227 80.454 0.419 3.23 4 0.9 0.0
245 3 13 0 40.256 80.513 0.419 3.22 4 2.1 0.0
246 4 8 2 40.263 80.526 0.42 3.22 4 16.6 0.6
247 4 2 -4 40.416 80.832 0.421 3.2 4 41.2 3.9
248 2 10 -3 40.419 80.839 0.421 3.2 4 27.3 1.7
249 3 13 -1 40.433 80.867 0.421 3.2 4 38.1 3.4
250 4 12 0 40.456 80.913 0.421 3.2 4 17.7 0.7
251 5 5 2 40.566 81.133 0.422 3.19 4 53.2 6.6
252 5 9 1 40.666 81.333 0.423 3.18 4 44.1 4.5
253 1 9 3 40.677 81.354 0.423 3.17 4 64.5 9.6
254 6 8 -2 40.714 81.428 0.423 3.17 4 29.7 2.0
255 6 6 1 40.731 81.462 0.424 3.17 4 105.8 25.8
256 0 14 1 40.858 81.715 0.425 3.15 4 34.2 2.7
257 7 5 -2 41.107 82.214 0.427 3.13 4 0.1 0.0
258 5 11 -1 41.116 82.232 0.427 3.13 4 25.8 1.5
259 0 10 3 41.191 82.382 0.427 3.12 4 63.0 9.0
260 2 14 0 41.202 82.403 0.428 3.12 4 51.9 6.1
261 7 5 0 41.262 82.524 0.428 3.11 4 7.5 0.1
262 1 5 -4 41.283 82.567 0.428 3.11 4 51.3 5.9
263 2 8 3 41.307 82.614 0.428 3.11 4 33.0 2.5
264 3 5 -4 41.463 82.926 0.43 3.09 4 5.0 0.1
265 0 4 4 41.482 82.965 0.43 3.09 4 71.0 11.3
266 1 13 -2 41.643 83.287 0.431 3.07 4 35.6 2.8
267 4 0 3 41.718 83.436 0.432 3.06 2 9.2 0.1
268 5 11 0 41.799 83.598 0.433 3.06 4 43.7 4.2
269 2 14 -1 41.807 83.614 0.433 3.06 4 101.6 22.9
270 4 4 -4 41.841 83.682 0.433 3.05 4 76.4 13.0
271 1 1 4 41.873 83.746 0.433 3.05 4 11.0 0.3
272 6 6 -3 42.14 84.28 0.436 3.03 4 43.9 4.2
273 4 2 3 42.191 84.383 0.436 3.02 4 70.5 10.9
274 2 6 -4 42.225 84.449 0.436 3.02 4 7.1 0.1
275 5 1 -4 42.411 84.821 0.438 3.0 4 7.7 0.1
276 7 7 -1 42.564 85.127 0.439 2.99 4 3.0 0.0
277 7 1 -3 42.575 85.15 0.439 2.99 4 0.6 0.0
278 2 12 2 42.609 85.219 0.439 2.99 4 52.0 5.9
279 1 3 4 42.819 85.638 0.441 2.97 4 23.4 1.2
280 1 11 -3 42.841 85.683 0.441 2.97 4 51.0 5.6
281 4 12 -2 42.878 85.755 0.442 2.96 4 27.5 1.6
282 7 1 1 42.883 85.766 0.442 2.96 4 1.9 0.0
283 3 11 2 42.999 85.998 0.443 2.95 4 2.4 0.0
284 3 13 1 43.009 86.017 0.443 2.95 4 46.1 4.6
285 3 7 3 43.072 86.144 0.443 2.95 4 71.4 10.9
286 8 0 -1 43.1 86.201 0.444 2.95 2 2.4 0.0
287 6 10 -1 43.163 86.325 0.444 2.94 4 59.8 7.6
288 4 10 -3 43.263 86.525 0.445 2.93 4 56.1 6.7
289 1 15 0 43.279 86.558 0.445 2.93 4 13.9 0.4
290 5 3 -4 43.355 86.709 0.446 2.93 4 24.5 1.3
291 1 13 2 43.355 86.711 0.446 2.93 4 4.6 0.0
292 5 11 -2 43.356 86.712 0.446 2.93 4 182.2 70.7
293 5 7 2 43.408 86.816 0.446 2.92 4 19.0 0.8
294 6 0 2 43.428 86.855 0.446 2.92 2 25.2 0.7
295 2 14 1 43.518 87.036 0.447 2.92 4 63.2 8.5
296 7 3 -3 43.519 87.038 0.447 2.92 4 16.6 0.6
