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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FRANKSOUSAITE
1, t-linarite, f-linarite
PbCu(Se,S)O(4)(OH)(2)
Monoclinic P 2(1)/m Z = 2
R =0.02 NR =1016
25 .4 .24
Ref.Str.:
Hexiong Yang, J.A. McGlasson, R.B. Gibbs, R.T. Downs (2022)
* Mineral. Mag., 86, 792–798, doi:10.1180/mgm.2022.90
L: $Pb1.02 Cu0.98 Se0.84 S0.17 O6 H2$
R: Locality - El Dragon mine, Potosi, Bolivia.
IMA2021-096. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.8208 alpha = 90.0
b = 5.734 beta = 102.68
c = 4.7498 gamma = 90.0
Unit cell volume (cub. angs.) = 260.95
Molar volume ( cub.cm/mol.) = 78.59
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3339 0.25 0.3345 0.0 Pb = 1.00
2 0.0 0.0 0.0 0.0 Cu = 1.00
3 0.3338 0.75 0.8852 0.0 Se = 0.82, S = 0.18
4 0.4894 0.75 0.075 0.0 O = 1.00
5 0.3345 0.75 0.5464 0.0 O = 1.00
6 0.2467 0.5206 0.9443 0.0 O = 1.00
7 0.0343 0.75 0.2786 0.0 OH = 1.00
8 0.0898 0.25 0.2692 0.0 OH = 1.00
9 0.117 0.75 0.371 0.0 H = 1.00
10 0.072 0.25 0.434 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3339 0.25 0.3345
2 2 0.0 0.0 0.0
3 3 0.3338 0.75 0.8852
4 4 0.4894 0.75 0.075
5 5 0.3345 0.75 0.5464
6 6 0.2467 0.5206 0.9443
7 7 0.0343 0.75 0.2786
8 8 0.0898 0.25 0.2692
9 9 0.117 0.75 0.371
10 10 0.072 0.25 0.434
11 1 0.6661 0.75 0.6655
12 2 0.0 0.5 0.0
13 3 0.6662 0.25 0.1148
14 4 0.5106 0.25 0.925
15 5 0.6655 0.25 0.4536
16 6 0.7533 0.0206 0.0557
17 7 0.9657 0.25 0.7214
18 8 0.9102 0.75 0.7308
19 9 0.883 0.25 0.629
20 10 0.928 0.75 0.566
21 6 0.2467 0.9794 0.9443
22 6 0.7533 0.4794 0.0557
X-ray density (g/cm cub.) = 5.61
MU (1/cm) = 750.55 Mass attenuation coefficient (cm**2/g) = 133.681
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.192 8
3.0382 5
3.0382 5
2.4245 6
2.3486 8
2.9568 4
2.8769 4
3.1808 5
2.4245 6
2 Cu 2.856 6
1.9297 7
1.9931 8
2.4971 6
1.9297 7
1.9931 8
2.4971 6
3 Se ,S 2.508 4
1.5947 4
1.6105 5
1.6268 6
1.6268 6
4 O 3.312 8
2.9704 5
2.6345 5
2.6734 6
2.9725 4
2.9725 4
3.0393 6
2.6734 6
3.0393 6
5 O 3.312 7
2.6345 4
2.9704 4
2.6002 6
3.0935 6
2.9433 7
2.6002 6
3.0935 6
6 O 3.312 9
2.6734 4
3.0935 5
2.6002 5
3.1713 7
2.8649 8
3.0393 4
3.1402 7
2.6308 6
3.1032 6
7 OH 3.36 9
2.9433 5
3.1713 6
2.9205 8
2.9205 8
3.1402 6
2.6922 8
2.6197 8
3.1713 6
3.1402 6
8 OH 3.36 6
2.8649 6
2.9205 7
2.9205 7
2.6922 7
2.6197 7
2.8649 6
9 H 1.68 1
0.8341 7
10 H 1.68 1
0.8387 8
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 1 0 0 4.611 9.223 0.052 306.45 2 44.0 1742.5
