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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PARGASITE
1, f-amphiboles, sf-pargasite, s-pargasite, DF
(Na,K)Ca(2)(Mg,Fe)(4)Al[Si(6)Al(2)O(22)](OH)(2)
Monoclinic C 2/m Z = 2
R =0.43
15 .1 .1990
Ref.Str.:
Keith Robinson, Gibbs G.V., Ribbe P.H., Hall M.R. (1973)
* Amer. J. Science, 273-A, 522-535
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.91 alpha = 90.0
b = 18.022 beta = 105.78
c = 5.312 gamma = 90.0
Unit cell volume (cub. angs.) = 912.96
Molar volume ( cub.cm/mol.) = 274.95
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1056 0.0886 0.2163 0.92 O = 1.00
2 0.1198 0.1739 0.735 0.83 O = 1.00
3 0.1078 0.0 0.7142 0.91 O = 1.00
4 0.3674 0.2508 0.7923 0.95 O = 1.00
5 0.3503 0.1397 0.1108 0.92 O = 1.00
6 0.344 0.1182 0.6094 0.95 O = 1.00
7 0.3389 0.0 0.2861 1.2 O = 1.00
8 0.2799 0.0857 0.3034 0.49 Si = 0.62, Al = 0.38
9 0.2908 0.1734 0.8141 0.48 Si = 0.91, Al = 0.09
10 0.0 0.0899 0.5 0.4 Mg = 0.77, Fe = 0.23
11 0.0 0.1766 0.0 0.37 Mg = 0.44, Fe = 0.2 , Al = 0.36
12 0.0 0.0 0.0 0.29 Mg = 0.76, Fe = 0.24
13 0.0 0.2802 0.5 0.68 Ca = 1.00
14 0.4733 0.0 0.9444 3.45 Na = 0.32, K = 0.15
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1056 0.0886 0.2163
2 2 0.1198 0.1739 0.735
3 3 0.1078 0.0 0.7142
4 4 0.3674 0.2508 0.7923
5 5 0.3503 0.1397 0.1108
6 6 0.344 0.1182 0.6094
7 7 0.3389 0.0 0.2861
8 8 0.2799 0.0857 0.3034
9 9 0.2908 0.1734 0.8141
10 10 0.0 0.0899 0.5
11 11 0.0 0.1766 0.0
12 12 0.0 0.0 0.0
13 13 0.0 0.2802 0.5
14 14 0.4733 0.0 0.9444
15 1 0.8944 0.9114 0.7837
16 2 0.8802 0.8261 0.265
17 3 0.8922 0.0 0.2858
18 4 0.6326 0.7492 0.2077
19 5 0.6497 0.8603 0.8892
20 6 0.656 0.8818 0.3906
21 7 0.6611 0.0 0.7139
22 8 0.7201 0.9143 0.6966
23 9 0.7092 0.8266 0.1859
24 10 0.0 0.9101 0.5
25 11 0.0 0.8234 0.0
26 13 0.0 0.7198 0.5
27 14 0.5267 0.0 0.0556
28 1 0.1056 0.9114 0.2163
29 2 0.1198 0.8261 0.735
30 4 0.3674 0.7492 0.7923
31 5 0.3503 0.8603 0.1108
32 6 0.344 0.8818 0.6094
33 8 0.2799 0.9143 0.3034
34 9 0.2908 0.8266 0.8141
35 1 0.8944 0.0886 0.7837
36 2 0.8802 0.1739 0.265
37 4 0.6326 0.2508 0.2077
38 5 0.6497 0.1397 0.8892
39 6 0.656 0.1182 0.3906
40 8 0.7201 0.0857 0.6966
41 9 0.7092 0.1734 0.1859
42 1 0.6056 0.4114 0.2163
43 2 0.6198 0.3261 0.735
44 3 0.6078 0.5 0.7142
45 4 0.8674 0.2492 0.7923
46 5 0.8503 0.3603 0.1108
47 6 0.844 0.3818 0.6094
48 7 0.8389 0.5 0.2861
49 8 0.7799 0.4143 0.3034
50 9 0.7908 0.3266 0.8141
51 10 0.5 0.4101 0.5
52 11 0.5 0.3234 0.0
53 12 0.5 0.5 0.0
54 13 0.5 0.2198 0.5
55 14 0.9733 0.5 0.9444
56 1 0.3944 0.5886 0.7837
57 2 0.3802 0.6739 0.265
58 3 0.3922 0.5 0.2858
59 4 0.1326 0.7508 0.2077
60 5 0.1497 0.6397 0.8892
61 6 0.156 0.6182 0.3906
62 7 0.1611 0.5 0.7139
63 8 0.2201 0.5857 0.6966
