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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ELLENBERGERITE
2, at 20'C
[Mg(Ti,Zr)](2)Mg(6)(Al,Mg)(6)Si(8)O(28)(OH)(10)
Hexagonal P 6(3) Z = 1
R =0.033 NR =355
28 .11 .1997
Ref.Str.:
Comodi P., Zannazi P.F. (1997)
* Eur. J. Mineral., 5, 819-829
Reserv:
There are U(ij) in the article. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.2573 alpha = 90.0
b = 12.2573 beta = 90.0
c = 4.9216 gamma = 120.0
Unit cell volume (cub. angs.) = 640.36
Molar volume ( cub.cm/mol.) = 385.71
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4274 0.3387 0.0 0.01 Mg = 1.00
2 0.3502 0.4207 0.4956 0.01 Al = 1.00
3 0.0 0.0 0.1994 0.02 Mg = 0.5 , Ti = 0.5
4 0.6667 0.3333 0.7812 0.01 Si = 1.00
5 0.3067 0.1482 0.4793 0.01 Si = 1.00
6 0.2798 0.3431 0.1713 0.01 O = 1.00
7 0.3851 0.1767 0.194 0.01 O = 1.00
8 0.3548 0.2826 0.6313 0.01 O = 1.00
9 0.1538 0.0734 0.433 0.01 O = 1.00
10 0.4738 0.5226 0.8163 0.01 O = 1.00
11 0.39 0.5814 0.3878 0.01 O = 1.00
12 0.3333 0.6667 0.9465 0.02 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4274 0.3387 0.0
2 2 0.3502 0.4207 0.4956
3 3 0.0 0.0 0.1994
4 4 0.6667 0.3333 0.7812
5 5 0.3067 0.1482 0.4793
6 6 0.2798 0.3431 0.1713
7 7 0.3851 0.1767 0.194
8 8 0.3548 0.2826 0.6313
9 9 0.1538 0.0734 0.433
10 10 0.4738 0.5226 0.8163
11 11 0.39 0.5814 0.3878
12 12 0.3333 0.6667 0.9465
13 1 0.6613 0.0887 0.0
14 1 0.9113 0.5726 0.0
15 2 0.5793 0.9295 0.4956
16 2 0.0705 0.6498 0.4956
17 5 0.8518 0.1585 0.4793
18 5 0.8415 0.6933 0.4793
19 6 0.6569 0.9367 0.1713
20 6 0.0633 0.7202 0.1713
21 7 0.8233 0.2084 0.194
22 7 0.7916 0.6149 0.194
23 8 0.7174 0.0722 0.6313
24 8 0.9278 0.6452 0.6313
25 9 0.9266 0.0804 0.433
26 9 0.9196 0.8462 0.433
27 10 0.4774 0.9512 0.8163
28 10 0.0488 0.5262 0.8163
29 11 0.4186 0.8086 0.3878
30 11 0.1914 0.61 0.3878
31 1 0.5726 0.6613 0.5
32 2 0.6498 0.5793 0.9956
33 3 0.0 0.0 0.6994
34 4 0.3333 0.6667 0.2812
35 5 0.6933 0.8518 0.9793
36 6 0.7202 0.6569 0.6713
37 7 0.6149 0.8233 0.694
38 8 0.6452 0.7174 0.1313
39 9 0.8462 0.9266 0.933
40 10 0.5262 0.4774 0.3163
41 11 0.61 0.4186 0.8878
42 12 0.6667 0.3333 0.4465
43 1 0.3387 0.9113 0.5
44 1 0.0887 0.4274 0.5
45 2 0.4207 0.0705 0.9956
