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 ***
***********************
GLAUCOPHANE
4, at 37 kbar, f-amphiboles, sf-glaucophane, s-glaucophane
Na(2)(Mg,Fe,Al)(3)Al(2)Si(8)O(22)(OH)(2)
Monoclinic C 2/m Z = 2
R =0.105 NR =413
5 .5 .1996
Ref.Str.:
Comodi P., Mellini M., Ungaretti, Zanazzi P.F. (1991)
* Eur. J. Mineral., 3, 485-499
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.349 alpha = 90.0
b = 17.61 beta = 103.9
c = 5.257 gamma = 90.0
Unit cell volume (cub. angs.) = 840.15
Molar volume ( cub.cm/mol.) = 253.03
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0917 0.5 0.02 Mg = 0.72, Fe = 0.28
2 0.0 0.1791 0.0 0.0 Mg = 0.8 , Fe = 0.2
3 0.0 0.0 0.0 0.0 Mg = 0.54, Fe = 0.46
4 0.2874 0.0867 0.2933 0.01 Si = 1.00
5 0.2959 0.1725 0.8085 0.0 Si = 1.00
6 0.0 0.2779 0.5 0.02 Na = 0.99, Li = 0.01
7 0.1102 0.0918 0.2015 0.01 O = 1.00
8 0.1176 0.1713 0.7476 0.01 O = 1.00
9 0.1111 0.0 0.7008 0.01 O = 1.00
10 0.3689 0.2537 0.7914 0.0 O = 1.00
11 0.3656 0.1335 0.0926 0.01 O = 1.00
12 0.3464 0.1226 0.5851 0.01 O = 1.00
13 0.3457 0.0 0.3036 0.01 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0917 0.5
2 2 0.0 0.1791 0.0
3 3 0.0 0.0 0.0
4 4 0.2874 0.0867 0.2933
5 5 0.2959 0.1725 0.8085
6 6 0.0 0.2779 0.5
7 7 0.1102 0.0918 0.2015
8 8 0.1176 0.1713 0.7476
9 9 0.1111 0.0 0.7008
10 10 0.3689 0.2537 0.7914
11 11 0.3656 0.1335 0.0926
12 12 0.3464 0.1226 0.5851
13 13 0.3457 0.0 0.3036
14 1 0.0 0.9083 0.5
15 2 0.0 0.8209 0.0
16 4 0.7126 0.9133 0.7067
17 5 0.7041 0.8275 0.1915
18 6 0.0 0.7221 0.5
19 7 0.8898 0.9082 0.7985
20 8 0.8824 0.8287 0.2524
21 9 0.8889 0.0 0.2992
22 10 0.6311 0.7463 0.2086
23 11 0.6344 0.8665 0.9074
24 12 0.6536 0.8774 0.4149
25 13 0.6543 0.0 0.6964
26 4 0.2874 0.9133 0.2933
27 5 0.2959 0.8275 0.8085
28 7 0.1102 0.9082 0.2015
29 8 0.1176 0.8287 0.7476
30 10 0.3689 0.7463 0.7914
31 11 0.3656 0.8665 0.0926
32 12 0.3464 0.8774 0.5851
33 4 0.7126 0.0867 0.7067
34 5 0.7041 0.1725 0.1915
35 7 0.8898 0.0918 0.7985
36 8 0.8824 0.1713 0.2524
37 10 0.6311 0.2537 0.2086
38 11 0.6344 0.1335 0.9074
39 12 0.6536 0.1226 0.4149
40 1 0.5 0.4083 0.5
41 2 0.5 0.3209 0.0
42 3 0.5 0.5 0.0
43 4 0.7874 0.4133 0.2933
44 5 0.7959 0.3275 0.8085
45 6 0.5 0.2221 0.5
46 7 0.6102 0.4082 0.2015
47 8 0.6176 0.3287 0.7476
48 9 0.6111 0.5 0.7008
49 10 0.8689 0.2463 0.7914
50 11 0.8656 0.3665 0.0926
51 12 0.8464 0.3774 0.5851
52 13 0.8457 0.5 0.3036
53 1 0.5 0.5917 0.5
54 2 0.5 0.6791 0.0
55 4 0.2126 0.5867 0.7067
56 5 0.2041 0.6725 0.1915
57 6 0.5 0.7779 0.5
58 7 0.3898 0.5918 0.7985
59 8 0.3824 0.6713 0.2524
60 9 0.3889 0.5 0.2992
61 10 0.1311 0.7537 0.2086
62 11 0.1344 0.6335 0.9074
63 12 0.1536 0.6226 0.4149
64 13 0.1543 0.5 0.6964
65 4 0.7874 0.5867 0.2933
66 5 0.7959 0.6725 0.8085
67 7 0.6102 0.5918 0.2015
68 8 0.6176 0.6713 0.7476
69 10 0.8689 0.7537 0.7914
70 11 0.8656 0.6335 0.0926
71 12 0.8464 0.6226 0.5851
72 4 0.2126 0.4133 0.7067
73 5 0.2041 0.3275 0.1915
74 7 0.3898 0.4082 0.7985
75 8 0.3824 0.3287 0.2524
76 10 0.1311 0.2463 0.2086
77 11 0.1344 0.3665 0.9074
78 12 0.1536 0.3774 0.4149
X-ray density (g/cm cub.) = 3.24
MU (1/cm) = 186.464 Mass attenuation coefficient (cm**2/g) = 57.499
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 6
2.0738 7
2.0446 8
2.0674 9
2.0674 9
2.0738 7
2.0446 8
2 Mg ,Fe 2.592 6