64 9 0.2092 0.6734 0.1859
65 10 0.5 0.5899 0.5
66 11 0.5 0.6766 0.0
67 13 0.5 0.7802 0.5
68 14 0.0267 0.5 0.0556
69 1 0.6056 0.5886 0.2163
70 2 0.6198 0.6739 0.735
71 4 0.8674 0.7508 0.7923
72 5 0.8503 0.6397 0.1108
73 6 0.844 0.6182 0.6094
74 8 0.7799 0.5857 0.3034
75 9 0.7908 0.6734 0.8141
76 1 0.3944 0.4114 0.7837
77 2 0.3802 0.3261 0.265
78 4 0.1326 0.2492 0.2077
79 5 0.1497 0.3603 0.8892
80 6 0.156 0.3818 0.3906
81 8 0.2201 0.4143 0.6966
82 9 0.2092 0.3266 0.1859
X-ray density (g/cm cub.) = 3.17
MU (1/cm) = 213.269 Mass attenuation coefficient (cm**2/g) = 67.306
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 O 3.264 12
3.1247 2
3.0191 2
3.0845 3
3.1137 3
2.7896 5
2.7465 6
2.7507 7
2.7537 3
3.1935 1
2.6543 1
2.781 2
2.9082 4
2 O 3.264 11
3.0191 1
3.1247 1
3.1371 3
2.7619 4
2.6651 5
2.6825 6
2.781 1
2.9406 2
2.9334 4
2.8266 4
3.1459 4
3 O 3.264 9
3.1137 1
3.0845 1
3.1371 2
2.7537 1
2.6644 3
3.1137 1
3.0845 1
3.1371 2
2.7537 1
4 O 3.264 9
2.7619 2
2.6563 5
2.5663 6
2.9363 4
2.9334 2
2.9082 1
2.8266 2
3.1459 2
3.0688 5
5 O 3.264 8
2.7896 1
2.6651 2
2.6563 4
2.6942 6
2.6753 6
2.6974 7
3.0146 6
3.0688 4
6 O 3.264 7
2.7465 1
2.6825 2
2.5663 4
2.6753 5
2.6942 5
2.7281 7
3.0146 5
7 O 3.264 6
2.7507 1
2.6974 5
2.7281 6
2.7507 1
2.6974 5
2.7281 6
8 Si ,Al 2.316 4
1.6631 1
1.6937 5
1.6814 6
1.6628 7
9 Si ,Al 2.316 4
1.6313 2
1.6072 4
1.6417 5
1.6619 6
10 Mg ,Fe 2.592 6
2.0554 1
2.1103 2
2.0976 3
2.0976 3
2.0554 1
2.1103 2
11 Mg ,Fe ,Al 2.592 6
2.068 1
2.0742 2
2.068 1
2.0742 2
1.9666 4
1.9666 4
12 Mg ,Fe 2.592 6
2.0763 1
2.0804 3
2.0763 1
2.0804 3
2.0763 1
2.0763 1
13 Ca 2.88 8
2.4149 2
2.4149 2
2.3579 4
2.625 5
2.563 6
2.3579 4
2.625 5
2.563 6
14 Na ,K 3.228 8
3.0318 5
2.8471 6
2.5266 7
3.124 5
2.4904 7
3.0318 5
2.8471 6
3.124 5
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 5.697 11.393 0.055 200.01 2 52.6 133.0
2 1 1 0 6.091 12.183 0.059 174.64 4 58.7 288.7
3 0 0 1 10.077 20.155 0.098 62.41 2 6.4 0.6
4 1 3 0 10.135 20.271 0.098 61.67 4 18.4 10.1
5 1 1 -1 10.459 20.917 0.101 57.79 4 53.4 79.0
6 2 0 0 10.812 21.624 0.105 53.93 2 19.4 4.9
7 0 4 0 11.451 22.902 0.111 47.86 2 82.2 77.6
8 0 2 1 11.606 23.211 0.112 46.53 4 10.7 2.6
9 2 2 0 12.253 24.506 0.119 41.53 4 14.1 4.0
10 2 0 -1 12.649 25.299 0.122 38.84 2 8.7 0.7
11 1 1 1 13.026 26.053 0.126 36.51 4 40.4 28.6
12 1 3 -1 13.266 26.532 0.128 35.13 4 51.0 43.8
13 2 2 -1 13.912 27.824 0.134 31.76 4 15.9 3.8
14 0 4 1 15.345 30.69 0.148 25.76 4 18.8 4.4
15 1 5 0 15.384 30.769 0.148 25.62 4 27.3 9.1
16 1 3 1 15.399 30.798 0.148 25.56 4 152.0 283.6
17 2 4 0 15.851 31.701 0.153 24.02 4 125.4 181.2
18 3 1 0 16.602 33.204 0.16 21.73 4 169.1 298.3
19 2 0 1 16.812 33.625 0.162 21.15 2 28.9 4.2
20 3 1 -1 17.0 33.999 0.163 20.64 4 40.9 16.6
