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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BAHIANITE
1
Al(5)Sb(3)O(14)(O,OH)(2)
Monoclinic C 2/m Z = 2
C2/m
27 .4 .1988
Ref.Str.:
Moore P.B., Ataki t. (1976)
* Neues Jb. Miner., Abh., 126, 113-125
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.406 alpha = 90.0
b = 11.541 beta = 90.94
c = 4.41 gamma = 90.0
Unit cell volume (cub. angs.) = 478.66
Molar volume ( cub.cm/mol.) = 144.16
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Sb = 1.00
2 0.0 0.2688 0.0 0.0 Sb = 1.00
3 0.0 0.5 0.5 0.0 Al = 1.00
4 0.2364 0.13 0.4909 0.0 Al = 1.00
5 0.1571 0.0 0.2896 0.0 O = 1.00
6 0.3291 0.0 0.7095 0.0 O = 1.00
7 0.0881 0.1308 0.7831 0.0 O = 1.00
8 0.164 0.2557 0.2798 0.0 O = 1.00
9 0.4078 0.1144 0.2487 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0 0.2688 0.0
3 3 0.0 0.5 0.5
4 4 0.2364 0.13 0.4909
5 5 0.1571 0.0 0.2896
6 6 0.3291 0.0 0.7095
7 7 0.0881 0.1308 0.7831
8 8 0.164 0.2557 0.2798
9 9 0.4078 0.1144 0.2487
10 2 0.0 0.7312 0.0
11 4 0.7636 0.87 0.5091
12 5 0.8429 0.0 0.7104
13 6 0.6709 0.0 0.2905
14 7 0.9119 0.8692 0.2169
15 8 0.836 0.7443 0.7202
16 9 0.5922 0.8856 0.7513
17 4 0.2364 0.87 0.4909
18 7 0.0881 0.8692 0.7831
19 8 0.164 0.7443 0.2798
20 9 0.4078 0.8856 0.2487
21 4 0.7636 0.13 0.5091
22 7 0.9119 0.1308 0.2169
23 8 0.836 0.2557 0.7202
24 9 0.5922 0.1144 0.7513
25 1 0.5 0.5 0.0
26 2 0.5 0.2312 0.0
27 3 0.5 0.0 0.5
28 4 0.7364 0.37 0.4909
29 5 0.6571 0.5 0.2896
30 6 0.8291 0.5 0.7095
31 7 0.5881 0.3692 0.7831
32 8 0.664 0.2443 0.2798
33 9 0.9078 0.3856 0.2487
34 2 0.5 0.7688 0.0
35 4 0.2636 0.63 0.5091
36 5 0.3429 0.5 0.7104
37 6 0.1709 0.5 0.2905
38 7 0.4119 0.6308 0.2169
39 8 0.336 0.7557 0.7202
40 9 0.0922 0.6144 0.7513
41 4 0.7364 0.63 0.4909
42 7 0.5881 0.6308 0.7831
43 8 0.664 0.7557 0.2798
44 9 0.9078 0.6144 0.2487
45 4 0.2636 0.37 0.5091
46 7 0.4119 0.3692 0.2169
47 8 0.336 0.2443 0.7202
48 9 0.0922 0.3856 0.7513
X-ray density (g/cm cub.) = 5.24
MU (1/cm) = 749.905 Mass attenuation coefficient (cm**2/g) = 142.987
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sb 2.712 6
1.9372 5
1.9765 7
1.9372 5
1.9765 7
1.9765 7
1.9765 7
2 Sb 2.712 6
2.0406 7
1.9653 8
2.0406 7
1.9653 8
1.9502 9
1.9502 9
3 Al 2.316 6
1.8672 6
1.9214 9
1.8672 6
1.9214 9
1.9214 9
1.9214 9
