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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TANGEITE
2
[Ca(0.63)Sr(0.22)Pb(0.13)][Cu(0.98)Mn(0.02)](OH)[V(0.67)As(0.33)]O(4)
Orthorhombic P 2(1)2(1)2(1) Z = 4
R =0.033 NR =1181
11 .4 .1995
Ref.Str.:
Basso R., Palenzona A., Zefiro L. (1989)
* Neues Jb. Miner., Mh., H.7, 300-308
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.836 alpha = 90.0
b = 7.43 beta = 90.0
c = 9.347 gamma = 90.0
Unit cell volume (cub. angs.) = 405.3
Molar volume ( cub.cm/mol.) = 61.03
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.9803 0.1314 0.8231 0.89 Ca = 0.63, Sr = 0.22, Pb = 0.13
2 0.2503 0.246 0.5005 0.66 Cu = 0.98, Mn = 0.02
3 0.4874 0.884 0.6673 0.57 V = 0.67, As = 0.33
4 0.5037 0.064 0.5502 1.07 O = 1.00
5 0.4323 0.7105 0.5586 1.43 O = 1.00
6 0.7383 0.8623 0.7583 1.17 O = 1.00
7 0.2584 0.8967 0.7778 1.24 O = 1.00
8 0.9967 0.1087 0.5682 0.85 O = 1.00
9 0.012 0.006 0.499 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.9803 0.1314 0.8231
2 2 0.2503 0.246 0.5005
3 3 0.4874 0.884 0.6673
4 4 0.5037 0.064 0.5502
5 5 0.4323 0.7105 0.5586
6 6 0.7383 0.8623 0.7583
7 7 0.2584 0.8967 0.7778
8 8 0.9967 0.1087 0.5682
9 9 0.012 0.006 0.499
10 1 0.5197 0.8686 0.3231
11 2 0.2497 0.754 0.0005
12 3 0.0126 0.116 0.1673
13 4 0.9963 0.936 0.0502
14 5 0.0677 0.2895 0.0586
15 6 0.7617 0.1377 0.2583
16 7 0.2416 0.1033 0.2778
17 8 0.5033 0.8913 0.0682
18 9 0.488 0.994 0.999
19 1 0.0197 0.6314 0.6769
20 2 0.7497 0.746 0.9995
21 3 0.5126 0.384 0.8327
22 4 0.4963 0.564 0.9498
23 5 0.5677 0.2105 0.9414
24 6 0.2617 0.3623 0.7417
25 7 0.7416 0.3967 0.7222
26 8 0.0033 0.6087 0.9318
27 9 0.988 0.506 0.001
28 1 0.4803 0.3686 0.1769
29 2 0.7503 0.254 0.4995
30 3 0.9874 0.616 0.3327
31 4 0.0037 0.436 0.4498
32 5 0.9323 0.7895 0.4414
33 6 0.2383 0.6377 0.2417
34 7 0.7584 0.6033 0.2222
35 8 0.4967 0.3913 0.4318
36 9 0.512 0.494 0.501
X-ray density (g/cm cub.) = 4.49
MU (1/cm) = 445.364 Mass attenuation coefficient (cm**2/g) = 99.191
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Sr ,Pb 3.144 8
2.5217 6
2.4196 7
2.3904 8
2.5734 4
2.5466 5
2.7141 5
2.4938 6
2.5914 7
2 Cu ,Mn 2.808 6
2.057 4
1.9057 8
2.3366 7
2.4153 6
2.0709 4
1.9094 8
3 V ,As 2.496 4
1.7308 4
1.6726 5
1.701 6
1.6917 7
4 O 3.264 10
2.6605 5
2.8114 6
2.8496 7
2.9011 8
2.9822 8
3.164 6
2.9846 7
3.1798 6
3.2593 7
2.6721 8
5 O 3.264 8
2.6605 4
2.8188 6
2.6724 7
3.2578 6
3.1716 5
3.1716 5