21 2 4 -1 17.192 34.384 0.165 20.14 4 0.3 0.0
22 0 6 0 17.325 34.65 0.166 19.81 2 26.3 3.3
23 1 5 -1 17.664 35.328 0.17 18.99 4 42.1 16.1
24 2 2 1 17.806 35.612 0.171 18.66 4 146.7 192.6
25 3 3 0 18.563 37.126 0.178 17.03 4 89.8 65.9
26 3 3 -1 18.924 37.849 0.181 16.32 4 138.3 149.7
27 1 5 1 19.363 38.725 0.185 15.51 4 241.6 434.4
28 1 1 -2 19.902 39.804 0.19 14.59 4 12.8 1.1
29 0 6 1 20.206 40.412 0.193 14.11 4 193.3 253.1
30 2 0 -2 20.44 40.879 0.195 13.75 2 303.5 304.0
31 0 0 2 20.485 40.97 0.196 13.69 2 74.9 18.4
32 2 4 1 20.537 41.074 0.196 13.61 4 10.1 0.7
33 2 6 0 20.606 41.213 0.197 13.51 4 6.7 0.3
34 1 7 0 21.092 42.183 0.201 12.82 4 9.9 0.6
35 2 2 -2 21.288 42.576 0.203 12.56 4 27.5 4.6
36 0 2 2 21.332 42.663 0.203 12.5 4 16.6 1.6
37 1 3 -2 21.606 43.212 0.206 12.15 4 6.2 0.2
38 4 0 -1 21.613 43.225 0.206 12.14 2 32.0 3.0
39 2 6 -1 21.693 43.387 0.207 12.04 4 32.4 6.1
40 3 1 1 21.893 43.786 0.208 11.79 4 19.2 2.1
41 4 0 0 22.035 44.07 0.21 11.62 2 52.3 7.6
42 3 5 0 22.035 44.07 0.21 11.62 4 85.2 40.4
43 3 5 -1 22.35 44.699 0.213 11.26 4 182.4 179.7
44 4 2 -1 22.425 44.85 0.213 11.17 4 121.8 79.5
45 3 1 -2 22.831 45.661 0.217 10.73 4 122.0 76.6
46 4 2 0 22.835 45.67 0.217 10.72 4 0.6 0.0
47 1 7 -1 22.882 45.764 0.217 10.67 4 112.2 64.5
48 1 1 2 22.913 45.827 0.218 10.64 4 29.6 4.5
49 0 8 0 23.394 46.788 0.222 10.15 2 18.6 0.8
50 3 3 1 23.48 46.959 0.223 10.07 4 45.8 10.1
51 2 4 -2 23.685 47.37 0.225 9.87 4 87.0 35.9
52 0 4 2 23.725 47.45 0.225 9.83 4 32.1 4.9
53 1 7 1 24.277 48.554 0.23 9.33 4 45.5 9.3
54 3 3 -2 24.37 48.739 0.231 9.25 4 75.4 25.2
55 1 3 2 24.448 48.897 0.231 9.18 4 16.7 1.2
56 2 6 1 24.528 49.056 0.232 9.12 4 190.2 158.2
57 1 5 -2 24.729 49.458 0.234 8.95 4 74.6 23.9
58 4 4 -1 24.735 49.47 0.234 8.94 4 7.5 0.2
59 4 4 0 25.117 50.233 0.237 8.64 4 14.2 0.8
60 0 8 1 25.715 51.431 0.243 8.19 4 10.7 0.4
61 4 0 -2 25.974 51.949 0.245 8.0 2 191.8 70.6
62 2 8 0 26.049 52.097 0.245 7.95 4 31.8 3.9
63 2 0 2 26.087 52.174 0.246 7.92 2 215.3 88.1
64 3 5 1 26.433 52.865 0.249 7.69 4 143.5 76.0
65 3 7 0 26.556 53.112 0.25 7.61 4 81.3 24.2
66 4 2 -2 26.684 53.369 0.251 7.53 4 23.6 2.0
67 2 2 2 26.795 53.59 0.252 7.46 4 22.7 1.8
68 3 7 -1 26.83 53.66 0.252 7.43 4 33.3 4.0
69 2 8 -1 26.964 53.929 0.253 7.35 4 28.6 2.9
70 4 0 1 27.069 54.137 0.254 7.28 2 32.1 1.8
71 1 9 0 27.157 54.313 0.255 7.23 4 73.5 18.7
72 5 1 -1 27.161 54.321 0.255 7.23 4 27.1 2.5
73 3 5 -2 27.252 54.503 0.256 7.17 4 70.7 17.2
74 2 6 -2 27.319 54.638 0.257 7.13 4 5.1 0.1
75 1 5 2 27.324 54.648 0.257 7.13 4 3.2 0.0
76 0 6 2 27.355 54.711 0.257 7.11 4 13.3 0.6
77 4 2 1 27.759 55.519 0.26 6.88 4 37.0 4.5
78 5 1 0 28.137 56.274 0.264 6.67 4 91.0 26.5
79 4 6 -1 28.272 56.543 0.265 6.6 4 74.3 17.5
80 5 3 -1 28.528 57.055 0.267 6.47 4 34.7 3.7