4 Al 2.316 6
1.8904 5
1.9781 6
1.9145 7
1.8477 8
1.9568 9
1.8998 8
5 O 3.264 12
2.4389 6
3.0492 6
2.7355 7
2.7644 7
2.9521 8
2.7111 9
2.7707 7
2.7355 7
2.7644 7
2.9521 8
2.7111 9
2.7707 7
6 O 3.264 12
3.0492 5
2.4389 5
2.7472 7
2.8085 9
2.5436 9
2.8083 9
2.7472 7
2.8085 9
2.5436 9
2.8083 9
2.8206 8
2.8206 8
7 O 3.264 12
2.7644 5
2.7355 5
2.7472 6
2.7082 8
2.7506 8
2.7707 5
3.0191 7
2.5516 7
2.9742 7
2.785 8
2.6928 8
2.9443 9
8 O 3.264 12
2.9521 5
2.7506 7
2.7082 7
2.8191 9
2.785 7
2.8395 9
2.8206 6
2.6928 7
2.5107 8
2.9759 8
2.6596 9
2.8433 9
9 O 3.264 12
2.7111 5
2.5436 6
2.8085 6
2.8191 8
2.8083 6
2.6406 9
2.7919 9
2.8187 9
2.8395 8
2.9443 7
2.6596 8
2.8433 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 1 0 6.065 12.13 0.069 176.2 4 53.9 894.2
2 0 2 0 7.671 15.342 0.087 109.29 2 69.0 453.6
3 2 0 0 9.428 18.856 0.106 71.61 2 208.1 2707.3
4 0 0 1 10.061 20.121 0.113 62.62 2 153.7 1290.7
5 1 1 -1 11.713 23.425 0.132 45.65 4 95.1 720.1
6 1 1 1 11.847 23.694 0.133 44.57 4 87.0 589.5
7 2 2 0 12.199 24.398 0.137 41.92 4 56.9 237.0
8 1 3 0 12.494 24.987 0.14 39.87 4 118.3 974.5
9 0 2 1 12.7 25.401 0.143 38.51 4 103.4 719.0
10 2 0 -1 13.74 27.479 0.154 32.61 2 333.7 3170.3
11 2 0 1 13.971 27.942 0.157 31.48 2 338.3 3144.2
12 3 1 0 14.751 29.501 0.165 28.03 4 37.1 67.3
13 0 4 0 15.484 30.968 0.173 25.26 2 179.1 707.1
14 2 2 -1 15.81 31.62 0.177 24.15 4 106.3 476.7
15 2 2 1 16.014 32.028 0.179 23.5 4 99.0 401.9
16 1 3 -1 16.094 32.188 0.18 23.24 4 164.0 1092.1
17 1 3 1 16.195 32.389 0.181 22.93 4 154.5 955.1
18 3 1 -1 17.848 35.696 0.199 18.56 4 99.5 321.0
19 3 1 1 18.123 36.245 0.202 17.95 4 86.5 234.2
20 2 4 0 18.253 36.507 0.203 17.67 4 237.9 1745.3
21 3 3 0 18.479 36.959 0.206 17.2 4 127.4 487.0
22 0 4 1 18.605 37.211 0.207 16.94 4 250.5 1856.3
23 4 0 0 19.124 38.248 0.213 15.94 2 223.5 695.2
24 1 5 0 20.097 40.195 0.223 14.28 4 21.6 11.6
25 0 0 2 20.449 40.899 0.227 13.74 2 169.0 342.4
26 4 2 0 20.718 41.435 0.23 13.34 4 61.7 88.6
27 2 4 -1 20.936 41.873 0.232 13.03 4 274.9 1720.1
28 2 4 1 21.097 42.194 0.234 12.81 4 7.9 1.4
29 3 3 -1 21.098 42.196 0.234 12.81 4 153.8 528.8
30 1 1 -2 21.329 42.657 0.236 12.5 4 38.8 32.9
31 3 3 1 21.337 42.674 0.236 12.49 4 119.0 308.8
32 1 1 2 21.487 42.974 0.238 12.3 4 58.7 74.1
33 4 0 -1 21.638 43.276 0.239 12.11 2 24.3 6.2