2 1 1 0 9.007 18.014 0.102 78.67 4 65.0 1953.9
3 2 0 0 9.253 18.506 0.104 74.43 2 49.0 523.9
4 0 0 1 9.569 19.137 0.108 69.46 2 37.9 292.9
5 1 0 -1 9.672 19.344 0.109 67.93 2 130.8 3414.0
6 1 0 1 11.532 23.063 0.13 47.16 2 18.8 48.9
7 2 0 -1 11.79 23.58 0.133 45.02 2 0.7 0.1
8 2 1 0 12.094 24.189 0.136 42.68 4 56.6 804.6
9 0 1 1 12.341 24.681 0.139 40.91 4 153.4 5657.6
10 1 1 -1 12.422 24.844 0.14 40.35 4 12.5 36.8
11 1 1 1 13.937 27.874 0.156 31.64 4 160.0 4760.5
12 3 0 0 13.957 27.913 0.157 31.55 2 242.6 5454.6
13 2 1 -1 14.154 28.308 0.159 30.62 4 172.0 5318.1
14 2 0 1 14.796 29.593 0.166 27.85 2 106.4 926.4
15 3 0 -1 15.138 30.276 0.17 26.52 2 22.9 40.9
16 0 2 0 15.585 31.17 0.174 24.91 2 162.7 1935.9
17 3 1 0 16.026 32.052 0.179 23.46 4 6.3 5.5
18 1 2 0 16.287 32.573 0.182 22.65 4 133.0 2355.2
19 2 1 1 16.772 33.544 0.187 21.26 4 4.9 3.0
20 3 1 -1 17.078 34.156 0.191 20.44 4 143.5 2472.8
21 2 2 0 18.247 36.493 0.203 17.68 4 90.1 843.4
22 0 2 1 18.417 36.835 0.205 17.32 4 102.8 1074.5
23 1 2 -1 18.474 36.948 0.206 17.21 4 42.5 182.9
24 3 0 1 18.758 37.516 0.209 16.64 2 34.4 57.8
25 4 0 0 18.759 37.517 0.209 16.64 2 17.1 14.3
26 1 0 -2 18.931 37.862 0.211 16.3 2 102.2 500.0
27 4 0 -1 19.146 38.293 0.213 15.9 2 179.3 1501.6
28 0 0 2 19.418 38.836 0.216 15.41 2 1.8 0.1
29 1 2 1 19.565 39.131 0.217 15.16 4 121.8 1320.4
30 2 0 -2 19.634 39.269 0.218 15.04 2 168.6 1256.1
31 2 2 -1 19.727 39.454 0.219 14.88 4 51.4 230.9
32 3 1 1 20.396 40.791 0.226 13.82 4 135.8 1497.7
33 4 1 0 20.396 40.793 0.226 13.82 4 63.9 331.8
34 1 1 -2 20.557 41.114 0.228 13.58 4 116.0 1073.4
35 4 1 -1 20.758 41.517 0.23 13.29 4 15.6 18.9
36 0 1 2 21.012 42.025 0.233 12.93 4 75.1 428.9
37 1 0 2 21.026 42.051 0.233 12.91 2 188.1 1342.5
38 3 2 0 21.164 42.329 0.234 12.72 4 131.2 1286.8
39 2 1 -2 21.215 42.431 0.235 12.65 4 34.8 89.8
40 3 0 -2 21.43 42.859 0.237 12.37 2 7.0 1.8
41 2 2 1 21.758 43.515 0.241 11.96 4 49.4 171.2
42 3 2 -1 22.004 44.008 0.243 11.66 4 80.3 441.7
43 1 1 2 22.526 45.053 0.249 11.06 4 24.3 38.5
44 3 1 -2 22.909 45.818 0.253 10.64 4 55.1 189.6
45 4 0 1 23.147 46.294 0.255 10.4 2 13.1 5.3
46 2 0 2 23.567 47.133 0.26 9.98 2 71.3 149.3
47 5 0 -1 23.568 47.137 0.26 9.98 2 0.4 0.0
48 5 0 0 23.702 47.404 0.261 9.86 2 52.1 78.5
49 4 0 -2 24.12 48.24 0.265 9.47 2 41.2 47.1
50 1 3 0 24.264 48.529 0.267 9.34 4 67.5 250.2
51 4 1 1 24.545 49.09 0.27 9.1 4 151.3 1223.4
52 3 2 1 24.774 49.547 0.272 8.91 4 98.8 511.0