2.0057 7
1.9207 8
2.0057 7
1.9207 8
1.86 10
1.86 10
3 Mg ,Fe 2.592 6
2.067 7
2.0827 9
2.067 7
2.0827 9
2.067 7
2.067 7
4 Si 2.1 4
1.6129 7
1.6424 11
1.628 12
1.6177 13
5 Si 2.1 4
1.6202 8
1.5963 10
1.6307 11
1.625 12
6 Na ,Li 2.808 8
2.3957 8
2.3957 8
2.2496 10
2.7032 11
2.3751 12
2.2496 10
2.7032 11
2.3751 12
7 O 3.264 12
3.1798 8
2.7817 8
3.081 9
3.0907 9
2.6879 11
2.6641 12
2.6798 13
2.7692 9
3.2332 7
2.5762 7
2.6155 8
2.7274 10
8 O 3.264 11
2.7817 7
3.1798 7
3.026 9
2.7237 10
2.6623 11
2.6303 12
2.6155 7
2.9769 8
2.7314 10
2.7362 10
3.1561 10
9 O 3.264 11
3.0907 7
3.081 7
3.026 8
3.2424 12
2.7692 7
2.5818 9
3.0907 7
3.081 7
3.026 8
3.2424 12
2.7692 7
10 O 3.264 10
2.7237 8
2.648 11
2.5379 12
2.8699 10
3.2072 11
2.7314 8
2.7274 7
2.7362 8
3.1561 8
3.1251 11
11 O 3.264 10
2.6879 7
2.6623 8
2.648 10
2.6449 12
2.6376 12
2.6251 13
3.2072 10
2.9049 11
2.8223 12
3.1251 10
12 O 3.264 9
2.6641 7
2.6303 8
3.2424 9
2.5379 10
2.6376 11
2.6449 11
2.6166 13
2.8223 11
3.2068 12
13 O 3.264 7
2.6798 7
2.6251 11
2.6166 12
3.1186 13
2.6798 7
2.6251 11
2.6166 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 5.019 10.038 0.057 258.35 2 40.3 118.8
2 1 1 0 5.479 10.958 0.062 216.39 4 81.6 816.4
3 0 0 1 8.682 17.363 0.098 84.84 2 9.9 2.4
4 1 3 0 8.991 17.982 0.101 78.96 4 28.7 36.8
5 1 1 -1 9.233 18.467 0.104 74.75 4 76.7 249.0
6 2 0 0 9.774 19.547 0.11 66.48 2 11.8 2.6
7 0 2 1 10.047 20.095 0.113 62.79 4 49.7 87.9
8 0 4 0 10.077 20.153 0.114 62.42 2 136.0 327.3
9 2 2 0 11.009 22.019 0.124 51.94 4 8.2 2.0
10 1 1 1 11.25 22.499 0.127 49.66 4 27.3 21.0
11 2 0 -1 11.433 22.865 0.129 48.01 2 1.5 0.0
12 1 3 -1 11.69 23.38 0.132 45.83 4 91.2 216.2
13 2 2 -1 12.513 25.026 0.141 39.74 4 47.1 49.9
14 1 3 1 13.356 26.713 0.15 34.63 4 117.5 271.0
15 0 4 1 13.361 26.721 0.15 34.61 4 16.7 5.4
16 1 5 0 13.568 27.136 0.152 33.49 4 26.3 13.2
17 2 4 0 14.11 28.22 0.158 30.82 4 90.8 143.9
18 2 0 1 14.644 29.287 0.164 28.47 2 4.4 0.2
19 3 1 0 14.973 29.946 0.168 27.15 4 199.3 611.2
20 0 6 0 15.215 30.431 0.17 26.23 2 17.1 2.2
21 2 4 -1 15.331 30.661 0.172 25.81 4 10.3 1.6
22 3 1 -1 15.461 30.922 0.173 25.34 4 27.2 10.6
23 2 2 1 15.517 31.033 0.174 25.15 4 124.4 220.5
24 1 5 -1 15.528 31.055 0.174 25.11 4 43.8 27.3
25 3 3 0 16.646 33.292 0.186 21.61 4 87.8 94.4
26 1 5 1 16.845 33.69 0.188 21.06 4 260.8 811.8
27 3 3 -1 17.091 34.183 0.191 20.4 4 86.8 87.0
28 1 1 -2 17.251 34.501 0.192 19.99 4 37.1 15.6
29 0 0 2 17.571 35.142 0.196 19.21 2 95.5 49.7
30 0 6 1 17.623 35.247 0.197 19.08 4 153.0 253.0
31 2 4 1 17.906 35.811 0.2 18.43 4 12.0 1.5
32 2 0 -2 17.984 35.969 0.2 18.25 2 290.9 437.6
33 2 6 0 18.214 36.427 0.203 17.75 4 5.2 0.3
34 0 2 2 18.319 36.638 0.204 17.53 4 0.4 0.0
35 1 7 0 18.526 37.052 0.206 17.1 4 18.2 3.2
36 2 2 -2 18.718 37.436 0.208 16.72 4 4.3 0.2
37 1 3 -2 18.743 37.486 0.209 16.67 4 27.8 7.3
38 3 1 1 19.186 38.372 0.213 15.83 4 15.5 2.2
39 2 6 -1 19.201 38.403 0.213 15.8 4 19.4 3.4
40 1 1 2 19.603 39.207 0.218 15.09 4 42.8 15.7
41 3 5 0 19.613 39.226 0.218 15.08 4 55.4 26.2
42 4 0 -1 19.682 39.363 0.219 14.96 2 35.8 5.4
43 4 0 0 19.847 39.694 0.22 14.68 2 10.8 0.5
44 3 5 -1 20.001 40.002 0.222 14.43 4 181.2 268.5
45 1 7 -1 20.054 40.108 0.223 14.35 4 95.4 73.9
46 3 1 -2 20.352 40.704 0.226 13.89 4 150.3 177.8