3.2169 6
2.6778 8
6 O 3.264 11
2.8114 4
2.8188 5
3.0515 7
2.8182 7
2.9636 8
3.164 4
3.2121 8
3.1798 4
3.2578 5
2.9278 8
3.2169 5
7 O 3.264 9
2.8496 4
2.6724 5
2.8182 6
3.0515 6
2.9414 8
2.9846 4
3.0679 8
3.2593 4
2.9778 8
8 O 3.264 10
2.9822 4
2.9011 4
2.9636 6
2.9414 7
3.2121 6
3.0679 7
2.9278 6
2.9778 7
2.6721 4
2.6778 5
9 H 1.632 1
1.0043 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 0 1 1 7.61 15.221 0.086 111.08 4 43.2 503.7
2 1 0 1 8.952 17.903 0.101 79.67 4 14.6 41.4
3 0 0 2 9.487 18.973 0.107 70.7 2 2.9 0.7
4 1 1 0 9.662 19.324 0.109 68.08 4 1.1 0.2
5 1 1 1 10.776 21.553 0.121 54.31 8 58.9 917.4
6 0 1 2 11.228 22.456 0.126 49.86 4 12.8 19.9
7 0 2 0 11.967 23.933 0.135 43.64 2 90.4 433.9
8 1 0 2 12.19 24.38 0.137 41.98 4 16.5 27.9
9 0 2 1 12.892 25.785 0.145 37.31 4 6.6 3.9
10 1 1 2 13.605 27.211 0.153 33.3 8 7.4 8.9
11 1 2 0 14.228 28.457 0.16 30.28 4 175.1 2260.8
12 1 2 1 15.025 30.049 0.168 26.95 8 17.3 39.1
13 2 0 0 15.306 30.612 0.171 25.9 2 95.5 287.8
14 0 2 2 15.359 30.719 0.172 25.71 4 91.7 526.2
15 0 1 3 15.55 31.101 0.174 25.03 4 204.0 2537.5
16 2 0 1 16.054 32.108 0.18 23.37 4 11.2 7.2
17 1 0 3 16.275 32.551 0.182 22.69 4 29.6 48.4
18 2 1 0 16.475 32.951 0.184 22.1 4 5.6 1.7
19 2 1 1 17.178 34.355 0.192 20.18 8 141.9 1978.5
20 1 2 2 17.214 34.427 0.192 20.09 8 102.3 1023.8
21 1 1 3 17.386 34.773 0.194 19.65 8 114.4 1253.0
22 2 0 2 18.132 36.264 0.202 17.93 4 95.8 400.6
23 0 3 1 18.769 37.537 0.209 16.62 4 89.2 322.1
24 0 2 3 18.824 37.648 0.209 16.51 4 62.5 156.8
25 2 1 2 19.149 38.297 0.213 15.9 8 32.3 80.9
26 0 0 4 19.247 38.494 0.214 15.72 2 73.5 103.3
27 2 2 0 19.613 39.227 0.218 15.08 4 95.9 337.6
28 1 3 0 19.747 39.493 0.219 14.85 4 14.3 7.4
29 0 1 4 20.216 40.431 0.224 14.1 4 52.5 94.4
30 2 2 1 20.221 40.441 0.224 14.09 8 69.9 335.3
31 1 3 1 20.351 40.702 0.226 13.89 8 30.8 64.2
32 1 2 3 20.403 40.805 0.226 13.81 8 9.9 6.6
33 0 3 2 20.609 41.218 0.228 13.5 4 29.8 29.1
34 1 0 4 20.798 41.597 0.23 13.23 4 1.3 0.1
35 2 0 3 21.203 42.405 0.235 12.67 4 16.5 8.4
36 1 1 4 21.71 43.419 0.24 12.02 8 41.8 102.1
37 2 2 2 21.959 43.919 0.243 11.71 8 96.5 531.0
38 1 3 2 22.081 44.162 0.244 11.57 8 15.3 13.2
39 2 1 3 22.101 44.201 0.244 11.54 8 29.8 50.0
40 0 2 4 22.919 45.837 0.253 10.63 4 81.8 173.3
41 0 3 3 23.41 46.82 0.258 10.14 4 31.8 24.9
42 3 0 1 23.857 47.713 0.263 9.71 4 18.6 8.2
43 2 3 0 24.075 48.151 0.265 9.51 4 12.2 3.5
44 3 1 0 24.161 48.323 0.266 9.43 4 18.5 7.8