53 4 2 0 24.774 49.549 0.272 8.91 4 139.4 1016.9
54 1 2 -2 24.912 49.825 0.273 8.8 4 152.9 1209.0
55 2 1 2 24.947 49.894 0.274 8.77 4 83.6 360.2
56 5 1 -1 24.949 49.897 0.274 8.77 4 139.8 1007.3
57 5 1 0 25.077 50.153 0.275 8.67 4 67.9 235.0
58 4 2 -1 25.086 50.172 0.275 8.66 4 41.5 87.5
59 0 2 2 25.306 50.611 0.277 8.49 4 112.0 625.2
60 4 1 -2 25.478 50.956 0.279 8.36 4 89.5 393.1
61 2 2 -2 25.482 50.963 0.279 8.36 4 101.9 509.6
62 2 3 0 25.715 51.43 0.282 8.19 4 52.4 132.0
63 0 3 1 25.845 51.691 0.283 8.09 4 123.8 729.0
64 1 3 -1 25.889 51.777 0.283 8.06 4 2.2 0.2
65 1 2 2 26.63 53.26 0.291 7.56 4 69.4 213.7
66 1 3 1 26.735 53.47 0.292 7.49 4 126.4 703.8
67 3 0 2 26.844 53.688 0.293 7.42 2 18.6 7.6
68 2 3 -1 26.862 53.724 0.293 7.41 4 139.8 851.5
69 3 2 -2 26.969 53.938 0.294 7.35 4 110.5 526.7
70 5 0 -2 27.515 55.03 0.3 7.02 2 169.7 593.8
71 5 0 1 27.872 55.744 0.303 6.82 2 109.5 240.0
72 3 3 0 28.013 56.025 0.305 6.74 4 3.9 0.6
73 3 1 2 28.107 56.214 0.306 6.69 4 58.2 133.2
74 6 0 -1 28.324 56.647 0.308 6.57 2 3.9 0.3
75 4 2 1 28.433 56.866 0.309 6.51 4 100.9 389.5
76 2 3 1 28.497 56.994 0.31 6.48 4 2.3 0.2
77 3 3 -1 28.7 57.4 0.312 6.38 4 130.1 634.0
78 5 1 -2 28.758 57.517 0.312 6.35 4 19.9 14.7
79 2 2 2 28.797 57.593 0.313 6.33 4 124.3 575.0
80 5 2 -1 28.798 57.596 0.313 6.33 4 75.8 213.7
81 6 0 0 28.84 57.681 0.313 6.31 2 185.9 640.4
82 5 2 0 28.914 57.828 0.314 6.27 4 132.1 643.2
83 5 1 1 29.105 58.211 0.316 6.18 4 3.2 0.4
84 1 0 -3 29.169 58.337 0.316 6.15 2 45.4 37.2
85 4 2 -2 29.279 58.557 0.317 6.1 4 146.2 765.1
86 2 0 -3 29.289 58.577 0.318 6.09 2 18.6 6.2
87 6 1 -1 29.545 59.089 0.32 5.97 4 108.2 410.6
88 0 0 3 29.913 59.826 0.324 5.81 2 140.3 335.9
89 6 1 0 30.048 60.096 0.325 5.75 4 4.4 0.7
90 3 0 -3 30.267 60.533 0.327 5.66 2 129.0 276.5
91 1 1 -3 30.368 60.737 0.328 5.62 4 129.2 550.6
92 2 1 -3 30.485 60.971 0.329 5.57 4 92.4 279.1
93 4 0 2 30.715 61.43 0.332 5.48 2 193.5 602.3
94 3 3 1 31.036 62.072 0.335 5.35 4 110.9 386.6
95 4 3 0 31.037 62.073 0.335 5.35 4 56.5 100.2
96 0 1 3 31.095 62.19 0.335 5.33 4 33.6 35.3
97 1 3 -2 31.156 62.311 0.336 5.31 4 91.4 260.6
98 4 3 -1 31.306 62.611 0.337 5.25 4 11.4 4.0
99 3 1 -3 31.441 62.882 0.339 5.2 4 50.6 78.4
100 1 0 3 31.484 62.967 0.339 5.19 2 50.3 38.5
101 6 0 -2 31.486 62.972 0.339 5.19 2 12.2 2.3
102 0 3 2 31.496 62.992 0.339 5.18 4 69.5 147.0
103 2 3 -2 31.649 63.297 0.341 5.13 4 23.8 17.0
104 3 2 2 31.698 63.396 0.341 5.11 4 76.4 175.3
