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
3, at 410'C
[Mg(Ti,Zr)](2)Mg(6)(Al,Mg)(6)Si(8)O(28)(OH)(10)
Hexagonal P 6(3) Z = 1
R =0.032 NR =384
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 = 12.2517 alpha = 90.0
b = 12.2517 beta = 90.0
c = 4.9308 gamma = 120.0
Unit cell volume (cub. angs.) = 640.97
Molar volume ( cub.cm/mol.) = 386.08
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4271 0.3392 0.0 0.01 Mg = 1.00
2 0.3484 0.4201 0.4954 0.02 Al = 1.00
3 0.0 0.0 0.2034 0.02 Mg = 0.5 , Ti = 0.5
4 0.6667 0.3333 0.7847 0.01 Si = 1.00
5 0.3068 0.1489 0.4794 0.02 Si = 1.00
6 0.2794 0.3436 0.1712 0.01 O = 1.00
7 0.3836 0.1767 0.1941 0.01 O = 1.00
8 0.3543 0.2827 0.6295 0.01 O = 1.00
9 0.1539 0.0736 0.4349 0.02 O = 1.00
10 0.4737 0.5218 0.8153 0.01 O = 1.00
11 0.3891 0.5806 0.3895 0.02 O = 1.00
12 0.3333 0.6667 0.9507 0.04 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4271 0.3392 0.0
2 2 0.3484 0.4201 0.4954
3 3 0.0 0.0 0.2034
4 4 0.6667 0.3333 0.7847
5 5 0.3068 0.1489 0.4794
6 6 0.2794 0.3436 0.1712
7 7 0.3836 0.1767 0.1941
8 8 0.3543 0.2827 0.6295
9 9 0.1539 0.0736 0.4349
10 10 0.4737 0.5218 0.8153
11 11 0.3891 0.5806 0.3895
12 12 0.3333 0.6667 0.9507
13 1 0.6608 0.0879 0.0
14 1 0.9121 0.5729 0.0
15 2 0.5799 0.9283 0.4954
16 2 0.0717 0.6516 0.4954
17 5 0.8511 0.1579 0.4794
18 5 0.8421 0.6932 0.4794
19 6 0.6564 0.9358 0.1712
20 6 0.0642 0.7206 0.1712
21 7 0.8233 0.2069 0.1941
22 7 0.7931 0.6164 0.1941
23 8 0.7173 0.0716 0.6295
24 8 0.9284 0.6457 0.6295
25 9 0.9264 0.0803 0.4349
26 9 0.9197 0.8461 0.4349
27 10 0.4782 0.9519 0.8153
28 10 0.0481 0.5263 0.8153
29 11 0.4194 0.8085 0.3895
30 11 0.1915 0.6109 0.3895
31 1 0.5729 0.6608 0.5
32 2 0.6516 0.5799 0.9954
33 3 0.0 0.0 0.7034
34 4 0.3333 0.6667 0.2847
35 5 0.6932 0.8511 0.9794
36 6 0.7206 0.6564 0.6712
37 7 0.6164 0.8233 0.6941
38 8 0.6457 0.7173 0.1295
39 9 0.8461 0.9264 0.9349
40 10 0.5263 0.4782 0.3153
41 11 0.6109 0.4194 0.8895
42 12 0.6667 0.3333 0.4507
43 1 0.3392 0.9121 0.5
44 1 0.0879 0.4271 0.5
45 2 0.4201 0.0717 0.9954
46 2 0.9283 0.3484 0.9954
47 5 0.1489 0.8421 0.9794
48 5 0.1579 0.3068 0.9794
49 6 0.3436 0.0642 0.6712
50 6 0.9358 0.2794 0.6712
51 7 0.1767 0.7931 0.6941
52 7 0.2069 0.3836 0.6941
53 8 0.2827 0.9284 0.1295
54 8 0.0716 0.3543 0.1295
55 9 0.0736 0.9197 0.9349
56 9 0.0803 0.1539 0.9349
57 10 0.5218 0.0481 0.3153
58 10 0.9519 0.4737 0.3153
59 11 0.5806 0.1915 0.8895
60 11 0.8085 0.3891 0.8895
X-ray density (g/cm cub.) = 3.14
MU (1/cm) = 116.556 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
2.0218 6
2.0255 7
1.9987 8
2.2098 10
2.1736 10
2.0299 11
2 Al 2.316 6
1.832 6
1.8433 8
2.1177 10
1.8459 11
2.12 10
1.8413 7
3 Mg ,Ti 2.568 6
1.9928 9
1.9927 9
1.9928 9
2.1026 9
2.1025 9
2.1026 9
4 Si 2.1 4
1.6026 11
1.6469 12
1.6016 11
1.6014 11
5 Si 2.1 4
1.6309 7
1.6185 8
1.6371 9
1.6255 6
6 O 3.264 11
2.9042 7
2.6814 8
3.0361 8
3.1482 9
2.8837 10
2.7375 11
2.7178 10
2.8482 7
2.6455 7
2.6221 8
2.6534 9
7 O 3.264 11
2.9042 6
2.625 8
3.1673 8
2.7148 9
3.2558 10
3.2515 11
2.6454 6
2.8481 6
2.6689 8
2.8937 10
2.7706 11
8 O 3.264 10
3.0361 6
2.6814 6
3.1673 7
2.625 7
2.6874 9
2.6973 10
2.7442 10
3.0111 11
2.6219 6
2.6691 7
9 O 3.264 10
3.1482 6
2.7148 7
2.6874 8