47 4 2 -1 20.363 40.726 0.226 13.87 4 106.4 88.9
48 0 4 2 20.422 40.843 0.226 13.78 4 3.1 0.1
49 0 8 0 20.483 40.966 0.227 13.69 2 36.5 5.2
50 4 2 0 20.524 41.048 0.228 13.63 4 7.3 0.4
51 3 3 1 20.558 41.116 0.228 13.58 4 9.8 0.7
52 2 4 -2 20.786 41.573 0.23 13.25 4 60.3 27.3
53 1 3 2 20.952 41.905 0.232 13.01 4 25.9 4.9
54 1 7 1 21.125 42.251 0.234 12.78 4 93.9 63.9
55 2 6 1 21.371 42.742 0.237 12.45 4 168.4 200.2
56 1 5 -2 21.461 42.923 0.237 12.33 4 46.4 15.1
57 3 3 -2 21.662 43.325 0.24 12.08 4 74.9 38.4
58 4 4 -1 22.304 44.609 0.246 11.31 4 30.7 6.0
59 2 0 2 22.348 44.696 0.247 11.26 2 187.2 111.7
60 0 8 1 22.402 44.803 0.247 11.2 4 32.0 6.5
61 4 4 0 22.454 44.908 0.248 11.14 4 10.3 0.7
62 2 8 0 22.888 45.776 0.252 10.67 4 28.5 4.9
63 2 2 2 22.965 45.93 0.253 10.59 4 18.8 2.1
64 3 5 1 23.099 46.199 0.255 10.45 4 142.2 119.6
65 4 0 -2 23.355 46.711 0.257 10.19 2 131.8 50.1
66 1 5 2 23.46 46.919 0.258 10.09 4 45.3 11.7
67 3 7 0 23.468 46.935 0.258 10.08 4 72.8 30.3
68 0 6 2 23.579 47.159 0.26 9.97 4 11.0 0.7
69 2 8 -1 23.714 47.428 0.261 9.84 4 12.6 0.9
70 1 9 0 23.748 47.496 0.261 9.81 4 29.4 4.8
71 4 0 1 23.786 47.573 0.262 9.78 2 18.2 0.9
72 3 7 -1 23.804 47.609 0.262 9.76 4 58.5 18.9
73 2 6 -2 23.905 47.811 0.263 9.67 4 18.8 1.9
74 4 2 -2 23.952 47.904 0.264 9.62 4 18.1 1.8
75 3 5 -2 24.111 48.221 0.265 9.48 4 51.9 14.5
76 4 2 1 24.375 48.75 0.268 9.25 4 60.8 19.4
77 5 1 -1 24.656 49.311 0.271 9.01 4 31.7 5.1
78 2 4 2 24.743 49.487 0.272 8.94 4 86.4 37.8
79 1 9 -1 25.015 50.03 0.274 8.72 4 131.3 85.2
80 1 7 -2 25.088 50.176 0.275 8.66 4 50.5 12.5
81 5 1 0 25.254 50.508 0.277 8.53 4 72.2 25.2
82 4 6 -1 25.276 50.551 0.277 8.51 4 32.2 5.0
83 4 6 0 25.412 50.823 0.279 8.41 4 15.3 1.1
84 2 8 1 25.575 51.151 0.28 8.29 4 0.8 0.0
85 4 4 -2 25.679 51.358 0.281 8.21 4 79.1 29.1
86 5 3 -1 25.793 51.586 0.282 8.13 4 21.3 2.1
87 1 9 1 25.924 51.847 0.284 8.04 4 79.8 29.0
88 0 10 0 25.939 51.878 0.284 8.03 2 119.8 32.7
89 4 4 1 26.081 52.162 0.285 7.93 4 42.0 7.9
90 3 1 2 26.192 52.385 0.287 7.85 4 23.9 2.5
91 1 1 -3 26.257 52.513 0.287 7.81 4 34.5 5.3
92 2 0 -3 26.345 52.691 0.288 7.75 2 4.2 0.0
93 5 3 0 26.373 52.746 0.288 7.73 4 73.2 23.5
94 3 7 1 26.554 53.107 0.29 7.61 4 22.4 2.2
95 1 7 2 26.879 53.758 0.293 7.4 4 31.7 4.2
96 2 2 -3 26.893 53.786 0.294 7.39 4 7.1 0.2
97 0 0 3 26.926 53.851 0.294 7.37 2 45.0 4.2
98 3 3 2 27.284 54.567 0.298 7.15 4 34.7 4.9
99 1 3 -3 27.346 54.692 0.298 7.12 4 82.6 27.5
100 5 1 -2 27.387 54.774 0.299 7.09 4 137.4 75.9
101 0 2 3 27.465 54.93 0.299 7.05 4 106.4 45.2
102 3 7 -2 27.471 54.941 0.299 7.04 4 52.1 10.8
103 2 6 2 27.517 55.034 0.3 7.02 4 8.5 0.3
104 0 8 2 27.526 55.053 0.3 7.01 4 44.9 8.0
105 0 10 1 27.563 55.126 0.3 6.99 4 51.6 10.5
106 3 1 -3 27.723 55.446 0.302 6.9 4 62.8 15.4
107 2 8 -2 27.818 55.637 0.303 6.85 4 103.9 41.9
108 3 9 0 27.959 55.918 0.304 6.77 4 8.3 0.3
109 5 5 -1 27.968 55.936 0.304 6.76 4 59.2 13.4
110 2 10 0 27.982 55.964 0.305 6.76 4 43.4 7.2
111 3 9 -1 28.257 56.514 0.307 6.61 4 53.3 10.6
112 4 6 -2 28.388 56.775 0.309 6.54 4 1.8 0.0
113 5 3 -2 28.447 56.894 0.309 6.51 4 24.2 2.2
114 2 4 -3 28.491 56.983 0.31 6.48 4 18.0 1.2
115 5 5 0 28.517 57.035 0.31 6.47 4 5.6 0.1
116 2 10 -1 28.7 57.4 0.312 6.38 4 26.2 2.5
117 4 6 1 28.764 57.527 0.312 6.35 4 251.5 227.5