105 4 1 2 31.88 63.76 0.343 5.05 4 24.2 17.3
106 4 0 -3 32.055 64.11 0.345 4.99 2 33.5 16.4
107 5 2 -2 32.305 64.61 0.347 4.9 4 98.0 276.6
108 0 4 0 32.503 65.006 0.349 4.84 2 225.6 723.7
109 5 2 1 32.63 65.259 0.35 4.8 4 13.1 4.9
110 1 1 3 32.633 65.266 0.35 4.8 4 101.7 291.5
111 6 1 -2 32.635 65.271 0.35 4.8 4 72.2 146.7
112 1 3 2 32.655 65.309 0.35 4.79 4 15.6 6.9
113 1 4 0 32.91 65.82 0.353 4.71 4 29.9 24.8
114 6 0 1 32.93 65.861 0.353 4.71 2 4.1 0.2
115 3 3 -2 32.954 65.908 0.353 4.7 4 44.2 53.9
116 6 2 -1 33.041 66.082 0.354 4.67 4 46.9 60.3
117 4 1 -3 33.194 66.387 0.355 4.63 4 128.7 450.2
118 7 0 -1 33.414 66.829 0.357 4.56 2 112.3 169.0
119 6 2 0 33.514 67.029 0.358 4.53 4 125.0 416.1
120 1 2 -3 33.816 67.632 0.361 4.45 4 96.0 240.8
121 2 0 3 33.817 67.635 0.361 4.45 2 22.8 6.8
122 2 2 -3 33.927 67.853 0.362 4.42 4 45.3 53.3
123 6 1 1 34.054 68.108 0.363 4.38 4 106.6 292.8
124 2 4 0 34.117 68.234 0.364 4.37 4 30.5 23.8
125 0 4 1 34.227 68.453 0.365 4.34 4 20.8 11.0
126 7 0 0 34.247 68.495 0.365 4.33 2 51.3 33.5
127 4 3 1 34.261 68.523 0.365 4.33 4 135.2 464.7
128 1 4 -1 34.263 68.526 0.365 4.33 4 103.3 271.3
129 0 2 3 34.503 69.006 0.368 4.27 4 42.0 44.2
130 7 1 -1 34.53 69.06 0.368 4.26 4 0.4 0.0
131 5 0 -3 34.588 69.175 0.368 4.25 2 11.2 1.6
132 2 3 2 34.589 69.178 0.368 4.25 4 78.9 155.4
133 5 3 -1 34.59 69.181 0.369 4.25 4 130.4 424.1
134 5 3 0 34.695 69.39 0.369 4.22 4 53.8 71.7
135 3 2 -3 34.831 69.662 0.371 4.19 4 23.7 13.8
136 2 1 3 34.927 69.854 0.372 4.16 4 135.0 445.9
137 1 4 1 34.982 69.965 0.372 4.15 4 10.6 2.7
138 4 3 -2 35.026 70.051 0.373 4.14 4 75.2 137.4
139 2 4 -1 35.091 70.182 0.373 4.12 4 0.1 0.0
140 5 0 2 35.11 70.22 0.373 4.12 2 40.0 19.3
141 4 2 2 35.248 70.497 0.375 4.09 4 87.6 184.0
142 7 1 0 35.351 70.701 0.376 4.06 4 39.7 37.6
143 5 1 -3 35.686 71.372 0.379 3.99 4 111.3 290.4
144 1 2 3 35.966 71.933 0.381 3.93 4 52.0 62.3
145 6 2 -2 35.969 71.937 0.381 3.93 4 65.5 98.8
146 7 0 -2 35.975 71.95 0.381 3.92 2 36.9 15.7
147 3 4 0 36.085 72.17 0.382 3.9 4 179.4 737.6
148 5 1 2 36.201 72.403 0.383 3.88 4 88.5 178.5
149 4 2 -3 36.503 73.006 0.386 3.82 4 120.4 325.1
150 2 4 1 36.509 73.017 0.386 3.81 4 92.4 191.5
151 3 4 -1 36.687 73.373 0.388 3.78 4 14.8 4.8
152 3 0 3 36.85 73.7 0.389 3.75 2 112.3 138.9
153 7 1 -2 37.056 74.112 0.391 3.71 4 76.4 127.3
154 3 3 2 37.246 74.493 0.393 3.67 4 57.2 70.6
155 6 2 1 37.329 74.658 0.394 3.66 4 55.3 65.7