34 4 0 1 21.95 43.9 0.243 11.72 2 276.2 780.6
35 0 2 2 21.963 43.927 0.243 11.71 4 59.7 72.8
36 2 0 -2 22.547 45.093 0.249 11.03 2 133.3 171.3
37 1 5 -1 22.635 45.271 0.25 10.94 4 7.8 1.2
38 1 5 1 22.711 45.422 0.251 10.86 4 25.7 12.5
39 2 0 2 22.849 45.698 0.252 10.71 2 222.4 462.2
40 4 2 -1 23.089 46.178 0.255 10.46 4 83.4 126.8
41 4 2 1 23.386 46.771 0.258 10.16 4 81.7 118.5
42 0 6 0 23.607 47.214 0.26 9.95 2 14.4 1.8
43 2 2 -2 23.954 47.908 0.264 9.62 4 53.6 48.3
44 1 3 -2 24.192 48.383 0.266 9.41 4 117.4 226.4
45 2 2 2 24.243 48.486 0.267 9.36 4 47.8 37.4
46 1 3 2 24.335 48.67 0.267 9.28 4 94.8 145.7
47 3 5 0 24.482 48.965 0.269 9.16 4 12.1 2.3
48 5 1 0 24.514 49.029 0.269 9.13 4 54.5 47.3
49 4 4 0 25.0 50.0 0.274 8.73 4 162.9 404.3
50 3 1 -2 25.407 50.814 0.278 8.42 4 17.2 4.4
51 2 6 0 25.637 51.274 0.281 8.24 4 35.6 18.3
52 3 1 2 25.821 51.642 0.283 8.11 4 29.8 12.6
53 0 6 1 25.906 51.813 0.284 8.05 4 67.3 63.6
54 0 4 2 26.085 52.17 0.285 7.93 4 154.2 328.8
55 5 1 -1 26.589 53.177 0.291 7.59 4 48.3 30.9
56 3 5 -1 26.626 53.251 0.291 7.56 4 7.7 0.8
57 3 5 1 26.827 53.653 0.293 7.43 4 2.8 0.1
58 5 1 1 26.923 53.846 0.294 7.37 4 51.4 34.0
59 4 4 -1 27.08 54.161 0.296 7.28 4 251.5 803.5
60 5 3 0 27.119 54.239 0.296 7.25 4 84.5 90.4
61 4 4 1 27.345 54.69 0.298 7.12 4 255.8 813.4
62 2 6 -1 27.749 55.497 0.302 6.88 4 33.3 13.3
63 2 4 -2 27.854 55.708 0.303 6.83 4 316.5 1193.9
64 2 6 1 27.879 55.758 0.304 6.81 4 44.7 23.7
65 3 3 -2 27.952 55.905 0.304 6.77 4 121.6 174.8
66 2 4 2 28.114 56.227 0.306 6.68 4 336.8 1323.8
67 1 7 0 28.315 56.631 0.308 6.58 4 181.5 378.1
68 3 3 2 28.34 56.681 0.308 6.56 4 116.2 154.7
69 4 0 -2 28.361 56.721 0.308 6.55 2 370.9 786.8
70 4 0 2 28.872 57.745 0.313 6.29 2 339.5 633.2
71 5 3 -1 29.062 58.125 0.315 6.2 4 155.0 259.9
72 1 5 -2 29.28 58.561 0.317 6.1 4 24.9 6.6
73 5 3 1 29.378 58.756 0.318 6.05 4 161.8 276.6
74 1 5 2 29.406 58.812 0.319 6.04 4 44.7 21.1
75 6 0 0 29.434 58.868 0.319 6.03 2 167.6 147.7
76 4 2 -2 29.565 59.131 0.32 5.97 4 48.8 24.8
77 4 2 2 30.064 60.128 0.325 5.75 4 55.2 30.6
78 1 7 -1 30.332 60.664 0.328 5.63 4 182.6 327.8
79 1 7 1 30.393 60.787 0.328 5.61 4 181.5 322.5
80 6 2 0 30.612 61.225 0.331 5.52 4 47.4 21.7
81 4 6 0 31.158 62.315 0.336 5.31 4 4.7 0.2