46 2 0.9295 0.3502 0.9956
47 5 0.1482 0.8415 0.9793
48 5 0.1585 0.3067 0.9793
49 6 0.3431 0.0633 0.6713
50 6 0.9367 0.2798 0.6713
51 7 0.1767 0.7916 0.694
52 7 0.2084 0.3851 0.694
53 8 0.2826 0.9278 0.1313
54 8 0.0722 0.3548 0.1313
55 9 0.0734 0.9196 0.933
56 9 0.0804 0.1538 0.933
57 10 0.5226 0.0488 0.3163
58 10 0.9512 0.4738 0.3163
59 11 0.5814 0.1914 0.8878
60 11 0.8086 0.39 0.8878
X-ray density (g/cm cub.) = 3.14
MU (1/cm) = 116.667 Mass attenuation coefficient (cm**2/g) = 37.116
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.021 6
2.0233 7
1.9863 8
2.2226 10
2.1729 10
2.0203 11
2 Al 2.316 6
1.8374 6
1.8466 8
2.1105 10
1.8543 11
2.1015 10
1.8457 7
3 Mg ,Ti 2.568 6
1.9973 9
1.9972 9
1.9973 9
2.0943 9
2.0943 9
2.0943 9
4 Si 2.1 4
1.6056 11
1.6473 12
1.6046 11
1.6045 11
5 Si 2.1 4
1.6375 7
1.6278 8
1.6391 9
1.6245 6
6 O 3.264 11
2.9105 7
2.6837 8
3.0232 8
3.1412 9
2.8838 10
2.747 11
2.7146 10
2.846 7
2.6457 7
2.6268 8
2.6575 9
7 O 3.264 12
2.9105 6
2.6338 8
3.1582 8
2.7267 9
3.2502 10
3.2385 11
3.243 12
2.6456 6
2.8459 6
2.6735 8
2.8813 10
2.7675 11
8 O 3.264 10
3.0232 6
2.6837 6
3.1582 7
2.6338 7
2.6982 9
2.7055 10
2.739 10
2.9905 11
2.6265 6
2.6737 7
9 O 3.264 10
3.1412 6
2.7267 7
2.6982 8
2.8287 9
2.8287 9
2.6574 6
2.9534 9
2.9534 9
2.9535 9
2.9535 9
10 O 3.264 12
2.8838 6
2.7055 8
3.1978 11
2.6004 11
3.0884 12
2.7146 6
3.2502 7
2.739 8
2.6704 10
2.6704 10
2.5815 11
2.8815 7
11 O 3.264 11
2.747 6
2.6004 10
3.1978 10
3.1406 12
2.6495 12
2.6271 11
2.6271 11
3.2385 7
2.9905 8
2.5815 10
2.7676 7
12 O 3.264 12
3.0884 10
2.6495 11
3.1406 11
3.0872 10
3.0872 10
2.6489 11
3.1401 11
2.6488 11
3.14 11
3.243 7
3.2422 7
3.2431 7
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 4.161 8.323 0.047 376.84 6 9.5 49.4
2 1 1 0 7.22 14.441 0.082 123.65 6 19.8 70.9
3 2 0 0 8.345 16.689 0.094 92.01 6 21.6 63.0
4 1 0 1 9.934 19.868 0.112 64.28 12 34.0 218.1
5 1 2 0 11.069 22.138 0.125 51.36 6 21.3 34.0
6 2 1 0 11.069 22.138 0.125 51.36 6 36.8 101.7
7 1 1 1 11.58 23.159 0.13 46.75 12 10.8 15.9
8 2 0 1 12.324 24.648 0.139 41.03 12 62.1 463.6
9 3 0 0 12.574 25.147 0.141 39.34 6 78.3 353.1
10 1 2 1 14.341 28.683 0.161 29.77 12 81.5 579.4
11 2 1 1 14.341 28.683 0.161 29.77 12 65.8 377.3