118 3 3 -3 28.775 57.55 0.312 6.34 4 22.7 1.8
119 1 1 3 28.838 57.675 0.313 6.31 4 25.4 2.3
120 5 1 1 29.036 58.073 0.315 6.21 4 12.9 0.6
121 0 4 3 29.043 58.085 0.315 6.21 4 38.2 5.1
122 4 8 -1 29.057 58.113 0.315 6.2 4 3.1 0.0
123 4 8 0 29.18 58.361 0.316 6.14 4 127.6 56.6
124 1 11 0 29.247 58.495 0.317 6.11 4 160.4 89.1
125 3 5 2 29.383 58.767 0.318 6.05 4 8.8 0.3
126 1 9 -2 29.401 58.803 0.319 6.04 4 34.9 4.2
127 1 5 -3 29.443 58.886 0.319 6.02 4 235.7 189.5
128 6 0 -1 29.681 59.363 0.321 5.91 2 18.7 0.6
129 4 0 -3 29.765 59.53 0.322 5.88 2 0.8 0.0
130 1 3 3 29.864 59.728 0.323 5.83 4 11.8 0.5
131 5 3 1 30.059 60.117 0.325 5.75 4 11.1 0.4
132 6 2 -1 30.188 60.377 0.326 5.69 4 42.8 5.9
133 4 2 -3 30.271 60.543 0.327 5.66 4 42.4 5.8
134 2 10 1 30.345 60.691 0.328 5.63 4 50.8 8.2
135 1 11 -1 30.352 60.704 0.328 5.63 4 12.5 0.5
136 4 0 2 30.372 60.745 0.328 5.62 2 186.8 55.5
137 5 5 -2 30.495 60.99 0.329 5.57 4 33.8 3.6
138 6 0 0 30.615 61.23 0.331 5.52 2 145.1 32.9
139 3 9 1 30.727 61.453 0.332 5.47 4 17.8 1.0
140 3 5 -3 30.809 61.618 0.332 5.44 4 34.3 3.6
141 4 2 2 30.872 61.745 0.333 5.42 4 36.6 4.1
142 1 9 2 31.024 62.047 0.335 5.36 4 88.4 23.7
143 2 6 -3 31.036 62.072 0.335 5.35 4 225.5 154.2
144 5 7 -1 31.039 62.077 0.335 5.35 4 4.8 0.1
145 6 2 0 31.113 62.225 0.335 5.32 4 23.5 1.7
146 2 8 2 31.114 62.228 0.335 5.32 4 14.4 0.6
147 1 11 1 31.155 62.309 0.336 5.31 4 2.2 0.0
148 2 0 3 31.359 62.717 0.338 5.23 2 14.8 0.3
149 5 7 0 31.555 63.109 0.34 5.16 4 57.9 9.8
150 0 6 3 31.56 63.12 0.34 5.16 4 62.4 11.4
151 3 9 -2 31.565 63.13 0.34 5.16 4 15.7 0.7
152 0 12 0 31.661 63.322 0.341 5.12 2 234.4 79.8
153 6 4 -1 31.68 63.361 0.341 5.12 4 33.4 3.2
154 6 0 -2 31.732 63.464 0.341 5.1 2 217.5 68.3
155 4 4 -3 31.761 63.522 0.342 5.09 4 20.0 1.1
156 2 2 3 31.85 63.7 0.343 5.06 4 79.1 17.9
157 1 5 3 31.856 63.712 0.343 5.06 4 54.9 8.6
158 4 8 -2 31.923 63.846 0.343 5.03 4 71.4 14.5
159 5 5 1 32.044 64.087 0.344 4.99 4 102.2 29.6
160 0 10 2 32.105 64.21 0.345 4.97 4 19.9 1.1
161 6 2 -2 32.22 64.44 0.346 4.93 4 12.5 0.4
162 4 8 1 32.274 64.548 0.347 4.91 4 35.1 3.4
163 4 4 2 32.346 64.692 0.347 4.89 4 75.0 15.6
164 3 7 2 32.371 64.743 0.348 4.88 4 45.8 5.8
165 2 10 -2 32.371 64.743 0.348 4.88 4 121.0 40.5
166 1 7 -3 32.428 64.855 0.348 4.86 4 109.3 32.9
167 6 4 0 32.58 65.161 0.35 4.82 4 1.2 0.0
168 5 1 -3 32.881 65.763 0.352 4.72 4 3.7 0.0
169 3 11 0 32.982 65.964 0.353 4.69 4 137.8 50.5
170 0 12 1 33.104 66.209 0.355 4.65 4 37.4 3.7
171 3 11 -1 33.252 66.505 0.356 4.61 4 38.5 3.9
172 2 4 3 33.3 66.599 0.356 4.6 4 35.1 3.2
173 5 7 -2 33.425 66.851 0.358 4.56 4 15.4 0.6
174 2 12 0 33.481 66.962 0.358 4.54 4 32.0 2.6
175 4 10 -1 33.508 67.015 0.358 4.54 4 62.7 10.1
176 4 10 0 33.622 67.244 0.359 4.5 4 82.3 17.3
177 6 4 -2 33.662 67.323 0.36 4.49 4 112.5 32.2
178 3 7 -3 33.725 67.449 0.36 4.47 4 19.5 1.0
179 5 3 -3 33.836 67.672 0.361 4.44 4 69.0 12.0
180 6 6 -1 34.085 68.171 0.364 4.38 4 309.4 237.4
181 2 12 -1 34.13 68.26 0.364 4.36 4 13.6 0.5
182 4 6 -3 34.163 68.326 0.365 4.36 4 58.4 8.4
183 1 11 -2 34.299 68.597 0.366 4.32 4 27.0 1.8
184 6 0 1 34.393 68.785 0.367 4.3 2 18.2 0.4
185 2 8 -3 34.413 68.825 0.367 4.29 4 46.0 5.1
186 1 7 3 34.725 69.449 0.37 4.21 4 9.8 0.2
187 4 6 2 34.727 69.455 0.37 4.21 4 33.4 2.7