82 6 0 -1 31.254 62.509 0.337 5.27 2 230.9 245.2
83 0 0 3 31.606 63.211 0.34 5.14 2 142.0 90.5
84 6 0 1 31.617 63.234 0.34 5.14 2 208.2 194.5
85 3 7 0 31.862 63.724 0.343 5.05 4 128.0 144.5
86 5 5 0 31.889 63.777 0.343 5.04 4 55.4 27.0
87 0 6 2 32.103 64.206 0.345 4.97 4 1.4 0.0
88 1 1 -3 32.228 64.457 0.346 4.93 4 57.8 28.8
89 0 8 0 32.272 64.545 0.347 4.91 2 325.1 453.5
90 6 2 -1 32.394 64.788 0.348 4.88 4 80.9 55.7
91 1 1 3 32.407 64.814 0.348 4.87 4 48.5 20.0
92 5 1 -2 32.553 65.106 0.349 4.82 4 46.8 18.5
93 3 5 -2 32.645 65.29 0.35 4.79 4 15.0 1.9
94 0 2 3 32.738 65.477 0.351 4.77 4 67.8 38.2
95 6 2 1 32.75 65.499 0.351 4.76 4 82.2 56.2
96 4 6 -1 32.981 65.963 0.353 4.69 4 55.9 25.6
97 3 5 2 32.999 65.999 0.354 4.68 4 15.8 2.0
98 4 4 -2 33.018 66.036 0.354 4.68 4 161.7 213.6
99 2 0 -3 33.127 66.255 0.355 4.65 2 224.0 203.5
100 5 1 2 33.143 66.287 0.355 4.64 4 58.8 28.1
101 4 6 1 33.217 66.433 0.356 4.62 4 62.1 31.1
102 2 0 3 33.479 66.958 0.358 4.54 2 205.5 167.4
103 4 4 2 33.487 66.974 0.358 4.54 4 108.2 92.9
104 5 5 -1 33.662 67.324 0.36 4.49 4 26.1 5.4
105 2 6 -2 33.671 67.342 0.36 4.49 4 33.4 8.8
106 3 7 -1 33.694 67.388 0.36 4.48 4 174.6 238.4
107 3 7 1 33.869 67.738 0.362 4.43 4 201.2 313.4
108 2 6 2 33.904 67.808 0.362 4.42 4 23.0 4.1
109 2 8 0 33.952 67.905 0.363 4.41 4 94.3 68.5
110 5 5 1 33.953 67.906 0.363 4.41 4 26.7 5.5
111 6 4 0 34.004 68.009 0.363 4.4 4 349.3 936.9
112 0 8 1 34.18 68.36 0.365 4.35 4 61.8 29.0
113 2 2 -3 34.234 68.467 0.365 4.34 4 75.9 43.6
114 1 3 -3 34.452 68.905 0.367 4.28 4 128.2 122.8
115 2 2 3 34.58 69.16 0.368 4.25 4 84.6 53.1
116 1 3 3 34.625 69.25 0.369 4.24 4 148.4 162.9
117 5 3 -2 34.767 69.533 0.37 4.2 4 84.5 52.4
118 7 1 0 35.254 70.507 0.375 4.08 4 16.1 1.8
119 5 3 2 35.339 70.677 0.375 4.07 4 64.7 29.7
120 3 1 -3 35.381 70.762 0.376 4.06 4 60.4 25.8
121 6 4 -1 35.697 71.394 0.379 3.98 4 86.0 51.5
122 2 8 -1 35.76 71.519 0.379 3.97 4 186.8 241.8
123 2 8 1 35.873 71.746 0.38 3.95 4 182.5 229.5
124 3 1 3 35.892 71.784 0.381 3.94 4 87.7 53.0
125 0 4 3 36.026 72.052 0.382 3.91 4 263.0 472.5
126 6 4 1 36.037 72.073 0.382 3.91 4 124.1 105.1
127 1 7 -2 36.037 72.075 0.382 3.91 4 118.5 95.9
128 1 7 2 36.15 72.301 0.383 3.89 4 141.9 136.6
129 6 0 -2 36.746 73.492 0.388 3.77 2 154.2 78.2
130 7 1 -1 36.893 73.786 0.39 3.74 4 68.9 31.0