12 2 2 0 14.559 29.117 0.163 28.83 6 102.0 438.8
13 1 3 0 15.167 30.334 0.17 26.41 6 5.8 1.3
14 3 1 0 15.167 30.334 0.17 26.41 6 18.3 13.0
15 3 0 1 15.552 31.104 0.174 25.03 12 31.8 73.9
16 4 0 0 16.873 33.747 0.188 20.98 6 94.3 273.0
17 2 2 1 17.224 34.448 0.192 20.06 12 9.2 4.9
18 1 3 1 17.751 35.501 0.198 18.78 12 31.3 53.7
19 3 1 1 17.751 35.501 0.198 18.78 12 38.7 82.3
20 0 0 2 18.241 36.483 0.203 17.69 2 96.6 80.5
21 2 3 0 18.439 36.879 0.205 17.28 6 5.0 0.6
22 3 2 0 18.439 36.879 0.205 17.28 6 22.4 12.7
23 1 0 2 18.743 37.486 0.209 16.67 12 23.9 27.8
24 4 0 1 19.254 38.509 0.214 15.71 12 72.1 239.1
25 1 4 0 19.423 38.845 0.216 15.41 6 17.9 7.2
26 4 1 0 19.423 38.845 0.216 15.41 6 35.7 28.7
27 1 1 2 19.713 39.426 0.219 14.91 12 65.5 187.4
28 2 0 2 20.183 40.367 0.224 14.15 12 24.6 25.0
29 2 3 1 20.665 41.33 0.229 13.42 12 82.3 266.0
30 3 2 1 20.665 41.33 0.229 13.42 12 60.6 144.3
31 5 0 0 21.274 42.547 0.236 12.58 6 14.2 3.7
32 1 2 2 21.543 43.087 0.238 12.23 12 54.6 106.7
33 2 1 2 21.543 43.087 0.238 12.23 12 48.1 82.7
34 1 4 1 21.563 43.126 0.239 12.2 12 30.4 32.9
35 4 1 1 21.563 43.126 0.239 12.2 12 5.8 1.2
36 3 3 0 22.151 44.303 0.245 11.48 6 21.1 7.5
37 3 0 2 22.413 44.826 0.247 11.18 12 50.4 83.1
38 2 4 0 22.58 45.16 0.249 11.0 6 38.9 24.4
39 4 2 0 22.58 45.16 0.249 11.0 6 16.6 4.4
40 5 0 1 23.275 46.549 0.256 10.27 12 55.0 90.9
41 2 2 2 23.669 47.339 0.261 9.89 12 44.9 58.4
42 1 5 0 23.83 47.66 0.262 9.74 6 25.5 9.3
43 5 1 0 23.83 47.66 0.262 9.74 6 10.4 1.5
44 1 3 2 24.077 48.154 0.265 9.51 12 21.3 12.6
45 3 1 2 24.077 48.154 0.265 9.51 12 34.0 32.2
46 3 3 1 24.095 48.19 0.265 9.49 12 10.3 2.9
47 2 4 1 24.497 48.994 0.269 9.14 12 35.3 33.3
48 4 2 1 24.497 48.994 0.269 9.14 12 44.3 52.5
49 4 0 2 25.27 50.54 0.277 8.52 12 103.6 267.5
50 1 5 1 25.676 51.351 0.281 8.22 12 71.8 124.0
51 5 1 1 25.676 51.351 0.281 8.22 12 63.9 98.2
52 6 0 0 25.81 51.62 0.283 8.12 6 43.9 22.9
53 3 4 0 26.193 52.385 0.287 7.85 6 21.3 5.2
54 4 3 0 26.193 52.385 0.287 7.85 6 23.8 6.5
55 2 3 2 26.424 52.847 0.289 7.7 12 51.4 59.4
56 3 2 2 26.424 52.847 0.289 7.7 12 49.2 54.6
57 2 5 0 26.947 53.894 0.294 7.36 6 5.5 0.3
58 5 2 0 26.947 53.894 0.294 7.36 6 0.9 0.0