81 4 6 0 28.62 57.239 0.268 6.42 4 10.2 0.3
82 1 9 -1 28.659 57.318 0.268 6.4 4 108.7 36.3
83 4 4 -2 28.742 57.483 0.269 6.36 4 72.0 15.8
84 2 4 2 28.847 57.694 0.27 6.31 4 62.7 11.9
85 1 7 -2 28.938 57.875 0.27 6.26 4 84.2 21.3
86 2 8 1 29.422 58.843 0.275 6.03 4 5.0 0.1
87 5 3 0 29.474 58.949 0.275 6.01 4 71.0 14.5
88 0 10 0 29.757 59.513 0.277 5.88 2 125.2 22.1
89 4 4 1 29.767 59.534 0.278 5.88 4 21.9 1.4
90 1 9 1 29.859 59.717 0.278 5.83 4 44.0 5.4
91 5 1 -2 30.369 60.738 0.283 5.62 4 89.0 21.3
92 2 0 -3 30.474 60.947 0.283 5.58 2 12.4 0.2
93 3 7 1 30.479 60.958 0.284 5.57 4 5.8 0.1
94 3 1 2 30.505 61.009 0.284 5.56 4 35.0 3.3
95 1 1 -3 30.66 61.32 0.285 5.5 4 31.5 2.6
96 2 2 -3 31.115 62.231 0.289 5.32 4 5.6 0.1
97 5 5 -1 31.145 62.289 0.289 5.31 4 40.0 4.1
98 3 7 -2 31.228 62.457 0.29 5.28 4 29.1 2.2
99 1 7 2 31.295 62.59 0.29 5.26 4 19.2 0.9
100 5 3 -2 31.648 63.296 0.293 5.13 4 5.3 0.1
101 0 0 3 31.664 63.328 0.293 5.12 2 40.0 2.0
102 3 1 -3 31.747 63.495 0.294 5.09 4 36.9 3.3
103 0 10 1 31.753 63.506 0.294 5.09 4 64.6 10.2
104 3 3 2 31.78 63.56 0.294 5.08 4 40.0 3.9
105 3 9 0 31.865 63.73 0.295 5.05 4 41.8 4.2
106 2 8 -2 31.923 63.846 0.296 5.03 4 97.9 23.1
107 1 3 -3 31.932 63.864 0.296 5.03 4 109.3 28.8
108 0 8 2 31.956 63.912 0.296 5.02 4 30.7 2.3
109 4 6 -2 31.98 63.959 0.296 5.01 4 10.1 0.2
110 5 5 0 32.044 64.089 0.297 4.99 4 32.6 2.6
111 2 10 0 32.045 64.09 0.297 4.99 4 54.9 7.2
112 2 6 2 32.078 64.157 0.297 4.98 4 10.8 0.3
113 3 9 -1 32.11 64.22 0.297 4.97 4 67.7 10.9
114 0 2 3 32.292 64.585 0.299 4.91 4 117.6 32.6
115 4 8 -1 32.792 65.584 0.303 4.75 4 14.1 0.5
116 6 0 -1 32.819 65.639 0.303 4.74 2 10.4 0.1
117 2 10 -1 32.853 65.705 0.303 4.73 4 10.8 0.3
118 4 6 1 32.945 65.89 0.304 4.7 4 230.5 119.9
119 3 3 -3 32.996 65.992 0.304 4.69 4 6.8 0.1
120 2 4 -3 32.998 65.996 0.304 4.69 4 23.0 1.2
121 5 1 1 33.063 66.127 0.305 4.67 4 2.5 0.0
122 4 8 0 33.111 66.222 0.305 4.65 4 109.6 26.8
123 6 2 -1 33.436 66.873 0.308 4.56 4 20.7 0.9
124 1 11 0 33.638 67.276 0.31 4.5 4 156.6 52.9
125 4 0 -3 33.784 67.567 0.311 4.46 2 5.5 0.0
126 1 9 -2 34.015 68.03 0.313 4.39 4 0.2 0.0
127 1 1 3 34.056 68.111 0.313 4.38 4 25.8 1.4
128 5 5 -2 34.125 68.25 0.314 4.37 4 15.3 0.5
129 0 4 3 34.14 68.281 0.314 4.36 4 2.7 0.0
130 6 0 0 34.247 68.494 0.315 4.33 2 147.5 22.6
131 3 5 2 34.252 68.504 0.315 4.33 4 17.9 0.7
132 5 3 1 34.287 68.574 0.315 4.32 4 11.6 0.3
133 4 2 -3 34.392 68.783 0.316 4.3 4 0.8 0.0
134 1 5 -3 34.398 68.797 0.316 4.29 4 223.9 103.3
135 6 2 0 34.851 69.702 0.319 4.18 4 42.5 3.6
136 5 7 -1 34.855 69.71 0.319 4.18 4 53.1 5.7
137 1 11 -1 34.973 69.946 0.32 4.15 4 23.1 1.1
138 2 10 1 35.061 70.122 0.321 4.13 4 37.3 2.8
139 6 0 -2 35.187 70.373 0.322 4.1 2 252.5 62.7