45 1 2 4 24.279 48.559 0.267 9.33 8 57.9 152.6
46 0 4 0 24.5 48.999 0.269 9.14 2 97.9 106.6
47 2 3 1 24.594 49.187 0.27 9.06 8 69.2 211.3
48 2 2 3 24.638 49.277 0.271 9.02 8 15.8 11.0
49 3 1 1 24.678 49.357 0.271 8.99 8 59.5 154.8
50 1 3 3 24.75 49.499 0.272 8.93 8 107.9 506.7
51 2 0 4 24.98 49.961 0.274 8.75 4 156.7 522.6
52 0 4 1 25.011 50.022 0.274 8.72 4 24.3 12.6
53 0 1 5 25.144 50.287 0.276 8.62 4 24.6 12.7
54 3 0 2 25.398 50.795 0.278 8.42 4 48.0 47.2
55 1 0 5 25.637 51.274 0.281 8.24 4 14.6 4.3
56 2 1 4 25.776 51.551 0.282 8.14 8 22.1 19.5
57 1 4 0 25.797 51.594 0.282 8.13 4 4.6 0.4
58 2 3 2 26.102 52.205 0.286 7.91 8 15.1 8.8
59 3 1 2 26.184 52.367 0.286 7.86 8 2.2 0.2
60 1 4 1 26.29 52.58 0.288 7.78 8 24.9 23.5
61 1 1 5 26.418 52.836 0.289 7.7 8 69.3 180.0
62 0 4 2 26.503 53.005 0.29 7.64 4 181.5 613.3
63 3 2 0 26.549 53.098 0.29 7.61 4 129.6 311.3
64 0 3 4 26.949 53.898 0.294 7.36 4 24.5 10.8
65 3 2 1 27.033 54.065 0.295 7.31 8 12.3 5.4
66 0 2 5 27.469 54.939 0.299 7.05 4 9.9 1.7
67 1 4 2 27.733 55.466 0.302 6.89 8 5.7 1.1
68 3 0 3 27.827 55.654 0.303 6.84 4 19.1 6.1
69 2 2 4 28.064 56.129 0.305 6.71 8 84.1 231.1
70 1 3 4 28.166 56.332 0.306 6.66 8 8.8 2.5
71 3 2 2 28.45 56.899 0.309 6.51 8 67.2 143.1
72 2 3 3 28.49 56.98 0.31 6.49 8 192.5 1169.9
73 3 1 3 28.567 57.133 0.31 6.45 8 88.7 246.8
74 1 2 5 28.671 57.343 0.311 6.39 8 19.4 11.8
75 0 4 3 28.868 57.736 0.313 6.3 4 11.1 1.9
76 2 0 5 29.298 58.596 0.318 6.09 4 11.9 2.1
77 2 4 0 29.444 58.889 0.319 6.02 4 185.8 506.0
78 0 0 6 29.634 59.268 0.321 5.93 2 159.5 183.8
79 2 4 1 29.897 59.793 0.324 5.82 8 16.8 8.0
80 2 1 5 30.014 60.028 0.325 5.77 8 146.0 598.6
81 1 4 3 30.034 60.067 0.325 5.76 8 13.2 4.9
82 3 3 0 30.232 60.464 0.327 5.67 4 20.4 5.7
83 0 1 6 30.345 60.69 0.328 5.63 4 13.9 2.6
84 3 3 1 30.677 61.355 0.331 5.49 8 32.2 27.8
85 3 2 3 30.716 61.432 0.332 5.48 8 8.9 2.1
86 1 0 6 30.782 61.563 0.332 5.45 4 1.3 0.0
87 3 0 4 31.012 62.024 0.334 5.36 4 32.7 14.0
88 0 3 5 31.081 62.162 0.335 5.34 4 128.6 214.9
89 2 4 2 31.23 62.46 0.337 5.28 8 31.2 25.1
90 1 1 6 31.478 62.955 0.339 5.19 8 10.9 3.0
91 2 3 4 31.633 63.266 0.34 5.13 8 13.2 4.3
92 0 5 1 31.659 63.319 0.341 5.12 4 115.4 166.3
93 3 1 4 31.705 63.41 0.341 5.11 8 18.9 8.9
94 4 0 0 31.867 63.734 0.343 5.05 2 237.6 347.1
95 0 4 4 31.988 63.976 0.344 5.01 4 100.8 123.9
96 3 3 2 31.992 63.983 0.344 5.01 8 13.0 4.1
97 2 2 5 32.105 64.209 0.345 4.97 8 46.9 53.3