59 1 4 2 27.173 54.346 0.296 7.22 12 27.4 15.9
60 4 1 2 27.173 54.346 0.296 7.22 12 11.1 2.6
61 6 0 1 27.559 55.118 0.3 6.99 12 43.0 37.8
62 3 4 1 27.925 55.85 0.304 6.79 12 37.8 28.4
63 4 3 1 27.925 55.85 0.304 6.79 12 35.9 25.6
64 1 0 3 28.366 56.732 0.308 6.55 12 1.3 0.0
65 1 6 0 28.414 56.828 0.309 6.52 6 52.1 26.0
66 6 1 0 28.414 56.828 0.309 6.52 6 52.5 26.3
67 5 0 2 28.632 57.265 0.311 6.41 12 36.8 25.4
68 2 5 1 28.648 57.296 0.311 6.4 12 53.1 52.9
69 5 2 1 28.648 57.296 0.311 6.4 12 59.7 66.7
70 1 1 3 29.082 58.164 0.316 6.19 12 8.6 1.3
71 3 3 2 29.344 58.688 0.318 6.07 12 72.3 92.8
72 2 0 3 29.436 58.872 0.319 6.02 12 4.0 0.3
73 2 4 2 29.696 59.392 0.322 5.91 12 36.1 22.6
74 4 2 2 29.696 59.392 0.322 5.91 12 46.3 37.1
75 1 6 1 30.061 60.121 0.325 5.75 12 56.2 53.2
76 6 1 1 30.061 60.121 0.325 5.75 12 23.2 9.1
77 4 4 0 30.181 60.363 0.326 5.7 6 184.6 284.0
78 1 2 3 30.482 60.964 0.329 5.57 12 79.0 101.8
79 2 1 3 30.482 60.964 0.329 5.57 12 72.4 85.5
80 3 5 0 30.527 61.055 0.33 5.55 6 21.7 3.8
81 5 3 0 30.527 61.055 0.33 5.55 6 13.4 1.5
82 7 0 0 30.527 61.055 0.33 5.55 6 15.2 1.9
83 1 5 2 30.737 61.473 0.332 5.47 12 51.7 42.8
84 5 1 2 30.737 61.473 0.332 5.47 12 34.8 19.4
85 3 0 3 31.167 62.335 0.336 5.3 12 12.6 2.4
86 2 6 0 31.552 63.104 0.34 5.16 6 34.9 9.2
87 6 2 0 31.552 63.104 0.34 5.16 6 11.0 0.9
88 4 4 1 31.772 63.544 0.342 5.08 12 8.5 1.1
89 3 5 1 32.108 64.216 0.345 4.97 12 35.7 18.5
90 5 3 1 32.108 64.216 0.345 4.97 12 39.4 22.5
91 7 0 1 32.108 64.216 0.345 4.97 12 27.0 10.6
92 2 2 3 32.18 64.36 0.346 4.95 12 19.1 5.3
93 6 0 2 32.427 64.855 0.348 4.86 12 31.3 14.0
94 1 3 3 32.514 65.028 0.349 4.84 12 12.4 2.2
95 3 1 3 32.514 65.028 0.349 4.84 12 37.1 19.5
96 3 4 2 32.76 65.519 0.351 4.76 12 43.6 26.4
97 4 3 2 32.76 65.519 0.351 4.76 12 27.3 10.4
98 2 6 1 33.105 66.21 0.355 4.65 12 28.8 11.3
99 6 2 1 33.105 66.21 0.355 4.65 12 28.1 10.8
100 1 7 0 33.22 66.439 0.356 4.62 6 43.3 12.7
101 7 1 0 33.22 66.439 0.356 4.62 6 100.6 68.4
102 2 5 2 33.419 66.839 0.358 4.56 12 52.6 36.9
103 5 2 2 33.419 66.839 0.358 4.56 12 66.7 59.4
104 4 0 3 33.505 67.009 0.358 4.54 12 122.3 198.4
105 2 3 3 34.481 68.962 0.367 4.27 12 59.6 44.5
106 3 2 3 34.481 68.962 0.367 4.27 12 45.7 26.1