140 6 4 -1 35.254 70.509 0.323 4.08 4 7.8 0.1
141 1 3 3 35.263 70.525 0.323 4.08 4 13.9 0.4
142 4 0 2 35.343 70.687 0.323 4.06 2 186.2 33.8
143 3 5 -3 35.425 70.85 0.324 4.05 4 49.1 4.7
144 3 9 1 35.432 70.864 0.324 4.04 4 0.8 0.0
145 5 7 0 35.707 71.413 0.326 3.98 4 51.5 5.1
146 6 2 -2 35.784 71.568 0.327 3.97 4 6.4 0.1
147 4 2 2 35.94 71.879 0.328 3.93 4 48.3 4.4
148 2 6 -3 36.023 72.046 0.329 3.91 4 251.1 118.5
149 1 11 1 36.055 72.109 0.329 3.91 4 19.6 0.7
150 3 9 -2 36.128 72.256 0.33 3.89 4 55.0 5.7
151 4 4 -3 36.188 72.376 0.33 3.88 4 13.2 0.3
152 1 9 2 36.19 72.38 0.33 3.88 4 99.7 18.5
153 4 8 -2 36.239 72.478 0.33 3.87 4 91.7 15.6
154 2 8 2 36.332 72.664 0.331 3.85 4 5.7 0.1
155 0 12 0 36.554 73.108 0.333 3.81 2 231.4 48.9
156 6 4 0 36.637 73.275 0.334 3.79 4 16.3 0.5
157 5 5 1 36.676 73.353 0.334 3.78 4 125.8 28.7
158 5 1 -3 37.112 74.224 0.337 3.7 4 17.5 0.5
159 0 6 3 37.123 74.245 0.337 3.7 4 48.9 4.2
160 2 0 3 37.127 74.253 0.337 3.7 2 29.0 0.7
161 4 8 1 37.152 74.303 0.338 3.69 4 23.1 0.9
162 2 10 -2 37.363 74.726 0.339 3.65 4 110.0 21.2
163 0 10 2 37.394 74.787 0.339 3.65 4 25.9 1.2
164 6 4 -2 37.552 75.104 0.341 3.62 4 84.2 12.3
165 1 5 3 37.626 75.252 0.341 3.61 4 69.0 8.2
166 5 7 -2 37.693 75.385 0.342 3.6 4 10.1 0.2
167 4 4 2 37.705 75.41 0.342 3.59 4 80.6 11.2
168 2 2 3 37.711 75.423 0.342 3.59 4 64.0 7.1
169 3 7 2 37.815 75.629 0.343 3.57 4 51.1 4.5
170 3 11 0 37.893 75.787 0.343 3.56 4 123.5 26.1
171 1 7 -3 37.955 75.91 0.344 3.55 4 75.3 9.7
172 3 11 -1 38.12 76.24 0.345 3.52 4 58.5 5.8
173 4 10 -1 38.174 76.349 0.345 3.52 4 38.5 2.5
174 6 6 -1 38.2 76.401 0.346 3.51 4 294.9 146.5
175 5 3 -3 38.279 76.557 0.346 3.5 4 75.4 9.5
176 0 12 1 38.371 76.742 0.347 3.48 4 59.7 6.0
177 4 10 0 38.474 76.948 0.348 3.47 4 89.7 13.4
178 2 12 0 38.64 77.28 0.349 3.44 4 28.5 1.3
179 3 7 -3 38.945 77.889 0.351 3.4 4 34.0 1.9
180 4 6 -3 39.107 78.215 0.353 3.37 4 55.1 4.9
181 6 0 1 39.283 78.565 0.354 3.35 2 20.7 0.3
182 7 1 -1 39.328 78.657 0.354 3.34 4 10.0 0.2
183 2 12 -1 39.387 78.775 0.355 3.34 4 42.3 2.9
184 2 4 3 39.449 78.898 0.355 3.33 4 12.7 0.3
185 6 6 0 39.546 79.091 0.356 3.31 4 39.6 2.5
186 5 9 -1 39.549 79.099 0.356 3.31 4 42.4 2.9
187 6 2 1 39.857 79.715 0.358 3.27 4 58.2 5.3
188 1 11 -2 39.901 79.802 0.359 3.27 4 7.8 0.1
189 2 8 -3 40.097 80.194 0.36 3.24 4 24.6 0.9
190 5 7 1 40.157 80.314 0.36 3.24 4 32.4 1.6
191 5 9 0 40.365 80.73 0.362 3.21 4 6.9 0.1
192 6 6 -2 40.439 80.878 0.363 3.2 4 5.9 0.1
193 7 3 -1 40.476 80.951 0.363 3.2 4 34.2 1.8
194 5 5 -3 40.581 81.162 0.364 3.18 4 140.5 30.2
195 4 6 2 40.589 81.178 0.364 3.18 4 22.6 0.8
196 1 13 0 40.692 81.384 0.364 3.17 4 4.9 0.0
197 7 1 -2 41.036 82.071 0.367 3.13 4 14.9 0.3
198 6 0 -3 41.068 82.136 0.367 3.13 2 15.3 0.2