297 3 13 -2 43.534 87.068 0.447 2.92 4 29.3 1.8
298 8 2 -1 43.572 87.144 0.447 2.91 4 50.2 5.3
299 4 4 3 43.608 87.215 0.448 2.91 4 46.7 4.6
300 4 12 1 43.633 87.267 0.448 2.91 4 3.4 0.0
301 5 9 -3 43.785 87.571 0.449 2.9 4 28.9 1.8
302 7 3 1 43.826 87.653 0.449 2.9 4 67.5 9.6
303 0 6 4 43.845 87.689 0.45 2.89 4 23.7 1.2
304 3 11 -3 43.874 87.748 0.45 2.89 4 25.3 1.3
305 6 2 2 43.899 87.798 0.45 2.89 4 4.8 0.0
306 7 7 -2 43.943 87.886 0.45 2.89 4 65.4 9.0
307 6 8 1 44.042 88.084 0.451 2.88 4 8.2 0.1
308 8 0 -2 44.052 88.104 0.451 2.88 2 24.9 0.6
309 7 7 0 44.097 88.193 0.452 2.88 4 32.9 2.3
310 1 7 -4 44.118 88.236 0.452 2.88 4 19.0 0.8
311 4 6 -4 44.201 88.402 0.453 2.87 4 24.0 1.2
312 6 10 0 44.268 88.536 0.453 2.87 4 18.6 0.7
313 3 7 -4 44.296 88.593 0.453 2.87 4 35.6 2.6
314 1 15 -1 44.307 88.615 0.453 2.87 4 8.2 0.1
315 4 10 2 44.521 89.043 0.455 2.85 4 11.9 0.3
316 8 2 -2 44.523 89.046 0.455 2.85 4 36.3 2.7
317 1 5 4 44.704 89.408 0.457 2.84 4 11.9 0.3
318 2 0 4 44.812 89.625 0.457 2.84 2 192.6 38.2
319 6 10 -2 44.967 89.934 0.459 2.83 4 20.8 0.9
320 8 4 -1 44.985 89.969 0.459 2.83 4 24.1 1.2
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 2 0 5.201 10.401 8.498 351.1 49.3 50.2 5.6
2 1 1 0 5.705 11.41 7.7485 245.2 34.4 35.0 5.6
3 0 0 1 9.165 18.33 4.83618 52.6 7.4 7.5 5.6
4 1 3 0 9.336 18.671 4.74844 137.4 19.3 19.5 5.6
5 1 1 -1 9.6 19.2 4.6189 251.9 35.4 35.8 5.6
6 2 0 0 10.193 20.385 4.35294 12.0 1.7 1.7 5.6
7 0 4 0 10.445 20.889 4.249 158.9 22.3 22.6 5.6
8 0 2 1 10.56 21.119 4.20319 12.5 1.8 1.8 5.6
9 2 2 0 11.468 22.936 3.87425 30.2 4.2 4.3 5.6
10 2 0 -1 11.798 23.595 3.76744 49.8 7.0 7.1 5.6
11 1 1 1 11.924 23.848 3.72807 19.5 2.7 2.8 5.6
12 1 3 -1 12.142 24.285 3.66205 175.2 24.6 24.8 5.6
13 0 4 1 13.964 27.928 3.19202 9.7 1.4 1.4 5.6
14 1 3 1 14.073 28.145 3.16791 338.2 47.5 47.8 5.6
15 2 4 0 14.675 29.35 3.04058 197.2 27.7 27.8 5.6
16 2 0 1 15.516 31.032 2.87946 7.3 1.0 1.0 5.6
17 3 1 0 15.621 31.242 2.86056 437.2 61.4 61.6 5.6
18 2 4 -1 15.858 31.716 2.81893 21.0 2.9 3.0 5.6
19 1 5 -1 16.122 32.244 2.77396 51.8 7.3 7.3 5.6
20 2 2 1 16.406 32.813 2.72715 342.4 48.0 48.2 5.6
21 3 3 0 17.351 34.703 2.58283 59.9 8.4 8.4 5.7
22 1 5 1 17.656 35.311 2.53972 712.6 100.0 100.0 5.7
23 1 1 -2 18.096 36.192 2.47992 14.2 2.0 2.0 5.7
24 0 6 1 18.369 36.738 2.44425 466.9 65.5 65.4 5.7
25 0 0 2 18.575 37.15 2.41809 114.1 16.0 16.0 5.7
26 2 0 -2 18.722 37.445 2.39977 468.6 65.8 65.6 5.7
27 2 4 1 18.853 37.707 2.38367 23.9 3.4 3.3 5.7