107 4 5 0 34.524 69.047 0.368 4.26 6 18.9 2.2
108 5 4 0 34.524 69.047 0.368 4.26 6 41.5 10.7
109 1 6 2 34.72 69.439 0.37 4.21 12 39.7 19.4
110 6 1 2 34.72 69.439 0.37 4.21 12 23.7 7.0
111 1 7 1 34.734 69.468 0.37 4.21 12 12.9 2.0
112 7 1 1 34.734 69.468 0.37 4.21 12 31.4 12.2
113 1 4 3 35.125 70.249 0.373 4.12 12 10.2 1.3
114 4 1 3 35.125 70.249 0.373 4.12 12 27.5 9.1
115 3 6 0 35.167 70.334 0.374 4.11 6 1.5 0.0
116 6 3 0 35.167 70.334 0.374 4.11 6 14.1 1.2
117 8 0 0 35.487 70.973 0.377 4.03 6 66.8 26.3
118 4 5 1 36.012 72.025 0.382 3.92 12 27.2 8.5
119 5 4 1 36.012 72.025 0.382 3.92 12 18.6 4.0
120 4 4 2 36.315 72.63 0.384 3.85 12 106.2 127.2
121 5 0 3 36.397 72.794 0.385 3.84 12 48.6 26.5
122 2 7 0 36.439 72.878 0.386 3.83 6 0.5 0.0
123 7 2 0 36.439 72.878 0.386 3.83 6 14.5 1.2
124 3 5 2 36.631 73.261 0.387 3.79 12 30.6 10.4
125 5 3 2 36.631 73.261 0.387 3.79 12 16.7 3.1
126 7 0 2 36.631 73.261 0.387 3.79 12 16.3 2.9
127 3 6 1 36.644 73.289 0.387 3.79 12 44.3 21.8
128 6 3 1 36.644 73.289 0.387 3.79 12 48.9 26.5
129 8 0 1 36.959 73.918 0.39 3.73 12 77.9 66.2
130 3 3 3 37.027 74.053 0.391 3.71 12 2.8 0.1
131 2 4 3 37.34 74.68 0.394 3.66 12 11.5 1.4
132 4 2 3 37.34 74.68 0.394 3.66 12 4.8 0.2
133 2 6 2 37.571 75.142 0.396 3.62 12 12.3 1.6
134 6 2 2 37.571 75.142 0.396 3.62 12 27.0 7.7
135 2 7 1 37.897 75.793 0.399 3.56 12 77.2 62.1
136 7 2 1 37.897 75.793 0.399 3.56 12 59.7 37.1
137 1 5 3 38.274 76.549 0.402 3.5 12 56.4 32.6
138 5 1 3 38.274 76.549 0.402 3.5 12 58.9 35.5
139 1 8 0 38.315 76.631 0.402 3.49 6 2.5 0.0
140 8 1 0 38.315 76.631 0.402 3.49 6 8.7 0.4
141 0 0 4 38.759 77.517 0.406 3.42 2 122.3 25.0
142 5 5 0 38.934 77.868 0.408 3.4 6 100.9 50.6
143 1 0 4 39.067 78.134 0.409 3.38 12 41.9 17.4
144 1 7 2 39.122 78.243 0.41 3.37 12 22.2 4.9
145 7 1 2 39.122 78.243 0.41 3.37 12 12.5 1.5
146 4 6 0 39.242 78.485 0.411 3.36 6 26.8 3.5
147 6 4 0 39.242 78.485 0.411 3.36 6 36.2 6.4
148 1 1 4 39.682 79.365 0.414 3.3 12 19.7 3.7
149 1 8 1 39.75 79.5 0.415 3.29 12 30.8 9.1
150 8 1 1 39.75 79.5 0.415 3.29 12 47.4 21.6
151 6 0 3 39.816 79.633 0.416 3.28 12 1.4 0.0
152 2 0 4 39.989 79.978 0.417 3.26 12 13.7 1.8
153 3 4 3 40.123 80.245 0.418 3.24 12 25.4 6.1
154 4 3 3 40.123 80.245 0.418 3.24 12 26.9 6.9