199 1 7 3 41.082 82.165 0.367 3.13 4 19.1 0.5
200 0 8 3 41.162 82.324 0.368 3.12 4 16.9 0.4
201 7 1 0 41.18 82.36 0.368 3.12 4 87.0 11.3
202 5 1 2 41.215 82.429 0.368 3.12 4 190.1 54.0
203 3 11 1 41.244 82.488 0.369 3.11 4 14.2 0.3
204 3 1 3 41.412 82.823 0.37 3.1 4 6.0 0.1
205 4 10 -2 41.447 82.894 0.37 3.09 4 46.6 3.2
206 2 12 1 41.46 82.92 0.37 3.09 4 39.9 2.4
207 2 10 2 41.536 83.073 0.371 3.08 4 60.8 5.5
208 6 4 1 41.57 83.141 0.371 3.08 4 6.4 0.1
209 6 2 -3 41.637 83.274 0.371 3.07 4 45.5 3.1
210 3 11 -2 41.908 83.817 0.373 3.05 4 124.8 22.8
211 1 13 -1 41.945 83.89 0.374 3.04 4 65.7 6.3
212 1 11 2 41.968 83.936 0.374 3.04 4 170.5 42.4
213 7 3 -2 42.173 84.345 0.375 3.02 4 48.4 3.4
214 6 8 -1 42.212 84.423 0.376 3.02 4 48.5 3.4
215 5 9 -2 42.284 84.568 0.376 3.01 4 77.1 8.6
216 2 6 3 42.302 84.604 0.376 3.01 4 146.3 30.9
217 7 3 0 42.316 84.633 0.376 3.01 4 46.8 3.2
218 4 10 1 42.326 84.653 0.376 3.01 4 31.3 1.4
219 2 0 -4 42.341 84.682 0.377 3.01 2 4.1 0.0
220 5 3 2 42.351 84.702 0.377 3.01 4 94.6 12.9
221 3 9 2 42.403 84.805 0.377 3.0 4 12.4 0.2
222 1 9 -3 42.539 85.079 0.378 2.99 4 72.0 7.4
223 3 3 3 42.547 85.094 0.378 2.99 4 11.7 0.2
224 7 5 -1 42.75 85.501 0.379 2.97 4 177.9 45.2
225 2 2 -4 42.908 85.815 0.381 2.96 4 18.2 0.5
226 3 1 -4 42.959 85.918 0.381 2.96 4 62.3 5.5
227 1 13 1 42.972 85.944 0.381 2.96 4 67.9 6.5
228 1 1 -4 43.018 86.036 0.381 2.95 4 148.1 31.1
229 4 8 -3 43.099 86.199 0.382 2.95 4 4.9 0.0
230 6 4 -3 43.337 86.675 0.384 2.93 4 5.1 0.0
231 3 9 -3 43.505 87.011 0.385 2.92 4 61.4 5.3
232 6 8 0 43.53 87.059 0.385 2.92 4 48.8 3.3
233 2 12 -2 43.663 87.325 0.386 2.91 4 202.8 57.4
234 0 12 2 43.692 87.385 0.386 2.9 4 106.2 15.7
235 5 7 -3 43.985 87.971 0.388 2.89 4 22.7 0.7
236 0 14 0 44.015 88.029 0.388 2.88 2 19.6 0.3
237 3 3 -4 44.09 88.179 0.389 2.88 4 81.5 9.2
238 1 3 -4 44.149 88.298 0.389 2.88 4 88.5 10.8
239 4 0 -4 44.302 88.604 0.39 2.87 2 192.1 25.4
240 6 6 1 44.401 88.803 0.391 2.86 4 70.9 6.9
241 6 8 -2 44.41 88.82 0.391 2.86 4 58.6 4.7
242 0 0 4 44.42 88.841 0.391 2.86 2 140.9 13.6
243 7 5 -2 44.435 88.871 0.391 2.86 4 40.5 2.3
244 4 12 -1 44.449 88.898 0.391 2.86 4 37.6 1.9
245 4 8 2 44.558 89.116 0.392 2.85 4 31.4 1.4
246 7 5 0 44.578 89.157 0.392 2.85 4 8.8 0.1
247 2 4 -4 44.603 89.206 0.393 2.85 4 16.6 0.4
248 5 5 2 44.613 89.226 0.393 2.85 4 55.1 4.1
249 5 9 1 44.697 89.393 0.393 2.84 4 24.9 0.8
250 4 12 0 44.74 89.481 0.393 2.84 4 58.1 4.6
251 3 13 0 44.74 89.481 0.393 2.84 4 1.7 0.0
252 3 5 3 44.808 89.616 0.394 2.84 4 39.0 2.1
253 4 2 -4 44.867 89.733 0.394 2.84 4 21.0 0.6
254 3 13 -1 44.96 89.921 0.395 2.83 4 5.1 0.0
255 0 2 4 44.985 89.97 0.395 2.83 4 15.0 0.3
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 5.697 11.393 9.011 133.0 30.6 31.3 5.6