188 6 2 1 34.861 69.723 0.371 4.18 4 42.4 4.3
189 5 9 -1 34.884 69.768 0.371 4.17 4 20.4 1.0
190 3 1 3 34.891 69.783 0.371 4.17 4 1.2 0.0
191 5 7 1 34.904 69.808 0.371 4.17 4 40.0 3.8
192 0 8 3 34.91 69.819 0.371 4.17 4 15.8 0.6
193 6 6 0 34.953 69.907 0.372 4.16 4 29.7 2.1
194 1 13 0 35.095 70.19 0.373 4.12 4 19.8 0.9
195 7 1 -1 35.342 70.684 0.375 4.06 4 1.5 0.0
196 5 1 2 35.348 70.696 0.376 4.06 4 204.9 96.6
197 5 9 0 35.37 70.741 0.376 4.06 4 28.5 1.9
198 2 10 2 35.42 70.841 0.376 4.05 4 54.1 6.7
199 3 11 1 35.523 71.046 0.377 4.02 4 14.1 0.5
200 2 12 1 35.634 71.267 0.378 4.0 4 18.8 0.8
201 2 6 3 35.65 71.299 0.378 4.0 4 147.8 49.4
202 5 5 -3 35.709 71.417 0.379 3.98 4 141.4 45.1
203 1 11 2 35.799 71.598 0.38 3.96 4 193.8 84.3
204 3 3 3 35.821 71.641 0.38 3.96 4 31.9 2.3
205 2 0 -4 35.917 71.835 0.381 3.94 2 80.6 7.3
206 6 6 -2 36.0 72.001 0.382 3.92 4 14.5 0.5
207 1 13 -1 36.102 72.203 0.382 3.9 4 61.7 8.4
208 3 9 2 36.144 72.288 0.383 3.89 4 15.2 0.5
209 4 10 -2 36.18 72.361 0.383 3.88 4 45.5 4.6
210 1 9 -3 36.197 72.395 0.383 3.88 4 90.5 18.0
211 1 1 -4 36.214 72.428 0.383 3.87 4 163.5 58.7
212 6 4 1 36.252 72.504 0.384 3.87 4 27.4 1.6
213 7 3 -1 36.266 72.533 0.384 3.86 4 1.3 0.0
214 5 3 2 36.272 72.544 0.384 3.86 4 115.4 29.1
215 3 11 -2 36.304 72.608 0.384 3.86 4 86.8 16.5
216 2 2 -4 36.378 72.756 0.385 3.84 4 18.9 0.8
217 6 0 -3 36.488 72.975 0.386 3.82 2 10.7 0.1
218 4 10 1 36.511 73.022 0.386 3.81 4 47.3 4.8
219 7 1 0 36.566 73.132 0.387 3.8 4 101.9 22.4
220 3 1 -4 36.717 73.433 0.388 3.77 4 23.3 1.2
221 1 13 1 36.839 73.679 0.389 3.75 4 49.3 5.2
222 7 1 -2 36.863 73.725 0.389 3.75 4 53.8 6.2
223 6 2 -3 36.945 73.89 0.39 3.73 4 44.8 4.2
224 1 3 -4 37.129 74.258 0.392 3.7 4 112.2 26.4
225 0 0 4 37.141 74.282 0.392 3.69 2 162.3 27.6
226 5 9 -2 37.148 74.295 0.392 3.69 4 62.5 8.2
227 0 12 2 37.266 74.532 0.393 3.67 4 138.0 39.6
228 6 8 -1 37.325 74.651 0.394 3.66 4 62.2 8.0
229 4 8 -3 37.4 74.8 0.394 3.65 4 20.2 0.8
230 3 9 -3 37.434 74.867 0.395 3.64 4 58.9 7.1
231 7 3 0 37.478 74.956 0.395 3.63 4 50.9 5.3
232 2 12 -2 37.515 75.03 0.395 3.63 4 243.1 121.5
233 0 2 4 37.596 75.191 0.396 3.61 4 13.2 0.4
234 3 3 -4 37.627 75.255 0.396 3.61 4 53.2 5.8
235 3 5 3 37.65 75.301 0.397 3.6 4 51.8 5.5
236 2 4 -4 37.746 75.491 0.397 3.59 4 48.2 4.7
237 0 14 0 37.761 75.523 0.398 3.58 2 52.0 2.8
238 7 3 -2 37.772 75.544 0.398 3.58 4 81.7 13.6
239 4 8 2 37.944 75.889 0.399 3.55 4 33.0 2.2
240 7 5 -1 38.088 76.176 0.4 3.53 4 154.8 48.0
241 5 5 2 38.094 76.188 0.4 3.53 4 56.3 6.3
242 4 0 -4 38.135 76.27 0.401 3.52 2 212.2 44.9
243 6 8 0 38.163 76.326 0.401 3.52 4 32.6 2.1
244 6 4 -3 38.306 76.611 0.402 3.49 4 3.2 0.0
245 1 9 3 38.393 76.786 0.403 3.48 4 44.2 3.9
246 5 7 -3 38.444 76.889 0.404 3.47 4 40.7 3.3
247 6 6 1 38.525 77.049 0.404 3.46 4 100.4 19.8
248 3 13 0 38.539 77.077 0.404 3.46 4 0.5 0.0
249 2 10 -3 38.544 77.088 0.404 3.46 4 3.5 0.0
250 5 9 1 38.566 77.131 0.405 3.45 4 39.7 3.1
251 4 12 -1 38.583 77.167 0.405 3.45 4 23.1 1.0
252 4 2 -4 38.586 77.171 0.405 3.45 4 0.3 0.0
253 4 12 0 38.691 77.382 0.406 3.43 4 60.0 7.0
254 3 13 -1 38.792 77.584 0.407 3.42 4 12.2 0.3
255 2 8 3 38.837 77.673 0.407 3.41 4 15.3 0.5
256 4 0 3 38.891 77.783 0.408 3.41 2 37.4 1.4
257 1 5 -4 38.937 77.873 0.408 3.4 4 19.4 0.7