155 3 7 0 40.163 80.326 0.419 3.23 6 16.1 1.2
156 7 3 0 40.163 80.326 0.419 3.23 6 7.9 0.3
157 4 5 2 40.349 80.698 0.42 3.21 12 15.3 2.2
158 5 4 2 40.349 80.698 0.42 3.21 12 26.7 6.7
159 5 5 1 40.363 80.725 0.42 3.21 12 1.8 0.0
160 4 6 1 40.668 81.336 0.423 3.17 12 18.0 3.0
161 6 4 1 40.668 81.336 0.423 3.17 12 28.1 7.4
162 2 5 3 40.734 81.468 0.424 3.17 12 11.9 1.3
163 5 2 3 40.734 81.468 0.424 3.17 12 16.4 2.5
164 9 0 0 40.774 81.548 0.424 3.16 6 0.6 0.0
165 1 2 4 40.906 81.812 0.425 3.15 12 20.4 3.8
166 2 1 4 40.906 81.812 0.425 3.15 12 43.5 17.5
167 3 6 2 40.959 81.919 0.426 3.14 12 48.1 21.3
168 6 3 2 40.959 81.919 0.426 3.14 12 46.5 19.9
169 8 0 2 41.264 82.528 0.428 3.11 12 55.6 28.1
170 3 0 4 41.515 83.029 0.43 3.08 12 19.2 3.3
171 3 7 1 41.581 83.163 0.431 3.08 12 22.3 4.5
172 7 3 1 41.581 83.163 0.431 3.08 12 23.6 5.0
173 2 8 0 41.687 83.374 0.432 3.07 6 40.8 7.5
174 8 2 0 41.687 83.374 0.432 3.07 6 35.9 5.8
175 1 6 3 41.951 83.901 0.434 3.04 12 20.9 3.9
176 6 1 3 41.951 83.901 0.434 3.04 12 13.9 1.7
177 2 7 2 42.175 84.35 0.436 3.02 12 64.3 36.6
178 7 2 2 42.175 84.35 0.436 3.02 12 48.5 20.8
179 9 0 1 42.188 84.377 0.436 3.02 12 25.4 5.7
180 2 2 4 42.425 84.849 0.438 3.0 12 39.6 13.8
181 1 3 4 42.728 85.455 0.44 2.98 12 30.7 8.2
182 3 1 4 42.728 85.455 0.44 2.98 12 30.9 8.3
183 2 8 1 43.097 86.193 0.443 2.95 12 5.8 0.3
184 8 2 1 43.097 86.193 0.443 2.95 12 28.8 7.1
185 4 4 3 43.464 86.928 0.447 2.92 12 12.4 1.3
186 4 0 4 43.634 87.269 0.448 2.91 12 48.2 19.8
187 3 5 3 43.766 87.532 0.449 2.9 12 10.8 1.0
188 5 3 3 43.766 87.532 0.449 2.9 12 14.7 1.8
189 7 0 3 43.766 87.532 0.449 2.9 12 2.8 0.1
190 1 9 0 43.806 87.612 0.449 2.9 6 18.6 1.5
191 5 6 0 43.806 87.612 0.449 2.9 6 20.8 1.8
192 6 5 0 43.806 87.612 0.449 2.9 6 20.8 1.8
193 9 1 0 43.806 87.612 0.449 2.9 6 23.9 2.4
194 1 8 2 43.99 87.979 0.451 2.89 12 33.4 9.4
195 8 1 2 43.99 87.979 0.451 2.89 12 43.8 16.2
196 4 7 0 44.41 88.82 0.454 2.86 6 5.1 0.1
197 7 4 0 44.41 88.82 0.454 2.86 6 26.3 2.9
198 2 3 4 44.54 89.08 0.455 2.85 12 54.4 24.7
199 3 2 4 44.54 89.08 0.455 2.85 12 38.4 12.3
200 5 5 2 44.593 89.186 0.456 2.85 12 50.9 21.6
201 2 6 3 44.672 89.343 0.456 2.85 12 10.9 1.0