2 1 1 0 6.091 12.183 8.42914 288.7 66.5 67.8 5.6
3 1 3 0 10.135 20.271 5.08292 10.1 2.3 2.4 5.6
4 1 1 -1 10.459 20.917 4.92743 79.0 18.2 18.5 5.6
5 2 0 0 10.812 21.624 4.76826 4.9 1.1 1.1 5.6
6 0 4 0 11.451 22.902 4.5055 77.6 17.9 18.1 5.6
7 1 1 1 13.026 26.053 3.96835 28.6 6.6 6.6 5.6
8 1 3 -1 13.266 26.532 3.89787 43.8 10.1 10.2 5.6
9 0 4 1 15.345 30.69 3.38001 4.4 1.0 1.0 5.6
10 1 3 1 15.399 30.798 3.36847 292.7 67.4 67.9 5.6
11 2 4 0 15.851 31.701 3.27482 181.2 41.7 42.0 5.6
12 3 1 0 16.602 33.204 3.13051 298.3 68.7 69.0 5.6
13 3 1 -1 17.0 33.999 3.05941 16.6 3.8 3.8 5.7
14 1 5 -1 17.664 35.328 2.94781 16.1 3.7 3.7 5.7
15 2 2 1 17.806 35.612 2.92501 192.6 44.3 44.5 5.7
16 3 3 0 18.563 37.126 2.80971 65.9 15.2 15.2 5.7
17 3 3 -1 18.924 37.849 2.75796 149.7 34.5 34.5 5.7
18 1 5 1 19.363 38.725 2.69784 434.4 100.0 100.0 5.7
19 0 6 1 20.206 40.412 2.58969 253.1 58.3 58.2 5.7
20 2 0 -2 20.44 40.879 2.56131 304.0 70.0 69.8 5.7
21 0 0 2 20.485 40.97 2.5559 18.4 4.2 4.2 5.7
22 2 2 -2 21.288 42.576 2.46371 4.6 1.1 1.0 5.7
23 2 6 -1 21.693 43.387 2.41983 6.1 1.4 1.4 5.7
24 3 5 0 22.035 44.07 2.38411 48.1 11.1 11.0 5.7
25 3 5 -1 22.35 44.699 2.35225 179.7 41.4 41.1 5.7
26 4 2 -1 22.425 44.85 2.34476 79.5 18.3 18.2 5.7
27 3 1 -2 22.831 45.661 2.30525 76.6 17.6 17.5 5.7
28 1 7 -1 22.882 45.764 2.30038 64.5 14.8 14.7 5.7
29 1 1 2 22.913 45.827 2.29739 4.5 1.0 1.0 5.7
30 3 3 1 23.48 46.959 2.245 10.1 2.3 2.3 5.7
31 2 4 -2 23.685 47.37 2.22666 35.9 8.3 8.2 5.7
32 0 4 2 23.725 47.45 2.2231 4.9 1.1 1.1 5.7
33 1 7 1 24.277 48.554 2.17552 9.3 2.1 2.1 5.7
34 3 3 -2 24.37 48.739 2.16774 25.2 5.8 5.7 5.7
35 2 6 1 24.528 49.056 2.15462 158.2 36.4 36.0 5.7
36 1 5 -2 24.729 49.458 2.13818 24.1 5.6 5.5 5.7
37 4 0 -2 25.974 51.949 2.0423 70.6 16.3 16.0 5.8
38 2 0 2 26.087 52.174 2.0341 88.1 20.3 20.0 5.8
39 3 5 1 26.433 52.865 2.00937 76.0 17.5 17.2 5.8
40 3 7 0 26.556 53.112 2.0007 24.2 5.6 5.5 5.8
41 1 9 0 27.157 54.313 1.95971 21.3 4.9 4.8 5.8
42 3 5 -2 27.252 54.503 1.95341 17.2 4.0 3.9 5.8
43 4 2 1 27.759 55.519 1.92044 4.5 1.0 1.0 5.8
44 5 1 0 28.137 56.274 1.89671 26.5 6.1 6.0 5.8
45 4 6 -1 28.272 56.543 1.88843 17.5 4.0 3.9 5.8
46 1 9 -1 28.659 57.318 1.86502 36.3 8.4 8.2 5.8
47 4 4 -2 28.742 57.483 1.86012 15.8 3.6 3.6 5.8
48 2 4 2 28.847 57.694 1.85392 11.9 2.7 2.7 5.8
49 1 7 -2 28.938 57.875 1.84861 21.3 4.9 4.8 5.8
50 5 3 0 29.474 58.949 1.81788 14.5 3.3 3.3 5.8
51 0 10 0 29.757 59.513 1.8022 23.5 5.4 5.3 5.8
52 1 9 1 29.859 59.717 1.7966 5.4 1.2 1.2 5.8
53 5 1 -2 30.369 60.738 1.76921 21.3 4.9 4.8 5.8
54 0 10 1 31.753 63.506 1.69966 17.4 4.0 3.9 5.9
55 1 3 -3 31.932 63.864 1.69113 54.5 12.5 12.1 5.9
56 2 10 0 32.045 64.09 1.68581 9.8 2.2 2.2 5.9
57 3 9 -1 32.11 64.22 1.68276 10.9 2.5 2.4 5.9