156 7 2 -1 37.788 75.575 0.398 3.58 4 28.1 16.6
157 6 0 -3 37.805 75.61 0.398 3.58 2 99.0 103.0
158 5 3 -2 37.811 75.622 0.398 3.58 4 23.1 11.2
159 3 1 3 37.922 75.843 0.399 3.56 4 48.6 49.3
160 5 3 1 38.114 76.228 0.401 3.53 4 5.0 0.5
161 2 2 3 38.171 76.341 0.401 3.52 4 84.0 145.6
162 7 0 1 38.376 76.752 0.403 3.48 2 12.6 1.6
163 6 3 -1 38.5 76.999 0.404 3.46 4 99.9 203.1
164 7 2 0 38.58 77.161 0.405 3.45 4 117.1 278.0
165 3 4 1 38.771 77.543 0.406 3.42 4 15.0 4.5
166 4 4 0 38.772 77.543 0.406 3.42 4 19.6 7.7
167 6 1 -3 38.867 77.735 0.407 3.41 4 35.6 25.3
168 1 4 -2 38.88 77.759 0.407 3.41 4 67.4 90.9
169 8 0 -1 38.9 77.801 0.408 3.4 2 11.7 1.4
170 5 2 -3 38.905 77.811 0.408 3.4 4 42.2 35.7
171 6 3 0 38.944 77.889 0.408 3.4 4 2.7 0.1
172 4 4 -1 39.016 78.031 0.409 3.39 4 127.7 324.3
173 0 4 2 39.188 78.377 0.41 3.36 4 2.6 0.1
174 1 3 -3 39.229 78.458 0.411 3.36 4 119.3 280.5
175 2 4 -2 39.328 78.655 0.411 3.34 4 141.5 393.0
176 2 3 -3 39.333 78.667 0.411 3.34 4 88.6 154.0
177 5 2 2 39.406 78.811 0.412 3.33 4 127.2 316.9
178 7 1 1 39.434 78.868 0.412 3.33 4 118.8 275.8
179 0 3 3 39.879 79.758 0.416 3.27 4 24.8 11.9
180 8 1 -1 39.954 79.908 0.417 3.26 4 119.9 275.5
181 6 0 2 40.026 80.052 0.417 3.25 2 1.5 0.0
182 8 0 0 40.028 80.056 0.417 3.25 2 15.5 2.3
183 3 3 -3 40.191 80.381 0.419 3.23 4 46.5 41.1
184 7 2 -2 40.237 80.475 0.419 3.23 4 118.8 267.3
185 1 4 2 40.249 80.498 0.419 3.22 4 149.5 423.5
186 2 0 -4 40.455 80.91 0.421 3.2 2 11.3 1.2
187 3 4 -2 40.526 81.051 0.422 3.19 4 7.2 1.0
188 4 0 3 40.543 81.085 0.422 3.19 2 38.5 13.9
189 4 3 2 40.588 81.176 0.422 3.18 4 25.3 12.0
190 1 0 -4 40.692 81.384 0.423 3.17 2 146.2 199.2
191 3 0 -4 40.968 81.935 0.426 3.14 2 23.6 5.1
192 8 0 -2 40.993 81.986 0.426 3.14 2 166.0 254.2
193 6 1 2 41.073 82.146 0.426 3.13 4 51.1 48.0
194 8 1 0 41.075 82.149 0.426 3.13 4 58.7 63.3
195 3 2 3 41.083 82.166 0.427 3.13 4 57.2 60.1
196 1 3 3 41.275 82.55 0.428 3.11 4 93.9 161.1
197 6 3 -2 41.277 82.554 0.428 3.11 4 60.7 67.2
198 2 1 -4 41.499 82.999 0.43 3.09 4 72.0 93.9
199 4 1 3 41.586 83.173 0.431 3.08 4 86.5 135.1
200 0 0 4 41.675 83.351 0.432 3.07 2 36.6 12.1
201 7 0 -3 41.678 83.357 0.432 3.07 2 20.8 3.9
202 1 1 -4 41.735 83.47 0.432 3.06 4 23.4 9.9
203 4 4 1 41.742 83.483 0.432 3.06 4 4.5 0.4
204 4 3 -3 41.79 83.58 0.433 3.06 4 120.7 261.9
205 3 1 -4 42.009 84.019 0.434 3.04 4 83.9 125.4
206 6 2 -3 42.011 84.021 0.434 3.04 4 39.0 27.1
207 8 1 -2 42.035 84.069 0.435 3.04 4 38.3 26.2