98 1 3 5 32.198 64.397 0.346 4.94 8 63.3 96.3
99 4 0 1 32.299 64.599 0.347 4.91 4 4.8 0.3
100 1 5 0 32.337 64.674 0.347 4.89 4 2.0 0.0
101 0 2 6 32.423 64.847 0.348 4.87 4 68.2 55.2
102 4 1 0 32.55 65.1 0.349 4.82 4 1.0 0.0
103 1 5 1 32.766 65.532 0.351 4.76 8 45.1 47.2
104 0 5 2 32.952 65.903 0.353 4.7 4 28.0 9.0
105 4 1 1 32.977 65.955 0.353 4.69 8 57.9 76.5
106 1 4 4 33.089 66.177 0.354 4.66 8 13.1 3.9
107 2 4 3 33.384 66.768 0.357 4.57 8 10.9 2.6
108 1 2 6 33.516 67.033 0.358 4.53 8 110.8 271.2
109 4 0 2 33.579 67.157 0.359 4.52 4 4.0 0.2
110 3 2 4 33.736 67.473 0.361 4.47 8 51.7 58.1
111 1 5 2 34.036 68.072 0.363 4.39 8 18.2 7.1
112 2 0 6 34.091 68.182 0.364 4.37 4 42.5 19.2
113 3 3 3 34.12 68.24 0.364 4.37 8 83.2 147.3
114 4 1 2 34.244 68.487 0.365 4.33 8 19.6 8.1
115 4 2 0 34.556 69.111 0.368 4.25 4 54.5 30.7
116 2 1 6 34.751 69.503 0.37 4.21 8 12.4 3.1
117 3 0 5 34.852 69.705 0.371 4.18 4 3.9 0.2
118 4 2 1 34.971 69.942 0.372 4.15 8 10.1 2.1
119 3 4 0 34.985 69.971 0.372 4.15 4 2.0 0.0
120 0 5 3 35.05 70.101 0.373 4.13 4 4.5 0.2
121 3 4 1 35.399 70.797 0.376 4.05 8 18.6 6.8
122 2 3 5 35.438 70.876 0.376 4.04 8 18.4 6.6
123 3 1 5 35.506 71.012 0.377 4.03 8 56.0 61.5
124 2 5 0 35.57 71.141 0.378 4.01 4 13.3 1.7
125 4 0 3 35.66 71.319 0.378 3.99 4 16.1 2.5
126 0 3 6 35.742 71.484 0.379 3.97 4 31.0 9.3
127 0 4 5 35.774 71.548 0.379 3.97 4 23.0 5.1
128 0 1 7 35.881 71.762 0.38 3.94 4 37.5 13.5
129 2 5 1 35.981 71.961 0.381 3.92 8 31.7 19.3
130 1 5 3 36.105 72.21 0.383 3.9 8 75.7 108.6
131 4 2 2 36.204 72.409 0.383 3.88 8 68.8 89.3
132 1 0 7 36.283 72.566 0.384 3.86 4 4.8 0.2
133 2 4 4 36.29 72.579 0.384 3.86 8 10.8 2.2
134 4 1 3 36.307 72.615 0.384 3.86 8 141.6 376.5
135 3 4 2 36.626 73.252 0.387 3.79 8 26.8 13.3
136 2 2 6 36.7 73.401 0.388 3.78 8 68.1 85.3
137 1 3 6 36.789 73.577 0.389 3.76 8 25.7 12.1
138 1 4 5 36.82 73.64 0.389 3.75 8 15.0 4.1
139 1 1 7 36.926 73.852 0.39 3.73 8 29.5 15.8
140 3 3 4 37.0 74.0 0.391 3.72 8 4.9 0.4
141 2 5 2 37.2 74.4 0.392 3.68 8 31.5 17.8
142 3 2 5 37.439 74.878 0.395 3.64 8 5.0 0.4
143 4 3 0 37.789 75.577 0.398 3.58 4 12.9 1.4
144 0 2 7 37.806 75.613 0.398 3.58 4 38.9 13.2
145 0 5 4 37.901 75.801 0.399 3.56 4 24.1 5.1
146 4 3 1 38.19 76.379 0.401 3.51 8 85.2 124.3
147 4 2 3 38.225 76.449 0.402 3.51 8 24.7 10.4
148 0 6 0 38.465 76.929 0.404 3.47 2 82.9 29.0
149 4 0 4 38.492 76.984 0.404 3.47 4 46.4 18.2