131 7 1 1 37.284 74.569 0.393 3.67 4 89.7 51.5
132 1 9 0 37.318 74.637 0.394 3.66 4 72.2 33.3
133 7 3 0 37.393 74.787 0.394 3.65 4 128.3 104.9
134 6 0 2 37.417 74.834 0.394 3.64 2 151.2 72.7
135 2 4 -3 37.461 74.923 0.395 3.64 4 19.8 2.5
136 3 3 -3 37.518 75.036 0.395 3.63 4 107.9 73.7
137 2 4 3 37.795 75.59 0.398 3.58 4 170.1 180.7
138 6 2 -2 37.805 75.611 0.398 3.58 4 37.1 8.6
139 4 0 -3 37.841 75.682 0.398 3.57 2 173.1 93.3
140 3 3 3 38.018 76.036 0.4 3.54 4 102.1 64.5
141 5 7 0 38.409 76.818 0.403 3.48 4 141.7 121.9
142 4 6 -2 38.411 76.822 0.403 3.48 4 10.8 0.7
143 6 2 2 38.47 76.94 0.404 3.47 4 37.4 8.5
144 4 0 3 38.505 77.011 0.404 3.46 2 47.8 6.9
145 1 5 -3 38.723 77.445 0.406 3.43 4 19.2 2.2
146 4 8 0 38.788 77.576 0.407 3.42 4 141.9 120.2
147 4 6 2 38.852 77.704 0.407 3.41 4 13.1 1.0
148 1 5 3 38.888 77.776 0.408 3.41 4 11.5 0.8
149 4 2 -3 38.89 77.78 0.408 3.41 4 71.3 30.2
150 7 3 -1 38.999 77.997 0.408 3.39 4 91.5 49.5
151 5 5 -2 39.023 78.047 0.409 3.39 4 14.1 1.2
152 1 9 -1 39.09 78.18 0.409 3.38 4 29.3 5.1
153 3 7 -2 39.109 78.217 0.409 3.37 4 124.8 91.8
154 1 9 1 39.145 78.29 0.41 3.37 4 33.4 6.6
155 6 6 0 39.34 78.681 0.411 3.34 4 23.0 3.1
156 7 3 1 39.383 78.766 0.412 3.34 4 94.7 52.2
157 3 7 2 39.438 78.876 0.412 3.33 4 133.5 103.5
158 4 2 3 39.549 79.098 0.413 3.31 4 68.4 27.1
159 5 5 2 39.572 79.144 0.414 3.31 4 23.7 3.2
160 0 8 2 39.65 79.299 0.414 3.3 4 113.8 74.6
161 5 7 -1 40.057 80.113 0.418 3.25 4 128.6 93.7
162 5 7 1 40.329 80.659 0.42 3.21 4 148.5 123.8
163 4 8 -1 40.458 80.917 0.421 3.2 4 0.6 0.0
164 3 9 0 40.466 80.932 0.421 3.2 4 54.1 16.4
165 4 8 1 40.676 81.352 0.423 3.17 4 137.4 104.7
166 6 4 -2 40.93 81.86 0.425 3.15 4 145.3 115.9
167 8 0 0 40.937 81.874 0.425 3.14 2 206.9 117.5
168 6 6 -1 40.951 81.901 0.425 3.14 4 39.2 8.4
169 2 8 -2 41.099 82.197 0.427 3.13 4 66.7 24.3
170 0 6 3 41.266 82.532 0.428 3.11 4 52.6 15.0
171 6 6 1 41.276 82.553 0.428 3.11 4 35.6 6.9
172 2 8 2 41.316 82.631 0.429 3.1 4 118.1 75.6
173 5 1 -3 41.541 83.081 0.43 3.08 4 55.0 16.3
174 7 5 0 41.558 83.115 0.431 3.08 4 2.2 0.0
175 6 4 2 41.581 83.162 0.431 3.08 4 138.5 103.1
176 3 5 -3 41.679 83.358 0.432 3.07 4 13.4 1.0
177 0 10 0 41.869 83.738 0.433 3.05 2 18.2 0.9
178 8 2 0 41.966 83.932 0.434 3.04 4 43.7 10.1