28 0 2 2 19.341 38.683 2.32576 16.5 2.3 2.3 5.7
29 2 2 -2 19.483 38.967 2.30945 25.9 3.6 3.6 5.7
30 2 6 -1 19.89 39.78 2.26409 21.1 3.0 2.9 5.7
31 4 0 -1 20.344 40.688 2.21564 19.2 2.7 2.7 5.7
32 3 5 0 20.427 40.853 2.20706 65.6 9.2 9.2 5.7
33 3 5 -1 20.692 41.385 2.17994 393.1 55.2 54.8 5.7
34 4 0 0 20.727 41.454 2.17647 8.3 1.2 1.2 5.7
35 1 7 -1 20.826 41.652 2.16655 183.1 25.7 25.5 5.7
36 4 2 -1 21.056 42.112 2.14397 298.8 41.9 41.7 5.7
37 4 2 0 21.428 42.856 2.10842 17.4 2.4 2.4 5.7
38 0 4 2 21.501 43.002 2.1016 10.4 1.5 1.4 5.7
39 2 4 -2 21.632 43.263 2.08954 35.0 4.9 4.9 5.7
40 1 7 1 22.078 44.157 2.04929 59.0 8.3 8.2 5.7
41 2 6 1 22.424 44.847 2.01934 314.1 44.1 43.7 5.7
42 4 4 -1 23.084 46.168 1.96459 12.6 1.8 1.8 5.7
43 4 4 0 23.431 46.862 1.93713 10.5 1.5 1.5 5.7
44 2 0 2 23.776 47.553 1.91056 180.4 25.3 25.0 5.7
45 4 0 -2 24.137 48.273 1.88372 79.1 11.1 11.0 5.7
46 3 5 1 24.311 48.623 1.871 99.3 13.9 13.7 5.7
47 3 7 0 24.434 48.868 1.86218 42.6 6.0 5.9 5.7
48 1 9 0 24.669 49.338 1.84553 65.7 9.2 9.1 5.7
49 2 6 -2 24.878 49.755 1.83103 9.5 1.3 1.3 5.7
50 3 5 -2 25.003 50.005 1.82245 9.6 1.3 1.3 5.7
51 4 2 1 25.739 51.479 1.77371 12.6 1.8 1.7 5.8
52 1 9 -1 25.997 51.995 1.75731 110.2 15.5 15.2 5.8
53 1 7 -2 26.21 52.421 1.74403 65.9 9.2 9.1 5.8
54 5 1 0 26.405 52.809 1.73211 24.0 3.4 3.3 5.8
55 4 4 -2 26.57 53.141 1.72207 47.4 6.7 6.5 5.8
56 5 3 0 27.569 55.137 1.66435 21.3 3.0 2.9 5.8
57 3 1 2 27.877 55.753 1.64742 14.6 2.1 2.0 5.8
58 5 1 -2 28.306 56.611 1.62447 46.1 6.5 6.3 5.8
59 3 7 -2 28.518 57.035 1.61339 21.5 3.0 2.9 5.8
60 0 10 1 28.711 57.421 1.60346 17.6 2.5 2.4 5.8
61 1 3 -3 28.815 57.631 1.59813 59.0 8.3 8.1 5.8
62 2 8 -2 28.963 57.925 1.59071 50.9 7.1 7.0 5.8
63 3 3 2 29.001 58.002 1.58879 35.6 5.0 4.9 5.8
64 0 2 3 29.101 58.201 1.58381 78.7 11.0 10.8 5.8
65 3 9 -1 29.326 58.652 1.57272 11.3 1.6 1.5 5.8
66 4 6 1 30.285 60.571 1.5274 159.4 22.4 21.7 5.8
67 1 11 0 30.419 60.839 1.52132 82.2 11.5 11.2 5.8
68 1 1 3 30.691 61.382 1.50914 9.9 1.4 1.3 5.8
69 1 5 -3 30.994 61.989 1.49583 184.8 25.9 25.1 5.8
70 6 0 0 32.064 64.128 1.45098 68.7 9.6 9.3 5.9
71 4 0 2 32.345 64.69 1.43973 106.7 15.0 14.4 5.9
72 2 6 -3 32.516 65.031 1.433 181.4 25.5 24.5 5.9
73 1 9 2 32.618 65.236 1.429 44.2 6.2 6.0 5.9
74 6 0 -2 32.836 65.672 1.42056 62.4 8.8 8.4 5.9
75 0 12 0 32.946 65.893 1.41633 127.7 17.9 17.3 5.9
76 5 7 0 32.983 65.965 1.41495 31.3 4.4 4.2 5.9
77 4 8 -2 33.128 66.255 1.40946 28.0 3.9 3.8 5.9
78 5 5 1 33.81 67.62 1.3843 19.2 2.7 2.6 5.9