258 0 4 4 38.948 77.897 0.408 3.4 4 21.9 0.9
259 0 10 3 39.02 78.04 0.409 3.39 4 52.9 5.4
260 0 14 1 39.102 78.204 0.409 3.37 4 40.4 3.1
261 1 1 4 39.131 78.263 0.41 3.37 4 4.0 0.0
262 6 8 -2 39.177 78.354 0.41 3.36 4 36.6 2.6
263 7 5 0 39.28 78.561 0.411 3.35 4 0.1 0.0
264 4 2 3 39.339 78.679 0.411 3.34 4 43.5 3.6
265 3 5 -4 39.427 78.855 0.412 3.33 4 4.4 0.0
266 5 11 -1 39.443 78.886 0.412 3.33 4 0.0 0.0
267 2 14 0 39.455 78.909 0.412 3.33 4 25.6 1.2
268 7 5 -2 39.57 79.14 0.413 3.31 4 16.5 0.5
269 1 13 -2 39.779 79.557 0.415 3.28 4 34.1 2.2
270 5 11 0 39.909 79.818 0.416 3.27 4 54.8 5.6
271 4 4 -4 39.928 79.856 0.417 3.26 4 78.5 11.4
272 2 6 -4 39.99 79.98 0.417 3.26 4 30.7 1.7
273 1 3 4 40.024 80.049 0.417 3.25 4 39.6 2.9
274 2 14 -1 40.065 80.13 0.418 3.25 4 76.0 10.6
275 3 7 3 40.341 80.682 0.42 3.21 4 20.3 0.8
276 2 12 2 40.402 80.803 0.421 3.21 4 25.0 1.1
277 7 1 1 40.442 80.885 0.421 3.2 4 14.8 0.4
278 6 6 -3 40.541 81.082 0.422 3.19 4 33.5 2.0
279 5 1 -4 40.597 81.194 0.422 3.18 4 1.2 0.0
280 6 0 2 40.649 81.298 0.423 3.18 2 56.2 2.8
281 3 11 2 40.653 81.305 0.423 3.18 4 3.3 0.0
282 4 4 3 40.675 81.35 0.423 3.17 4 26.0 1.2
283 1 11 -3 40.704 81.408 0.423 3.17 4 30.7 1.7
284 7 7 -1 40.771 81.541 0.424 3.16 4 50.6 4.6
285 5 7 2 40.776 81.552 0.424 3.16 4 12.2 0.3
286 3 13 1 40.943 81.886 0.425 3.14 4 37.6 2.5
287 7 1 -3 41.017 82.034 0.426 3.14 4 2.7 0.0
288 6 2 2 41.092 82.184 0.427 3.13 4 13.2 0.3
289 4 12 -2 41.131 82.261 0.427 3.12 4 17.0 0.5
290 0 6 4 41.174 82.349 0.427 3.12 4 11.0 0.2
291 1 13 2 41.207 82.414 0.428 3.12 4 33.1 1.9
292 8 0 -1 41.242 82.485 0.428 3.11 2 22.6 0.4
293 7 3 1 41.328 82.657 0.429 3.1 4 58.5 6.0
294 6 10 -1 41.354 82.707 0.429 3.1 4 54.0 5.1
295 1 15 0 41.421 82.841 0.429 3.09 4 39.5 2.7
296 4 10 -3 41.426 82.852 0.429 3.09 4 43.1 3.3
297 4 12 1 41.449 82.898 0.43 3.09 4 8.6 0.1
298 5 3 -4 41.483 82.965 0.43 3.09 4 29.9 1.6
299 2 14 1 41.491 82.983 0.43 3.09 4 64.3 7.2
300 1 7 -4 41.605 83.21 0.431 3.08 4 46.3 3.7
301 5 11 -2 41.623 83.246 0.431 3.07 4 225.0 88.2
302 6 8 1 41.641 83.283 0.431 3.07 4 11.0 0.2
303 8 2 -1 41.684 83.368 0.432 3.07 4 35.1 2.1
304 3 13 -2 41.692 83.383 0.432 3.07 4 6.3 0.1
305 2 0 4 41.705 83.409 0.432 3.07 2 227.2 44.8
306 1 5 4 41.797 83.593 0.433 3.06 4 10.4 0.2
307 3 11 -3 41.9 83.8 0.434 3.05 4 17.5 0.5
308 7 3 -3 41.901 83.802 0.434 3.05 4 29.0 1.4
309 7 7 0 41.943 83.887 0.434 3.04 4 55.3 5.3
310 4 10 2 41.956 83.912 0.434 3.04 4 55.3 5.3
311 5 9 -3 42.004 84.008 0.434 3.04 4 27.3 1.3
312 3 7 -4 42.088 84.177 0.435 3.03 4 24.1 1.0
313 4 6 -4 42.142 84.285 0.436 3.03 4 3.7 0.0
314 2 2 4 42.146 84.291 0.436 3.03 4 14.7 0.4
315 6 10 0 42.169 84.339 0.436 3.02 4 36.7 2.3
316 7 7 -2 42.229 84.458 0.436 3.02 4 33.5 1.9
317 8 0 -2 42.344 84.688 0.437 3.01 2 1.1 0.0
318 1 15 -1 42.379 84.758 0.438 3.0 4 41.1 2.9
319 6 4 2 42.416 84.832 0.438 3.0 4 45.9 3.6
320 8 0 0 42.767 85.534 0.441 2.97 2 129.7 14.2
321 8 2 -2 42.784 85.569 0.441 2.97 4 1.4 0.0
322 2 10 3 42.829 85.657 0.441 2.97 4 81.0 11.0
323 1 11 3 42.834 85.669 0.441 2.97 4 4.5 0.0
324 4 6 3 42.882 85.764 0.442 2.96 4 69.7 8.1
325 5 11 1 43.003 86.006 0.443 2.95 4 36.2 2.2
326 8 4 -1 43.006 86.011 0.443 2.95 4 7.5 0.1
327 0 14 2 43.058 86.117 0.443 2.95 4 49.0 4.0
328 2 8 -4 43.083 86.167 0.443 2.95 4 30.4 1.5