179 4 4 -3 41.993 83.987 0.434 3.04 4 176.1 164.5
180 7 1 -2 42.053 84.105 0.435 3.03 4 16.4 1.4
181 3 9 -1 42.148 84.296 0.436 3.02 4 12.4 0.8
182 3 5 3 42.166 84.332 0.436 3.02 4 12.1 0.8
183 3 9 1 42.31 84.62 0.437 3.01 4 38.3 7.7
184 5 1 3 42.352 84.704 0.437 3.01 4 40.4 8.6
185 8 0 -1 42.481 84.961 0.438 3.0 2 201.7 106.4
186 4 4 3 42.642 85.284 0.44 2.98 4 171.5 153.2
187 2 6 -3 42.65 85.3 0.44 2.98 4 38.5 7.7
188 7 1 2 42.809 85.618 0.441 2.97 4 2.6 0.0
189 8 0 1 42.912 85.825 0.442 2.96 2 42.7 4.7
190 2 6 3 42.974 85.948 0.442 2.96 4 34.1 6.0
191 7 5 -1 43.125 86.25 0.444 2.94 4 7.7 0.3
192 2 10 0 43.412 86.824 0.446 2.92 4 43.9 9.8
193 7 5 1 43.502 87.004 0.447 2.92 4 11.8 0.7
194 8 2 -1 43.504 87.008 0.447 2.92 4 63.9 20.8
195 5 3 -3 43.59 87.18 0.448 2.91 4 109.8 61.3
196 0 10 1 43.623 87.246 0.448 2.91 4 13.7 1.0
197 8 2 1 43.935 87.87 0.45 2.89 4 63.8 20.5
198 7 3 -2 44.1 88.199 0.452 2.88 4 88.8 39.7
199 0 0 4 44.328 88.655 0.454 2.86 2 295.3 218.1
200 1 9 -2 44.35 88.7 0.454 2.86 4 42.6 9.1
201 5 3 3 44.398 88.795 0.454 2.86 4 118.7 70.4
202 1 9 2 44.458 88.916 0.455 2.86 4 38.2 7.3
203 7 3 2 44.853 89.706 0.458 2.84 4 101.7 51.2
204 1 1 -4 44.86 89.719 0.458 2.84 4 24.9 3.1
205 1 7 -3 44.898 89.797 0.458 2.83 4 149.2 110.2
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 1 1 0 6.065 12.13 7.29058 894.2 28.2 28.5 5.6
2 0 2 0 7.671 15.342 5.7705 453.6 14.3 14.4 5.6
3 2 0 0 9.428 18.856 4.70237 2707.3 85.4 85.9 5.6
4 0 0 1 10.061 20.121 4.40941 1290.7 40.7 40.9 5.6
5 1 1 -1 11.713 23.425 3.79444 720.1 22.7 22.8 5.6
6 1 1 1 11.847 23.694 3.75194 589.5 18.6 18.6 5.6
7 2 2 0 12.199 24.398 3.64529 237.0 7.5 7.5 5.6
8 1 3 0 12.494 24.987 3.56063 974.5 30.7 30.8 5.6
9 0 2 1 12.7 25.401 3.50362 719.0 22.7 22.7 5.6
10 2 0 -1 13.74 27.479 3.24316 3170.3 100.0 100.0 5.6
11 2 0 1 13.971 27.942 3.1905 3144.2 99.2 99.1 5.6
12 3 1 0 14.751 29.501 3.02529 67.3 2.1 2.1 5.6
13 0 4 0 15.484 30.968 2.88525 707.1 22.3 22.2 5.6
14 2 2 -1 15.81 31.62 2.82724 476.7 15.0 15.0 5.6
15 2 2 1 16.014 32.028 2.79214 401.9 12.7 12.6 5.6
16 1 3 -1 16.094 32.188 2.77866 1092.1 34.4 34.3 5.6
17 1 3 1 16.195 32.389 2.76184 955.1 30.1 30.0 5.6
18 3 1 -1 17.848 35.696 2.51323 321.0 10.1 10.1 5.7
19 3 1 1 18.123 36.245 2.47637 234.2 7.4 7.3 5.7
20 2 4 0 18.253 36.507 2.45923 1745.3 55.1 54.6 5.7