208 2 4 2 42.049 84.098 0.435 3.03 4 53.0 50.1
209 5 4 -1 42.05 84.101 0.435 3.03 4 2.3 0.1
210 5 4 0 42.149 84.298 0.436 3.02 4 37.9 25.6
211 4 0 -4 42.224 84.448 0.436 3.02 2 146.8 190.9
212 4 4 -2 42.46 84.92 0.438 3.0 4 36.4 23.4
213 7 2 1 42.568 85.135 0.439 2.99 4 70.6 87.6
214 1 5 0 42.569 85.137 0.439 2.99 4 43.8 33.7
215 6 3 1 42.587 85.174 0.439 2.99 4 99.8 174.9
216 0 1 4 42.714 85.429 0.44 2.98 4 79.1 109.5
217 7 1 -3 42.717 85.435 0.44 2.98 4 105.6 195.0
218 7 3 -1 43.032 86.063 0.443 2.95 4 5.9 0.6
219 8 2 -1 43.081 86.161 0.443 2.95 4 79.6 109.6
220 4 1 -4 43.261 86.522 0.445 2.93 4 33.3 19.2
221 1 0 4 43.397 86.794 0.446 2.92 2 24.9 5.3
222 2 3 3 43.404 86.808 0.446 2.92 4 116.6 233.4
223 2 5 0 43.682 87.364 0.448 2.91 4 45.9 36.0
224 0 5 1 43.784 87.568 0.449 2.9 4 104.0 184.1
225 7 3 0 43.803 87.607 0.449 2.9 4 32.6 18.1
226 1 5 -1 43.818 87.636 0.449 2.9 4 13.7 3.2
227 5 3 -3 44.121 88.242 0.452 2.88 4 96.5 157.4
228 6 2 2 44.187 88.374 0.452 2.87 4 52.4 46.3
229 8 2 0 44.189 88.377 0.452 2.87 4 103.7 181.4
230 5 0 -4 44.216 88.432 0.453 2.87 2 0.9 0.0
231 8 0 1 44.326 88.652 0.454 2.86 2 112.7 107.0
232 1 1 4 44.432 88.864 0.454 2.86 4 53.7 48.3
233 1 5 1 44.491 88.982 0.455 2.86 4 114.2 218.7
234 3 4 2 44.578 89.157 0.456 2.85 4 13.2 2.9
235 2 5 -1 44.593 89.186 0.456 2.85 4 115.9 225.1
236 2 2 -4 44.61 89.22 0.456 2.85 4 52.3 45.8
237 5 3 2 44.611 89.222 0.456 2.85 4 83.3 116.0
238 4 2 3 44.696 89.393 0.457 2.84 4 40.3 27.1
239 1 2 -4 44.844 89.688 0.458 2.84 4 92.9 143.8
240 5 0 3 44.902 89.804 0.458 2.83 2 14.6 1.8
241 9 0 -1 44.906 89.811 0.458 2.83 2 3.0 0.1
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 1 0 0 4.611 9.223 9.58117 1742.5 17.1 17.3 5.6
2 1 1 0 9.007 18.014 4.92019 1953.9 19.1 19.3 5.6
3 2 0 0 9.253 18.506 4.79059 523.9 5.1 5.2 5.6
4 0 0 1 9.569 19.137 4.6339 292.9 2.9 2.9 5.6
5 1 0 -1 9.672 19.344 4.58479 3414.0 33.4 33.6 5.6
6 2 1 0 12.094 24.189 3.67636 804.6 7.9 7.9 5.6
7 0 1 1 12.341 24.681 3.60411 5657.6 55.4 55.5 5.6
8 3 0 0 13.957 27.913 3.19372 10215.1 100.0 100.0 5.6
9 2 1 -1 14.154 28.308 3.15005 5318.1 52.1 52.0 5.6
10 2 0 1 14.796 29.593 3.01615 926.4 9.1 9.1 5.6
11 0 2 0 15.585 31.17 2.867 1935.9 19.0 18.9 5.6
12 1 2 0 16.287 32.573 2.74667 2355.2 23.1 23.0 5.6
13 3 1 -1 17.078 34.156 2.62293 2472.8 24.2 24.1 5.7
14 2 2 0 18.247 36.493 2.4601 843.4 8.3 8.2 5.7
15 0 2 1 18.417 36.835 2.43809 1074.5 10.5 10.4 5.7