58 0 2 3 32.292 64.585 1.67426 32.6 7.5 7.3 5.9
59 4 6 1 32.945 65.89 1.64473 119.9 27.6 26.7 5.9
60 4 8 0 33.111 66.222 1.63741 26.8 6.2 6.0 5.9
61 1 11 0 33.638 67.276 1.61471 52.9 12.2 11.7 5.9
62 6 0 0 34.247 68.494 1.58942 23.3 5.4 5.2 5.9
63 1 5 -3 34.398 68.797 1.58328 103.3 23.8 22.8 5.9
64 5 7 -1 34.855 69.71 1.5651 9.3 2.1 2.1 5.9
65 6 0 -2 35.187 70.373 1.55223 62.7 14.4 13.8 5.9
66 4 0 2 35.343 70.687 1.54623 33.8 7.8 7.5 5.9
67 3 5 -3 35.425 70.85 1.54314 4.7 1.1 1.0 5.9
68 5 7 0 35.707 71.413 1.53257 5.1 1.2 1.1 5.9
69 4 2 2 35.94 71.879 1.52396 4.4 1.0 1.0 5.9
70 2 6 -3 36.023 72.046 1.52091 118.5 27.3 26.0 5.9
71 3 9 -2 36.128 72.256 1.51709 5.7 1.3 1.2 5.9
72 1 9 2 36.19 72.38 1.51484 18.5 4.3 4.1 5.9
73 4 8 -2 36.239 72.478 1.51307 15.6 3.6 3.4 5.9
74 0 12 0 36.554 73.108 1.50183 48.9 11.3 10.7 6.0
75 5 5 1 36.676 73.353 1.49752 28.7 6.6 6.3 6.0
76 0 6 3 37.123 74.245 1.48207 5.9 1.4 1.3 6.0
77 2 10 -2 37.363 74.726 1.47391 21.2 4.9 4.6 6.0
78 6 4 -2 37.552 75.104 1.46758 12.3 2.8 2.7 6.0
79 1 5 3 37.626 75.252 1.46511 8.2 1.9 1.8 6.0
80 4 4 2 37.705 75.41 1.46251 18.3 4.2 4.0 6.0
81 3 7 2 37.815 75.629 1.45889 4.5 1.0 1.0 6.0
82 3 11 0 37.893 75.787 1.45632 26.1 6.0 5.7 6.0
83 1 7 -3 37.955 75.91 1.4543 9.7 2.2 2.1 6.0
84 3 11 -1 38.12 76.24 1.44896 5.8 1.3 1.3 6.0
85 6 6 -1 38.2 76.401 1.44638 149.0 34.3 32.5 6.0
86 5 3 -3 38.279 76.557 1.44387 9.5 2.2 2.1 6.0
87 0 12 1 38.371 76.742 1.44093 6.0 1.4 1.3 6.0
88 4 10 0 38.474 76.948 1.43767 13.4 3.1 2.9 6.0
89 4 6 -3 39.107 78.215 1.41803 4.9 1.1 1.1 6.0
90 5 9 -1 39.549 79.099 1.40474 5.4 1.2 1.2 6.0
91 6 2 1 39.857 79.715 1.39568 5.3 1.2 1.2 6.0
92 5 5 -3 40.581 81.162 1.37499 30.9 7.1 6.7 6.1
93 7 1 0 41.18 82.36 1.35848 11.3 2.6 2.4 6.1
94 5 1 2 41.215 82.429 1.35754 54.3 12.5 11.7 6.1
95 4 10 -2 41.447 82.894 1.3513 5.6 1.3 1.2 6.1
96 2 10 2 41.536 83.073 1.34892 5.5 1.3 1.2 6.1
97 3 11 -2 41.908 83.817 1.33913 22.8 5.2 4.9 6.1
98 1 11 2 41.968 83.936 1.33758 48.8 11.2 10.4 6.1
99 2 6 3 42.302 84.604 1.32898 44.1 10.2 9.4 6.1
100 5 3 2 42.351 84.702 1.32774 12.9 3.0 2.8 6.1
101 1 9 -3 42.539 85.079 1.32298 7.6 1.8 1.6 6.1
102 7 5 -1 42.75 85.501 1.3177 45.2 10.4 9.6 6.1
103 1 13 1 42.972 85.944 1.31221 12.1 2.8 2.6 6.1
104 1 1 -4 43.018 86.036 1.31108 31.1 7.2 6.6 6.1
105 3 9 -3 43.505 87.011 1.29929 8.6 2.0 1.8 6.1
106 2 12 -2 43.663 87.325 1.29555 73.1 16.8 15.5 6.2
107 3 3 -4 44.09 88.179 1.28555 9.2 2.1 1.9 6.2
108 1 3 -4 44.149 88.298 1.28418 10.8 2.5 2.3 6.2
109 4 0 -4 44.302 88.604 1.28065 25.4 5.8 5.4 6.2
110 0 0 4 44.42 88.841 1.27795 29.4 6.8 6.2 6.2
111 4 12 0 44.74 89.481 1.27073 4.6 1.1 1.0 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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