21 3 3 0 18.479 36.959 2.43019 487.0 15.4 15.2 5.7
22 0 4 1 18.605 37.211 2.41432 1856.3 58.6 58.1 5.7
23 4 0 0 19.124 38.248 2.35118 695.2 21.9 21.7 5.7
24 0 0 2 20.449 40.899 2.2047 342.4 10.8 10.7 5.7
25 4 2 0 20.718 41.435 2.17738 88.6 2.8 2.8 5.7
26 2 4 -1 20.936 41.873 2.15566 1720.1 54.3 53.6 5.7
27 3 3 -1 21.098 42.196 2.13989 530.2 16.7 16.5 5.7
28 3 3 1 21.337 42.674 2.117 341.7 10.8 10.6 5.7
29 1 1 2 21.487 42.974 2.10292 74.1 2.3 2.3 5.7
30 4 0 1 21.95 43.9 2.06068 853.5 26.9 26.5 5.7
31 2 0 -2 22.547 45.093 2.0089 171.3 5.4 5.3 5.7
32 2 0 2 22.849 45.698 1.98372 462.2 14.6 14.3 5.7
33 4 2 -1 23.089 46.178 1.96421 126.8 4.0 3.9 5.7
34 4 2 1 23.386 46.771 1.94065 118.5 3.7 3.7 5.7
35 2 2 -2 23.954 47.908 1.89722 48.3 1.5 1.5 5.7
36 1 3 -2 24.192 48.383 1.8797 226.4 7.1 7.0 5.7
37 2 2 2 24.243 48.486 1.87597 37.4 1.2 1.2 5.7
38 1 3 2 24.335 48.67 1.86927 145.7 4.6 4.5 5.7
39 5 1 0 24.514 49.029 1.85645 47.3 1.5 1.5 5.7
40 4 4 0 25.0 50.0 1.82265 404.3 12.8 12.5 5.7
41 0 6 1 25.906 51.813 1.76305 63.6 2.0 2.0 5.8
42 0 4 2 26.085 52.17 1.75181 328.8 10.4 10.1 5.8
43 5 1 1 26.923 53.846 1.70117 34.0 1.1 1.0 5.8
44 4 4 -1 27.08 54.161 1.69203 803.5 25.3 24.7 5.8
45 5 3 0 27.119 54.239 1.68978 90.4 2.9 2.8 5.8
46 4 4 1 27.345 54.69 1.6769 813.4 25.7 24.9 5.8
47 2 4 -2 27.854 55.708 1.64864 1217.7 38.4 37.3 5.8
48 3 3 -2 27.952 55.905 1.64331 174.8 5.5 5.4 5.8
49 2 4 2 28.114 56.227 1.63464 1323.8 41.8 40.5 5.8
50 1 7 0 28.315 56.631 1.62395 532.8 16.8 16.3 5.8
51 4 0 -2 28.361 56.721 1.62158 786.8 24.8 24.1 5.8
52 4 0 2 28.872 57.745 1.59525 633.2 20.0 19.3 5.8
53 5 3 -1 29.062 58.125 1.58571 259.9 8.2 7.9 5.8
54 5 3 1 29.378 58.756 1.57017 297.7 9.4 9.1 5.8
55 6 0 0 29.434 58.868 1.56746 147.7 4.7 4.5 5.8
56 1 7 -1 30.332 60.664 1.52529 327.8 10.3 10.0 5.8
57 1 7 1 30.393 60.787 1.52249 322.5 10.2 9.8 5.8
58 6 0 -1 31.254 62.509 1.48462 245.2 7.7 7.4 5.8
59 6 0 1 31.617 63.234 1.46933 285.0 9.0 8.6 5.9
60 3 7 0 31.862 63.724 1.45922 171.5 5.4 5.2 5.9
61 0 8 0 32.272 64.545 1.44263 453.5 14.3 13.7 5.9
62 6 2 -1 32.394 64.788 1.4378 75.6 2.4 2.3 5.9
63 6 2 1 32.75 65.499 1.42389 94.4 3.0 2.8 5.9
64 4 4 -2 33.018 66.036 1.41362 213.6 6.7 6.4 5.9
65 2 0 -3 33.127 66.255 1.40947 231.5 7.3 7.0 5.9