329 1 15 1 43.087 86.173 0.443 2.95 4 21.2 0.8
330 7 5 1 43.091 86.182 0.443 2.95 4 73.7 9.1
331 6 10 -2 43.162 86.325 0.444 2.94 4 65.6 7.2
332 8 2 0 43.207 86.413 0.444 2.94 4 11.8 0.2
333 5 5 -4 43.244 86.488 0.445 2.94 4 3.9 0.0
334 2 14 -2 43.299 86.599 0.445 2.93 4 45.0 3.4
335 2 12 -3 43.421 86.842 0.446 2.92 4 27.4 1.2
336 2 4 4 43.465 86.93 0.447 2.92 4 18.9 0.6
337 6 8 -3 43.628 87.256 0.448 2.91 4 31.2 1.6
338 6 0 -4 43.634 87.268 0.448 2.91 2 37.8 1.2
339 7 5 -3 43.66 87.321 0.448 2.91 4 2.3 0.0
340 5 1 3 43.82 87.64 0.449 2.9 4 7.8 0.1
341 3 9 3 43.869 87.739 0.45 2.89 4 53.0 4.6
342 0 12 3 43.887 87.773 0.45 2.89 4 6.4 0.1
343 6 2 -4 44.073 88.146 0.452 2.88 4 1.1 0.0
344 8 4 -2 44.102 88.204 0.452 2.88 4 35.2 2.0
345 0 8 4 44.255 88.51 0.453 2.87 4 44.6 3.2
346 7 9 -1 44.294 88.587 0.453 2.87 4 4.0 0.0
347 5 9 2 44.299 88.599 0.453 2.87 4 22.8 0.8
348 4 14 -1 44.337 88.674 0.454 2.86 4 30.3 1.5
349 0 16 0 44.416 88.831 0.454 2.86 2 2.8 0.0
350 1 7 4 44.434 88.868 0.454 2.86 4 26.6 1.1
351 4 14 0 44.442 88.885 0.455 2.86 4 1.4 0.0
352 8 4 0 44.523 89.046 0.455 2.85 4 19.4 0.6
353 6 6 2 44.612 89.224 0.456 2.85 4 35.6 2.0
354 5 3 3 44.697 89.394 0.457 2.84 4 82.8 11.1
355 3 15 0 44.732 89.464 0.457 2.84 4 5.3 0.0
356 5 13 -1 44.74 89.479 0.457 2.84 4 8.8 0.1
357 3 15 -1 44.98 89.959 0.459 2.83 4 4.8 0.0
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 2 0 5.019 10.038 8.805 118.8 14.5 14.6 5.6
2 1 1 0 5.479 10.958 8.06701 816.4 100.0 100.0 5.6
3 1 3 0 8.991 17.982 4.92882 36.8 4.5 4.5 5.6
4 1 1 -1 9.233 18.467 4.80056 249.0 30.5 30.4 5.6
5 0 2 1 10.047 20.095 4.41514 87.9 10.8 10.7 5.6
6 0 4 0 10.077 20.153 4.4025 327.3 40.1 39.9 5.6
7 1 1 1 11.25 22.499 3.94848 21.0 2.6 2.6 5.6
8 1 3 -1 11.69 23.38 3.80171 216.2 26.5 26.3 5.6
9 2 2 -1 12.513 25.026 3.55519 49.9 6.1 6.1 5.6
10 1 3 1 13.356 26.713 3.33447 276.4 33.9 33.5 5.6
11 1 5 0 13.568 27.136 3.28341 13.2 1.6 1.6 5.6
12 2 4 0 14.11 28.22 3.15973 143.9 17.6 17.4 5.6
13 3 1 0 14.973 29.946 2.98141 611.2 74.9 73.9 5.6
14 3 1 -1 15.461 30.922 2.88942 10.6 1.3 1.3 5.6
15 2 2 1 15.517 31.033 2.87938 247.8 30.4 29.9 5.6
16 3 3 0 16.646 33.292 2.689 94.4 11.6 11.4 5.6
17 1 5 1 16.845 33.69 2.6581 811.8 99.4 97.8 5.7
18 3 3 -1 17.091 34.183 2.62093 87.0 10.7 10.5 5.7
19 1 1 -2 17.251 34.501 2.59744 15.6 1.9 1.9 5.7
20 0 0 2 17.571 35.142 2.55153 49.7 6.1 6.0 5.7
21 0 6 1 17.623 35.247 2.54421 253.0 31.0 30.4 5.7
22 2 0 -2 17.984 35.969 2.49476 437.6 53.6 52.6 5.7
23 3 5 0 19.613 39.226 2.29481 41.8 5.1 5.0 5.7
24 3 5 -1 20.001 40.002 2.25206 268.5 32.9 32.2 5.7
25 1 7 -1 20.054 40.108 2.24634 73.9 9.1 8.9 5.7
26 3 1 -2 20.352 40.704 2.21481 266.7 32.7 31.9 5.7
27 2 4 -2 20.786 41.573 2.1705 27.3 3.3 3.3 5.7
28 1 7 1 21.125 42.251 2.13724 63.9 7.8 7.6 5.7
29 2 6 1 21.371 42.742 2.11381 200.2 24.5 23.9 5.7
30 1 5 -2 21.461 42.923 2.10532 15.1 1.8 1.8 5.7
31 3 3 -2 21.662 43.325 2.08671 38.4 4.7 4.6 5.7
32 2 0 2 22.348 44.696 2.02582 111.7 13.7 13.3 5.7
33 3 5 1 23.099 46.199 1.96336 119.6 14.7 14.2 5.7
34 4 0 -2 23.355 46.711 1.94302 50.1 6.1 6.0 5.7
35 3 7 0 23.468 46.935 1.93425 42.0 5.1 5.0 5.7
36 3 7 -1 23.804 47.609 1.90845 18.9 2.3 2.3 5.7
37 3 5 -2 24.111 48.221 1.88562 14.5 1.8 1.7 5.7
38 4 2 1 24.375 48.75 1.86642 19.4 2.4 2.3 5.7