150 3 4 3 38.638 77.276 0.405 3.44 8 12.1 2.4
151 1 2 7 38.832 77.665 0.407 3.41 8 12.0 2.4
152 0 6 1 38.863 77.727 0.407 3.41 4 6.2 0.3
153 1 5 4 38.926 77.851 0.408 3.4 8 35.9 21.3
154 4 1 4 39.123 78.245 0.41 3.37 8 26.6 11.6
155 2 5 3 39.202 78.405 0.41 3.36 8 132.7 288.4
156 3 0 6 39.306 78.612 0.411 3.35 4 18.6 2.8
157 2 0 7 39.375 78.75 0.412 3.34 4 2.8 0.1
158 4 3 2 39.385 78.77 0.412 3.34 8 9.1 1.4
159 1 6 0 39.485 78.97 0.413 3.32 4 127.8 132.2
160 2 3 6 39.868 79.735 0.416 3.27 8 15.0 3.6
161 1 6 1 39.881 79.762 0.416 3.27 8 29.0 13.4
162 2 4 5 39.898 79.797 0.416 3.27 8 24.8 9.8
163 3 1 6 39.933 79.866 0.417 3.26 8 12.9 2.6
164 2 1 7 40.002 80.003 0.417 3.25 8 78.5 97.7
165 0 6 2 40.053 80.106 0.418 3.25 4 70.0 38.7
166 0 4 6 40.19 80.381 0.419 3.23 4 20.5 3.3
167 3 3 5 40.588 81.176 0.422 3.18 8 55.5 47.8
168 3 5 0 40.714 81.429 0.423 3.17 4 7.6 0.5
169 0 3 7 40.947 81.895 0.425 3.14 4 112.1 96.2
170 4 2 4 40.998 81.997 0.426 3.14 8 75.0 85.9
171 1 6 2 41.063 82.126 0.426 3.13 8 41.5 26.3
172 3 5 1 41.108 82.215 0.427 3.13 8 41.4 26.1
173 1 4 6 41.2 82.4 0.428 3.12 8 4.5 0.3
174 0 0 8 41.245 82.489 0.428 3.11 2 27.9 3.0
175 4 3 3 41.357 82.713 0.429 3.1 8 13.5 2.8
176 3 4 4 41.405 82.809 0.429 3.1 8 37.3 20.9
177 0 5 5 41.466 82.932 0.43 3.09 4 107.8 87.5
178 5 0 1 41.687 83.374 0.432 3.07 4 0.6 0.0
179 3 2 6 41.8 83.6 0.433 3.06 8 92.3 126.8
180 0 1 8 41.865 83.73 0.433 3.05 4 22.3 3.7
181 2 2 7 41.868 83.736 0.433 3.05 8 11.8 2.1
182 5 1 0 41.915 83.831 0.434 3.05 4 9.0 0.6
183 1 3 7 41.953 83.907 0.434 3.04 8 29.2 12.7
184 2 5 4 41.96 83.92 0.434 3.04 8 5.2 0.4
185 0 6 3 42.018 84.035 0.434 3.04 4 2.1 0.0
186 4 0 5 42.045 84.09 0.435 3.03 4 15.0 1.7
187 4 4 0 42.171 84.341 0.436 3.02 4 56.8 23.7
188 1 0 8 42.249 84.498 0.436 3.02 4 13.9 1.4
189 3 5 2 42.283 84.566 0.437 3.01 8 21.4 6.7
190 5 1 1 42.306 84.613 0.437 3.01 8 45.7 30.6
191 1 5 5 42.47 84.94 0.438 3.0 8 49.0 35.0
192 2 6 0 42.51 85.021 0.439 2.99 4 47.5 16.4
193 4 4 1 42.561 85.123 0.439 2.99 8 14.8 3.2
194 4 1 5 42.663 85.327 0.44 2.98 8 30.2 13.3
195 5 0 2 42.86 85.72 0.442 2.96 4 42.9 13.3
196 1 1 8 42.867 85.735 0.442 2.96 8 4.1 0.2
197 2 6 1 42.901 85.802 0.442 2.96 8 22.3 7.2
198 1 6 3 43.02 86.039 0.443 2.95 8 15.4 3.4
199 5 1 2 43.477 86.954 0.447 2.92 8 5.5 0.4
200 0 2 8 43.718 87.436 0.449 2.9 4 57.9 23.7
201 4 4 2 43.731 87.462 0.449 2.9 8 117.9 196.5
202 5 2 0 43.768 87.537 0.449 2.9 4 96.3 65.5