66 2 0 3 33.479 66.958 1.39636 260.3 8.2 7.8 5.9
67 3 7 -1 33.694 67.388 1.38849 252.6 8.0 7.6 5.9
68 3 7 1 33.869 67.738 1.38218 313.4 9.9 9.4 5.9
69 2 8 0 33.952 67.905 1.37918 74.0 2.3 2.2 5.9
70 6 4 0 34.004 68.009 1.37733 936.9 29.6 28.2 5.9
71 2 2 -3 34.234 68.467 1.36922 43.6 1.4 1.3 5.9
72 1 3 -3 34.452 68.905 1.36159 122.8 3.9 3.7 5.9
73 2 2 3 34.58 69.16 1.35719 53.1 1.7 1.6 5.9
74 1 3 3 34.625 69.25 1.35564 162.9 5.1 4.9 5.9
75 5 3 -2 34.767 69.533 1.35081 52.4 1.7 1.6 5.9
76 6 4 -1 35.697 71.394 1.32011 51.5 1.6 1.5 5.9
77 2 8 -1 35.76 71.519 1.3181 241.8 7.6 7.2 5.9
78 2 8 1 35.873 71.746 1.31449 282.5 8.9 8.4 5.9
79 0 4 3 36.026 72.052 1.30966 673.5 21.2 20.1 5.9
80 1 7 2 36.15 72.301 1.30577 136.6 4.3 4.1 5.9
81 6 0 -2 36.746 73.492 1.28751 78.2 2.5 2.3 6.0
82 7 1 1 37.284 74.569 1.27157 51.5 1.6 1.5 6.0
83 1 9 0 37.318 74.637 1.27058 33.3 1.1 1.0 6.0
84 7 3 0 37.393 74.787 1.2684 177.6 5.6 5.3 6.0
85 3 3 -3 37.518 75.036 1.26481 73.7 2.3 2.2 6.0
86 2 4 3 37.795 75.59 1.2569 189.2 6.0 5.6 6.0
87 4 0 -3 37.841 75.682 1.25561 93.3 2.9 2.8 6.0
88 3 3 3 38.018 76.036 1.25065 64.5 2.0 1.9 6.0
89 5 7 0 38.409 76.818 1.23984 122.6 3.9 3.6 6.0
90 4 8 0 38.788 77.576 1.22962 120.2 3.8 3.5 6.0
91 7 3 -1 38.999 77.997 1.22402 50.7 1.6 1.5 6.0
92 3 7 -2 39.109 78.217 1.22113 96.9 3.1 2.9 6.0
93 7 3 1 39.383 78.766 1.21399 52.2 1.6 1.5 6.0
94 3 7 2 39.438 78.876 1.21258 103.5 3.3 3.0 6.0
95 0 8 2 39.65 79.299 1.20716 74.6 2.4 2.2 6.0
96 5 7 -1 40.057 80.113 1.19693 93.7 3.0 2.7 6.0
97 5 7 1 40.329 80.659 1.19021 123.8 3.9 3.6 6.1
98 4 8 1 40.676 81.352 1.1818 104.7 3.3 3.1 6.1
99 8 0 0 40.937 81.874 1.17559 241.9 7.6 7.1 6.1
100 2 8 2 41.316 82.631 1.16673 75.6 2.4 2.2 6.1
101 6 4 2 41.581 83.162 1.16062 103.1 3.3 3.0 6.1
102 4 4 -3 41.993 83.987 1.15131 174.6 5.5 5.1 6.1
103 8 0 -1 42.481 84.961 1.14058 106.4 3.4 3.1 6.1
104 4 4 3 42.642 85.284 1.13709 160.9 5.1 4.7 6.1
105 5 3 -3 43.59 87.18 1.11716 61.3 1.9 1.8 6.2
106 7 3 -2 44.1 88.199 1.10687 39.7 1.3 1.1 6.2
107 0 0 4 44.328 88.655 1.10235 227.2 7.2 6.5 6.2
108 5 3 3 44.398 88.795 1.10098 70.4 2.2 2.0 6.2
109 7 3 2 44.853 89.706 1.09215 54.3 1.7 1.6 6.2
110 1 7 -3 44.898 89.797 1.09128 110.2 3.5 3.2 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)
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