39 2 4 2 24.743 49.487 1.84033 37.8 4.6 4.5 5.7
40 1 9 -1 25.015 50.03 1.82161 85.2 10.4 10.1 5.7
41 1 7 -2 25.088 50.176 1.81667 12.5 1.5 1.5 5.7
42 5 1 0 25.254 50.508 1.80548 30.3 3.7 3.6 5.8
43 4 4 -2 25.679 51.358 1.7776 29.1 3.6 3.4 5.8
44 0 10 0 25.939 51.878 1.761 61.7 7.6 7.3 5.8
45 5 3 0 26.373 52.746 1.73404 23.5 2.9 2.8 5.8
46 1 3 -3 27.346 54.692 1.67684 27.5 3.4 3.2 5.8
47 5 1 -2 27.387 54.774 1.67453 75.9 9.3 8.9 5.8
48 0 2 3 27.465 54.93 1.67014 56.0 6.9 6.6 5.8
49 0 10 1 27.563 55.126 1.66467 10.5 1.3 1.2 5.8
50 3 1 -3 27.723 55.446 1.65581 15.4 1.9 1.8 5.8
51 2 8 -2 27.818 55.637 1.65058 41.9 5.1 4.9 5.8
52 5 5 -1 27.968 55.936 1.64246 20.6 2.5 2.4 5.8
53 3 9 -1 28.257 56.514 1.62704 10.6 1.3 1.2 5.8
54 4 6 1 28.764 57.527 1.60076 229.4 28.1 26.9 5.8
55 4 8 0 29.18 58.361 1.57986 56.6 6.9 6.6 5.8
56 1 11 0 29.247 58.495 1.57657 89.1 10.9 10.4 5.8
57 1 5 -3 29.443 58.886 1.56702 189.5 23.2 22.2 5.8
58 4 0 2 30.372 60.745 1.52345 64.3 7.9 7.5 5.8
59 6 0 0 30.615 61.23 1.51254 32.9 4.0 3.8 5.8
60 2 6 -3 31.036 62.072 1.49401 178.0 21.8 20.7 5.8
61 0 6 3 31.56 63.12 1.47171 21.9 2.7 2.5 5.9
62 0 12 0 31.661 63.322 1.4675 83.0 10.2 9.7 5.9
63 6 0 -2 31.732 63.464 1.46456 69.5 8.5 8.1 5.9
64 2 2 3 31.85 63.7 1.45971 26.6 3.3 3.1 5.9
65 4 8 -2 31.923 63.846 1.45671 14.5 1.8 1.7 5.9
66 5 5 1 32.044 64.087 1.45182 29.6 3.6 3.4 5.9
67 2 10 -2 32.371 64.743 1.43868 61.9 7.6 7.2 5.9
68 1 7 -3 32.428 64.855 1.43646 32.9 4.0 3.8 5.9
69 3 11 0 32.982 65.964 1.41498 50.5 6.2 5.8 5.9
70 4 10 -1 33.508 67.015 1.39531 12.7 1.6 1.5 5.9
71 4 10 0 33.622 67.244 1.39113 17.3 2.1 2.0 5.9
72 6 4 -2 33.662 67.323 1.38968 32.2 3.9 3.7 5.9
73 5 3 -3 33.836 67.672 1.38335 12.0 1.5 1.4 5.9
74 6 6 -1 34.085 68.171 1.37445 237.4 29.1 27.4 5.9
75 4 6 -3 34.163 68.326 1.37171 8.4 1.0 1.0 5.9
76 5 1 2 35.348 70.696 1.33142 98.5 12.1 11.3 5.9
77 2 6 3 35.65 71.299 1.32163 49.4 6.1 5.7 5.9
78 5 5 -3 35.709 71.417 1.31974 45.1 5.5 5.2 5.9
79 1 11 2 35.799 71.598 1.31684 86.6 10.6 9.9 5.9
80 1 13 -1 36.102 72.203 1.30729 8.4 1.0 1.0 5.9
81 1 1 -4 36.214 72.428 1.30379 81.3 10.0 9.3 5.9
82 5 3 2 36.272 72.544 1.30198 30.8 3.8 3.5 6.0
83 3 11 -2 36.304 72.608 1.30099 16.5 2.0 1.9 6.0
84 7 1 0 36.566 73.132 1.29296 22.4 2.7 2.6 6.0
85 7 1 -2 36.863 73.725 1.28402 11.3 1.4 1.3 6.0
86 0 0 4 37.141 74.282 1.27576 62.1 7.6 7.1 6.0
87 0 12 2 37.266 74.532 1.2721 39.6 4.9 4.5 6.0
88 2 12 -2 37.515 75.03 1.26489 121.5 14.9 13.8 6.0
89 3 3 -4 37.627 75.255 1.26167 11.3 1.4 1.3 6.0
90 7 3 -2 37.772 75.544 1.25756 21.0 2.6 2.4 6.0
91 7 5 -1 38.088 76.176 1.24869 54.3 6.6 6.2 6.0
92 4 0 -4 38.135 76.27 1.24738 47.1 5.8 5.3 6.0
93 6 6 1 38.525 77.049 1.2367 19.8 2.4 2.2 6.0
94 4 4 -4 39.928 79.856 1.20014 17.0 2.1 1.9 6.0
95 2 14 -1 40.065 80.13 1.19673 10.6 1.3 1.2 6.0
96 7 3 1 41.328 82.657 1.16643 11.1 1.4 1.2 6.1
97 2 14 1 41.491 82.983 1.16268 8.8 1.1 1.0 6.1
98 5 11 -2 41.623 83.246 1.15967 91.9 11.3 10.3 6.1
99 2 0 4 41.705 83.409 1.15781 47.0 5.8 5.3 6.1
100 7 7 0 41.943 83.887 1.15243 10.5 1.3 1.2 6.1
101 8 0 0 42.767 85.534 1.1344 14.2 1.7 1.6 6.1
102 2 10 3 42.829 85.657 1.13309 11.1 1.4 1.2 6.1
103 7 5 1 43.091 86.182 1.12752 9.1 1.1 1.0 6.1
104 5 3 3 44.697 89.394 1.09514 11.1 1.4 1.2 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)
|