203 2 6 2 44.07 88.14 0.451 2.88 8 51.6 37.4
204 4 3 4 44.09 88.18 0.452 2.88 8 19.9 5.6
205 5 2 1 44.158 88.315 0.452 2.87 8 14.5 2.9
206 2 4 6 44.205 88.411 0.453 2.87 8 155.4 337.9
207 3 5 3 44.232 88.465 0.453 2.87 8 67.0 62.7
208 3 0 7 44.402 88.804 0.454 2.86 4 2.6 0.0
209 4 2 5 44.513 89.027 0.455 2.85 8 7.3 0.7
210 1 2 8 44.717 89.433 0.457 2.84 8 68.9 65.7
211 0 6 4 44.747 89.494 0.457 2.84 4 54.9 20.9
212 5 0 3 44.807 89.615 0.457 2.84 4 2.1 0.0
213 3 3 6 44.886 89.771 0.458 2.83 8 20.2 5.6
214 3 4 5 44.916 89.832 0.458 2.83 8 13.7 2.6
215 2 3 7 44.953 89.907 0.459 2.83 8 33.5 15.5
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 1 1 7.61 15.221 5.81628 503.7 19.8 20.1 5.6
2 1 0 1 8.952 17.903 4.95032 41.4 1.6 1.6 5.6
3 1 1 1 10.776 21.553 4.11968 917.4 36.2 36.4 5.6
4 0 2 0 11.967 23.933 3.715 433.9 17.1 17.2 5.6
5 1 0 2 12.19 24.38 3.64796 27.9 1.1 1.1 5.6
6 1 2 0 14.228 28.457 3.13392 2260.8 89.1 89.3 5.6
7 1 2 1 15.025 30.049 2.97135 39.1 1.5 1.5 5.6
8 2 0 0 15.306 30.612 2.918 287.8 11.3 11.3 5.6
9 0 2 2 15.359 30.719 2.90814 526.2 20.7 20.7 5.6
10 0 1 3 15.55 31.101 2.87327 2537.5 100.0 100.0 5.6
11 1 0 3 16.275 32.551 2.7485 48.4 1.9 1.9 5.6
12 2 1 1 17.178 34.355 2.60817 1978.5 78.0 77.7 5.7
13 1 2 2 17.214 34.427 2.60287 1023.8 40.3 40.2 5.7
14 1 1 3 17.386 34.773 2.57778 1253.0 49.4 49.2 5.7
15 2 0 2 18.132 36.264 2.47516 400.6 15.8 15.7 5.7
16 0 3 1 18.769 37.537 2.39405 322.1 12.7 12.6 5.7
17 0 2 3 18.824 37.648 2.38724 156.8 6.2 6.1 5.7
18 2 1 2 19.149 38.297 2.34828 80.9 3.2 3.2 5.7
19 0 0 4 19.247 38.494 2.33675 103.3 4.1 4.0 5.7
20 2 2 0 19.613 39.227 2.29476 337.6 13.3 13.2 5.7
21 2 2 1 20.221 40.441 2.22858 429.7 16.9 16.8 5.7
22 1 3 1 20.351 40.702 2.21493 64.2 2.5 2.5 5.7
23 0 3 2 20.609 41.218 2.18837 29.1 1.1 1.1 5.7
24 1 1 4 21.71 43.419 2.08238 102.1 4.0 4.0 5.7
25 2 2 2 21.959 43.919 2.05984 531.0 20.9 20.7 5.7
26 2 1 3 22.101 44.201 2.04734 63.1 2.5 2.5 5.7
27 0 2 4 22.919 45.837 1.97799 173.3 6.8 6.7 5.7
28 1 2 4 24.279 48.559 1.87332 152.6 6.0 5.9 5.7
29 0 4 0 24.5 48.999 1.8575 106.6 4.2 4.1 5.7
30 2 3 1 24.594 49.187 1.85084 211.3 8.3 8.2 5.7
31 3 1 1 24.678 49.357 1.84488 154.8 6.1 6.0 5.7
32 1 3 3 24.75 49.499 1.83989 506.7 20.0 19.6 5.7
33 2 0 4 24.98 49.961 1.82398 522.6 20.6 20.2 5.7
34 3 0 2 25.398 50.795 1.79596 47.2 1.9 1.8 5.8
35 1 1 5 26.418 52.836 1.73129 180.0 7.1 6.9 5.8
36 0 4 2 26.503 53.005 1.72616 613.3 24.2 23.6 5.8