16 1 2 -1 18.474 36.948 2.43085 182.9 1.8 1.8 5.7
17 1 0 -2 18.931 37.862 2.37428 500.0 4.9 4.9 5.7
18 4 0 -1 19.146 38.293 2.34854 1501.6 14.7 14.6 5.7
19 1 2 1 19.565 39.131 2.30014 1320.4 12.9 12.8 5.7
20 2 0 -2 19.634 39.269 2.2924 1256.1 12.3 12.2 5.7
21 2 2 -1 19.727 39.454 2.28205 230.9 2.3 2.2 5.7
22 3 1 1 20.396 40.791 2.21027 1829.4 17.9 17.7 5.7
23 1 1 -2 20.557 41.114 2.19366 1073.4 10.5 10.4 5.7
24 1 0 2 21.026 42.051 2.14692 1771.4 17.3 17.1 5.7
25 3 2 0 21.164 42.329 2.13346 1286.8 12.6 12.4 5.7
26 2 2 1 21.758 43.515 2.078 171.2 1.7 1.7 5.7
27 3 2 -1 22.004 44.008 2.05586 441.7 4.3 4.3 5.7
28 3 1 -2 22.909 45.818 1.97877 189.6 1.9 1.8 5.7
29 2 0 2 23.567 47.133 1.92659 149.3 1.5 1.4 5.7
30 1 3 0 24.264 48.529 1.8744 250.2 2.4 2.4 5.7
31 4 1 1 24.545 49.09 1.85427 1223.4 12.0 11.7 5.7
32 4 2 0 24.774 49.549 1.83818 1527.9 15.0 14.6 5.7
33 1 2 -2 24.912 49.825 1.82863 1209.0 11.8 11.6 5.7
34 5 1 -1 24.949 49.897 1.82614 1367.6 13.4 13.1 5.7
35 5 1 0 25.077 50.153 1.81743 322.5 3.2 3.1 5.7
36 0 2 2 25.306 50.611 1.80205 625.2 6.1 6.0 5.8
37 2 2 -2 25.482 50.963 1.79043 902.7 8.8 8.6 5.8
38 2 3 0 25.715 51.43 1.77525 132.0 1.3 1.3 5.8
39 0 3 1 25.845 51.691 1.76693 729.0 7.1 7.0 5.8
40 1 2 2 26.63 53.26 1.71849 213.7 2.1 2.0 5.8
41 1 3 1 26.735 53.47 1.71225 703.8 6.9 6.7 5.8
42 2 3 -1 26.862 53.724 1.70475 859.0 8.4 8.2 5.8
43 3 2 -2 26.969 53.938 1.69849 526.7 5.2 5.0 5.8
44 5 0 -2 27.515 55.03 1.66734 593.8 5.8 5.7 5.8
45 5 0 1 27.872 55.744 1.64765 240.0 2.3 2.3 5.8
46 3 1 2 28.107 56.214 1.63501 133.2 1.3 1.3 5.8
47 4 2 1 28.433 56.866 1.61778 389.5 3.8 3.7 5.8
48 3 3 -1 28.7 57.4 1.60401 634.0 6.2 6.0 5.8
49 2 2 2 28.797 57.593 1.59908 788.7 7.7 7.5 5.8
50 6 0 0 28.84 57.681 1.59686 640.4 6.3 6.1 5.8
51 5 2 0 28.914 57.828 1.59315 643.2 6.3 6.1 5.8
52 4 2 -2 29.279 58.557 1.57503 771.4 7.6 7.3 5.8
53 6 1 -1 29.545 59.089 1.56211 410.6 4.0 3.9 5.8
54 0 0 3 29.913 59.826 1.54463 335.9 3.3 3.2 5.8
55 3 0 -3 30.267 60.533 1.52826 276.5 2.7 2.6 5.8
56 1 1 -3 30.368 60.737 1.52363 550.6 5.4 5.2 5.8
57 2 1 -3 30.485 60.971 1.51833 279.1 2.7 2.6 5.8
58 4 0 2 30.715 61.43 1.50808 602.3 5.9 5.7 5.8
59 3 3 1 31.036 62.072 1.49401 486.8 4.8 4.6 5.8
60 1 3 -2 31.156 62.311 1.48885 260.6 2.6 2.5 5.8
61 0 3 2 31.496 62.992 1.4744 187.8 1.8 1.8 5.9
62 3 2 2 31.698 63.396 1.46596 175.3 1.7 1.6 5.9
63 5 2 -2 32.305 64.61 1.44132 276.6 2.7 2.6 5.9
64 0 4 0 32.503 65.006 1.4335 723.7 7.1 6.8 5.9
65 1 3 2 32.655 65.309 1.42757 450.0 4.4 4.2 5.9