202 6 2 3 44.672 89.343 0.456 2.85 12 17.2 2.5
203 4 6 2 44.895 89.79 0.458 2.83 12 33.3 9.2
204 6 4 2 44.895 89.79 0.458 2.83 12 23.4 4.5
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 1 0 0 4.161 8.323 10.61513 49.4 5.2 5.2 5.6
2 1 1 0 7.22 14.441 6.12865 70.9 7.4 7.5 5.6
3 2 0 0 8.345 16.689 5.30757 63.0 6.6 6.6 5.6
4 1 0 1 9.934 19.868 4.46504 218.1 22.8 22.9 5.6
5 2 1 0 11.069 22.138 4.01214 135.7 14.2 14.3 5.6
6 1 1 1 11.58 23.159 3.83741 15.9 1.7 1.7 5.6
7 2 0 1 12.324 24.648 3.60884 463.6 48.5 48.6 5.6
8 3 0 0 12.574 25.147 3.53838 353.1 36.9 37.0 5.6
9 1 2 1 14.341 28.683 3.10975 956.7 100.0 100.0 5.6
10 2 2 0 14.559 29.117 3.06433 438.8 45.9 45.9 5.6
11 3 1 0 15.167 30.334 2.94411 14.3 1.5 1.5 5.6
12 3 0 1 15.552 31.104 2.87295 73.9 7.7 7.7 5.6
13 4 0 0 16.873 33.747 2.65378 273.0 28.5 28.4 5.7
14 3 1 1 17.751 35.501 2.52655 136.1 14.2 14.1 5.7
15 0 0 2 18.241 36.483 2.4608 80.5 8.4 8.4 5.7
16 3 2 0 18.439 36.879 2.43528 12.7 1.3 1.3 5.7
17 1 0 2 18.743 37.486 2.39723 27.8 2.9 2.9 5.7
18 4 0 1 19.254 38.509 2.33585 239.1 25.0 24.8 5.7
19 4 1 0 19.423 38.845 2.31641 36.0 3.8 3.7 5.7
20 1 1 2 19.713 39.426 2.28359 187.4 19.6 19.4 5.7
21 2 0 2 20.183 40.367 2.23252 25.0 2.6 2.6 5.7
22 2 3 1 20.665 41.33 2.18269 410.3 42.9 42.4 5.7
23 1 2 2 21.543 43.087 2.09767 223.5 23.4 23.0 5.7
24 3 0 2 22.413 44.826 2.02027 83.1 8.7 8.6 5.7
25 2 4 0 22.58 45.16 2.00607 28.8 3.0 3.0 5.7
26 5 0 1 23.275 46.549 1.94939 90.9 9.5 9.3 5.7
27 2 2 2 23.669 47.339 1.91871 58.4 6.1 6.0 5.7
28 1 5 0 23.83 47.66 1.90653 10.8 1.1 1.1 5.7
29 3 1 2 24.077 48.154 1.88811 47.8 5.0 4.9 5.7
30 4 2 1 24.497 48.994 1.85768 85.8 9.0 8.8 5.7
31 4 0 2 25.27 50.54 1.80442 267.5 28.0 27.4 5.8
32 1 5 1 25.676 51.351 1.7778 222.2 23.2 22.7 5.8
33 6 0 0 25.81 51.62 1.76919 22.9 2.4 2.3 5.8
34 4 3 0 26.193 52.385 1.74512 11.8 1.2 1.2 5.8
35 2 3 2 26.424 52.847 1.73095 113.9 11.9 11.6 5.8
36 1 4 2 27.173 54.346 1.68669 18.5 1.9 1.9 5.8
37 6 0 1 27.559 55.118 1.66489 37.8 3.9 3.8 5.8
38 3 4 1 27.925 55.85 1.64478 54.0 5.6 5.5 5.8
39 6 1 0 28.414 56.828 1.61879 52.3 5.5 5.3 5.8
40 5 2 1 28.648 57.296 1.60666 145.0 15.2 14.7 5.8
41 3 3 2 29.344 58.688 1.57183 92.8 9.7 9.4 5.8
42 4 2 2 29.696 59.392 1.55488 59.6 6.2 6.0 5.8