37 3 2 0 26.549 53.098 1.72336 311.3 12.3 12.0 5.8
38 2 2 4 28.064 56.129 1.63728 231.1 9.1 8.9 5.8
39 3 2 2 28.45 56.899 1.61693 143.1 5.6 5.5 5.8
40 2 3 3 28.49 56.98 1.61482 1169.9 46.1 44.8 5.8
41 3 1 3 28.567 57.133 1.61086 246.8 9.7 9.5 5.8
42 2 4 0 29.444 58.889 1.56696 506.0 19.9 19.3 5.8
43 0 0 6 29.634 59.268 1.55783 183.8 7.2 7.0 5.8
44 2 1 5 30.014 60.028 1.5399 603.5 23.8 23.0 5.8
45 3 3 1 30.677 61.355 1.50975 27.8 1.1 1.1 5.8
46 0 3 5 31.081 62.162 1.49207 214.9 8.5 8.2 5.8
47 0 5 1 31.659 63.319 1.46757 170.6 6.7 6.5 5.9
48 4 0 0 31.867 63.734 1.459 347.1 13.7 13.2 5.9
49 0 4 4 31.988 63.976 1.45407 128.0 5.0 4.9 5.9
50 2 2 5 32.105 64.209 1.44935 53.3 2.1 2.0 5.9
51 1 3 5 32.198 64.397 1.44557 96.3 3.8 3.6 5.9
52 0 2 6 32.423 64.847 1.43663 55.2 2.2 2.1 5.9
53 1 5 1 32.766 65.532 1.42326 47.2 1.9 1.8 5.9
54 4 1 1 32.977 65.955 1.41516 85.5 3.4 3.2 5.9
55 1 2 6 33.516 67.033 1.39499 271.2 10.7 10.2 5.9
56 3 2 4 33.736 67.473 1.38696 58.1 2.3 2.2 5.9
57 3 3 3 34.12 68.24 1.37323 166.5 6.6 6.3 5.9
58 4 2 0 34.556 69.111 1.35802 30.7 1.2 1.2 5.9
59 3 1 5 35.506 71.012 1.32626 61.5 2.4 2.3 5.9
60 1 5 3 36.105 72.21 1.30718 108.6 4.3 4.1 5.9
61 4 2 2 36.204 72.409 1.30408 89.3 3.5 3.3 5.9
62 4 1 3 36.307 72.615 1.30089 378.7 14.9 14.1 6.0
63 2 2 6 36.7 73.401 1.28889 85.3 3.4 3.2 6.0
64 4 3 1 38.19 76.379 1.24587 124.3 4.9 4.6 6.0
65 0 6 0 38.465 76.929 1.23833 47.2 1.9 1.7 6.0
66 2 5 3 39.202 78.405 1.21868 288.4 11.4 10.6 6.0
67 1 6 0 39.485 78.97 1.21136 132.2 5.2 4.9 6.0
68 1 6 1 39.881 79.762 1.20132 26.7 1.1 1.0 6.0
69 2 1 7 40.002 80.003 1.1983 97.7 3.9 3.6 6.0
70 0 6 2 40.053 80.106 1.19703 38.7 1.5 1.4 6.0
71 3 3 5 40.588 81.176 1.18393 47.8 1.9 1.8 6.1
72 0 3 7 40.947 81.895 1.17534 96.2 3.8 3.5 6.1
73 4 2 4 40.998 81.997 1.17414 85.9 3.4 3.1 6.1
74 1 6 2 41.063 82.126 1.17261 26.3 1.0 1.0 6.1
75 3 5 1 41.108 82.215 1.17157 26.1 1.0 1.0 6.1
76 0 5 5 41.466 82.932 1.16326 87.5 3.4 3.2 6.1
77 3 2 6 41.8 83.6 1.15565 126.8 5.0 4.6 6.1
78 5 1 1 42.306 84.613 1.14438 37.3 1.5 1.4 6.1
79 1 5 5 42.47 84.94 1.14081 35.0 1.4 1.3 6.1
80 4 4 2 43.731 87.462 1.11429 220.2 8.7 7.9 6.2
81 5 2 0 43.768 87.537 1.11353 65.5 2.6 2.4 6.2
82 2 6 2 44.07 88.14 1.10746 42.9 1.7 1.5 6.2
83 2 4 6 44.205 88.411 1.10477 400.6 15.8 14.4 6.2
84 1 2 8 44.717 89.433 1.09477 86.6 3.4 3.1 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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