66 4 1 -3 33.194 66.387 1.40698 450.2 4.4 4.2 5.9
67 7 0 -1 33.414 66.829 1.39875 169.0 1.7 1.6 5.9
68 6 2 0 33.514 67.029 1.39506 416.1 4.1 3.9 5.9
69 1 2 -3 33.816 67.632 1.38408 247.6 2.4 2.3 5.9
70 6 1 1 34.054 68.108 1.37557 292.8 2.9 2.7 5.9
71 4 3 1 34.261 68.523 1.36825 780.5 7.6 7.3 5.9
72 5 3 -1 34.59 69.181 1.35683 581.1 5.7 5.4 5.9
73 2 1 3 34.927 69.854 1.34539 445.9 4.4 4.1 5.9
74 4 3 -2 35.026 70.051 1.34209 137.4 1.3 1.3 5.9
75 4 2 2 35.248 70.497 1.33469 184.0 1.8 1.7 5.9
76 5 1 -3 35.686 71.372 1.32046 290.4 2.8 2.7 5.9
77 6 2 -2 35.969 71.937 1.31146 176.8 1.7 1.6 5.9
78 3 4 0 36.085 72.17 1.3078 737.6 7.2 6.8 5.9
79 5 1 2 36.201 72.403 1.30418 178.5 1.7 1.7 5.9
80 4 2 -3 36.503 73.006 1.29489 516.7 5.1 4.8 6.0
81 3 0 3 36.85 73.7 1.28439 138.9 1.4 1.3 6.0
82 7 1 -2 37.056 74.112 1.27827 127.3 1.2 1.2 6.0
83 6 0 -3 37.805 75.61 1.25663 130.8 1.3 1.2 6.0
84 2 2 3 38.171 76.341 1.2464 145.6 1.4 1.3 6.0
85 6 3 -1 38.5 76.999 1.23738 203.1 2.0 1.9 6.0
86 7 2 0 38.58 77.161 1.23519 278.0 2.7 2.5 6.0
87 1 4 -2 38.88 77.759 1.22717 153.2 1.5 1.4 6.0
88 4 4 -1 39.016 78.031 1.22358 324.3 3.2 3.0 6.0
89 1 3 -3 39.229 78.458 1.21799 280.5 2.7 2.6 6.0
90 2 4 -2 39.328 78.655 1.21543 547.0 5.4 5.0 6.0
91 5 2 2 39.406 78.811 1.21341 592.7 5.8 5.4 6.0
92 8 1 -1 39.954 79.908 1.19949 275.5 2.7 2.5 6.0
93 1 4 2 40.249 80.498 1.19218 690.8 6.8 6.3 6.0
94 1 0 -4 40.692 81.384 1.18143 199.2 2.0 1.8 6.1
95 8 0 -2 40.993 81.986 1.17427 259.3 2.5 2.4 6.1
96 3 2 3 41.083 82.166 1.17214 171.4 1.7 1.6 6.1
97 1 3 3 41.275 82.55 1.16767 228.3 2.2 2.1 6.1
98 4 1 3 41.586 83.173 1.1605 135.1 1.3 1.2 6.1
99 4 3 -3 41.79 83.58 1.15588 261.9 2.6 2.4 6.1
100 3 1 -4 42.009 84.019 1.15095 178.7 1.7 1.6 6.1
101 4 0 -4 42.224 84.448 1.1462 190.9 1.9 1.7 6.1
102 6 3 1 42.587 85.174 1.13827 296.2 2.9 2.7 6.1
103 7 1 -3 42.717 85.435 1.13547 304.5 3.0 2.7 6.1
104 8 2 -1 43.081 86.161 1.12774 109.6 1.1 1.0 6.1
105 2 3 3 43.404 86.808 1.121 238.7 2.3 2.1 6.1
106 0 5 1 43.784 87.568 1.11322 202.1 2.0 1.8 6.2
107 5 3 -3 44.121 88.242 1.10645 157.4 1.5 1.4 6.2
108 8 2 0 44.189 88.377 1.1051 227.7 2.2 2.0 6.2
109 8 0 1 44.326 88.652 1.10239 107.0 1.0 1.0 6.2
110 1 5 1 44.491 88.982 1.09915 218.7 2.1 1.9 6.2
111 2 5 -1 44.593 89.186 1.09716 389.8 3.8 3.5 6.2
112 1 2 -4 44.844 89.688 1.09232 143.8 1.4 1.3 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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