79 2 2 3 33.987 67.974 1.37796 18.8 2.6 2.5 5.9
80 1 7 -3 34.11 68.219 1.37359 55.3 7.8 7.4 5.9
81 3 11 0 34.388 68.776 1.36383 87.6 12.3 11.8 5.9
82 3 11 -1 34.575 69.15 1.35735 10.6 1.5 1.4 5.9
83 4 10 -1 34.834 69.667 1.34854 15.2 2.1 2.0 5.9
84 6 4 -2 34.872 69.743 1.34726 20.5 2.9 2.8 5.9
85 5 3 -3 35.117 70.235 1.33902 11.8 1.7 1.6 5.9
86 3 7 -3 35.211 70.423 1.33591 7.3 1.0 1.0 5.9
87 6 6 -1 35.456 70.913 1.32788 321.8 45.2 43.1 5.9
88 4 6 -3 35.562 71.124 1.32445 17.0 2.4 2.3 5.9
89 6 2 1 36.872 73.745 1.28372 10.8 1.5 1.4 6.0
90 5 5 -3 37.095 74.191 1.27711 35.7 5.0 4.8 6.0
91 1 11 2 37.626 75.252 1.26171 103.5 14.5 13.7 6.0
92 5 1 2 37.68 75.361 1.26016 78.9 11.1 10.5 6.0
93 3 11 -2 37.81 75.62 1.25648 17.4 2.4 2.3 6.0
94 2 6 3 37.951 75.902 1.25251 50.5 7.1 6.7 6.0
95 1 9 -3 38.069 76.137 1.24923 14.4 2.0 1.9 6.0
96 7 1 -2 38.232 76.463 1.24471 15.7 2.2 2.1 6.0
97 6 2 -3 38.319 76.637 1.24232 8.9 1.2 1.2 6.0
98 1 1 -4 38.411 76.823 1.23978 75.7 10.6 10.0 6.0
99 1 13 1 38.514 77.028 1.23698 10.5 1.5 1.4 6.0
100 5 9 -2 38.596 77.193 1.23476 38.2 5.4 5.0 6.0
101 5 3 2 38.649 77.299 1.23333 18.7 2.6 2.5 6.0
102 0 12 2 39.071 78.141 1.22213 36.9 5.2 4.9 6.0
103 3 9 -3 39.126 78.251 1.22068 14.2 2.0 1.9 6.0
104 2 12 -2 39.162 78.324 1.21974 108.2 15.2 14.3 6.0
105 7 3 -2 39.196 78.392 1.21884 24.7 3.5 3.3 6.0
106 1 3 -4 39.375 78.75 1.21421 24.4 3.4 3.2 6.0
107 0 0 4 39.576 79.152 1.20904 47.1 6.6 6.2 6.0
108 7 5 -1 39.712 79.424 1.20558 13.0 1.8 1.7 6.0
109 4 0 -4 39.938 79.877 1.19988 44.4 6.2 5.8 6.0
110 4 2 -4 40.416 80.832 1.1881 9.1 1.3 1.2 6.1
111 1 9 3 40.677 81.354 1.18178 14.1 2.0 1.8 6.1
112 6 6 1 40.731 81.462 1.18048 27.8 3.9 3.6 6.1
113 0 10 3 41.191 82.382 1.16962 15.1 2.1 2.0 6.1
114 1 5 -4 41.283 82.567 1.16747 8.4 1.2 1.1 6.1
115 0 4 4 41.482 82.965 1.16288 11.3 1.6 1.5 6.1
116 2 14 -1 41.807 83.614 1.15549 27.2 3.8 3.5 6.1
117 4 4 -4 41.841 83.682 1.15472 13.0 1.8 1.7 6.1
118 4 2 3 42.191 84.383 1.14692 10.9 1.5 1.4 6.1
119 3 7 3 43.072 86.144 1.12793 10.9 1.5 1.4 6.1
120 6 10 -1 43.163 86.325 1.12602 7.6 1.1 1.0 6.1
121 4 10 -3 43.263 86.525 1.12393 7.1 1.0 0.9 6.1
122 5 11 -2 43.356 86.712 1.12199 72.0 10.1 9.3 6.1
123 2 14 1 43.518 87.036 1.11864 10.9 1.5 1.4 6.1
124 7 3 1 43.826 87.653 1.11236 10.8 1.5 1.4 6.2
125 7 7 -2 43.943 87.886 1.11 9.0 1.3 1.2 6.2
126 2 0 4 44.812 89.625 1.09293 38.2 5.4 4.9 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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