43 1 6 1 30.061 60.121 1.53775 62.2 6.5 6.3 5.8
44 4 4 0 30.181 60.363 1.53216 284.0 29.7 28.7 5.8
45 1 2 3 30.482 60.964 1.5185 187.4 19.6 18.9 5.8
46 1 5 2 30.737 61.473 1.50713 62.2 6.5 6.3 5.8
47 2 6 0 31.552 63.104 1.47205 10.1 1.1 1.0 5.9
48 5 3 1 32.108 64.216 1.44921 51.6 5.4 5.2 5.9
49 6 0 2 32.427 64.855 1.43647 14.0 1.5 1.4 5.9
50 3 1 3 32.514 65.028 1.43307 21.6 2.3 2.2 5.9
51 3 4 2 32.76 65.519 1.4235 36.8 3.8 3.7 5.9
52 2 6 1 33.105 66.21 1.41032 22.0 2.3 2.2 5.9
53 7 1 0 33.22 66.439 1.40601 81.1 8.5 8.1 5.9
54 5 2 2 33.419 66.839 1.39857 96.4 10.1 9.6 5.9
55 4 0 3 33.505 67.009 1.39543 198.4 20.7 19.8 5.9
56 2 3 3 34.481 68.962 1.3606 70.5 7.4 7.0 5.9
57 5 4 0 34.524 69.047 1.35913 13.0 1.4 1.3 5.9
58 1 6 2 34.72 69.439 1.35241 40.6 4.2 4.0 5.9
59 4 1 3 35.125 70.249 1.33879 10.3 1.1 1.0 5.9
60 8 0 0 35.487 70.973 1.32689 26.3 2.8 2.6 5.9
61 4 5 1 36.012 72.025 1.31009 12.4 1.3 1.2 5.9
62 4 4 2 36.315 72.63 1.30066 127.2 13.3 12.6 6.0
63 5 0 3 36.397 72.794 1.29813 26.5 2.8 2.6 6.0
64 6 3 1 36.644 73.289 1.29058 64.7 6.8 6.4 6.0
65 8 0 1 36.959 73.918 1.28115 66.2 6.9 6.5 6.0
66 2 7 1 37.897 75.793 1.25404 99.2 10.4 9.7 6.0
67 5 1 3 38.274 76.549 1.24353 68.1 7.1 6.7 6.0
68 0 0 4 38.759 77.517 1.2304 25.0 2.6 2.4 6.0
69 5 5 0 38.934 77.868 1.22573 50.6 5.3 4.9 6.0
70 1 0 4 39.067 78.134 1.22222 17.4 1.8 1.7 6.0
71 6 4 0 39.242 78.485 1.21764 9.9 1.0 1.0 6.0
72 8 1 1 39.75 79.5 1.20462 30.7 3.2 3.0 6.0
73 4 3 3 40.123 80.245 1.1953 13.0 1.4 1.3 6.0
74 6 4 1 40.668 81.336 1.182 10.4 1.1 1.0 6.1
75 2 1 4 40.906 81.812 1.17633 21.3 2.2 2.1 6.1
76 3 6 2 40.959 81.919 1.17506 41.2 4.3 4.0 6.1
77 8 0 2 41.264 82.528 1.16792 28.1 2.9 2.7 6.1
78 2 8 0 41.687 83.374 1.15821 13.3 1.4 1.3 6.1
79 2 7 2 42.175 84.35 1.14728 63.1 6.6 6.1 6.1
80 2 2 4 42.425 84.849 1.1418 13.8 1.4 1.3 6.1
81 3 1 4 42.728 85.455 1.13525 16.5 1.7 1.6 6.1
82 4 0 4 43.634 87.269 1.11626 19.8 2.1 1.9 6.2
83 8 1 2 43.99 87.979 1.10907 25.7 2.7 2.5 6.2
84 2 3 4 44.54 89.08 1.09819 37.0 3.9 3.5 6.2
85 5 5 2 44.593 89.186 1.09716 21.6 2.3 2.1 6.2
86 4 6 2 44.895 89.79 1.09134 13.7 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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