2.8291 9
2.8291 9
2.6533 6
2.9574 9
2.9574 9
2.9575 9
2.9575 9
10 O 3.264 12
2.8837 6
2.6973 8
3.2181 11
2.5977 11
3.1 12
2.7178 6
3.2558 7
2.7442 8
2.6689 10
2.6689 10
2.5772 11
2.8939 7
11 O 3.264 11
2.7375 6
2.5977 10
3.2181 10
3.1557 12
2.6425 12
2.6262 11
2.6262 11
3.2515 7
3.0111 8
2.5772 10
2.7707 7
12 O 3.264 10
3.1 10
2.6425 11
3.1557 11
3.0989 10
3.0988 10
2.6418 11
3.1552 11
2.6417 11
3.1551 11
3.2637 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 4.163 8.326 0.047 376.49 6 9.9 54.2
2 1 1 0 7.224 14.447 0.082 123.54 6 20.2 73.5
3 2 0 0 8.349 16.697 0.094 91.93 6 20.8 58.0
4 1 0 1 9.919 19.839 0.112 64.48 12 34.6 225.6
5 1 2 0 11.074 22.148 0.125 51.31 6 20.7 32.3
6 2 1 0 11.074 22.148 0.125 51.31 6 37.5 105.6
7 1 1 1 11.568 23.137 0.13 46.84 12 11.4 17.8
8 2 0 1 12.314 24.629 0.138 41.1 12 62.5 468.9
9 3 0 0 12.579 25.159 0.141 39.3 6 78.6 354.9
10 1 2 1 14.334 28.669 0.161 29.8 12 80.5 564.2
11 2 1 1 14.334 28.669 0.161 29.8 12 66.3 382.6
12 2 2 0 14.565 29.131 0.163 28.8 6 102.8 444.3
13 1 3 0 15.174 30.348 0.17 26.38 6 6.6 1.7
14 3 1 0 15.174 30.348 0.17 26.38 6 17.8 12.2
15 3 0 1 15.547 31.094 0.174 25.04 12 31.8 74.0
16 4 0 0 16.881 33.763 0.188 20.96 6 94.8 275.0
17 2 2 1 17.221 34.442 0.192 20.07 12 8.2 4.0
18 1 3 1 17.748 35.495 0.198 18.79 12 32.4 57.8
19 3 1 1 17.748 35.495 0.198 18.79 12 37.1 75.4
20 0 0 2 18.206 36.412 0.203 17.77 2 98.4 83.7
21 2 3 0 18.448 36.896 0.205 17.26 6 4.7 0.6
22 3 2 0 18.448 36.896 0.205 17.26 6 22.6 12.9
23 1 0 2 18.709 37.418 0.208 16.73 12 23.4 26.9
24 4 0 1 19.253 38.506 0.214 15.71 12 72.9 243.8
25 1 4 0 19.432 38.863 0.216 15.39 6 18.8 7.9
26 4 1 0 19.432 38.863 0.216 15.39 6 34.0 26.0
27 1 1 2 19.681 39.363 0.219 14.96 12 66.1 191.0
28 2 0 2 20.153 40.306 0.224 14.19 12 26.2 28.4
29 2 3 1 20.665 41.33 0.229 13.42 12 81.1 257.6
30 3 2 1 20.665 41.33 0.229 13.42 12 61.1 146.3
31 5 0 0 21.284 42.568 0.236 12.56 6 15.2 4.3
32 1 2 2 21.516 43.031 0.238 12.26 12 53.8 103.5
33 2 1 2 21.516 43.031 0.238 12.26 12 47.1 79.6
34 1 4 1 21.564 43.127 0.239 12.2 12 30.3 32.8
35 4 1 1 21.564 43.127 0.239 12.2 12 5.5 1.1
36 3 3 0 22.162 44.324 0.245 11.47 6 19.9 6.6
37 3 0 2 22.387 44.773 0.247 11.21 12 48.8 77.9
38 2 4 0 22.591 45.182 0.249 10.99 6 40.1 25.7
39 4 2 0 22.591 45.182 0.249 10.99 6 17.2 4.8
40 5 0 1 23.277 46.554 0.257 10.27 12 55.1 91.2
41 2 2 2 23.645 47.291 0.26 9.91 12 46.6 62.8
42 1 5 0 23.841 47.683 0.262 9.72 6 25.6 9.3
43 5 1 0 23.841 47.683 0.262 9.72 6 11.8 2.0
44 1 3 2 24.054 48.107 0.265 9.53 12 20.9 12.1
45 3 1 2 24.054 48.107 0.265 9.53 12 35.1 34.2
46 3 3 1 24.098 48.196 0.265 9.49 12 10.1 2.8
47 2 4 1 24.5 49.001 0.269 9.14 12 36.3 35.2
48 4 2 1 24.5 49.001 0.269 9.14 12 44.4 52.6
49 4 0 2 25.249 50.497 0.277 8.54 12 104.9 274.6
50 1 5 1 25.68 51.36 0.281 8.21 12 72.3 125.5
51 5 1 1 25.68 51.36 0.281 8.21 12 63.1 95.4
52 6 0 0 25.823 51.645 0.283 8.11 6 45.5 24.6
53 3 4 0 26.206 52.411 0.287 7.84 6 20.2 4.7
54 4 3 0 26.206 52.411 0.287 7.84 6 22.2 5.6
55 2 3 2 26.404 52.808 0.289 7.71 12 49.2 54.5
56 3 2 2 26.404 52.808 0.289 7.71 12 48.0 51.9
57 2 5 0 26.96 53.92 0.294 7.35 6 2.9 0.1
58 5 2 0 26.96 53.92 0.294 7.35 6 2.4 0.1
59 1 4 2 27.155 54.309 0.296 7.23 12 25.3 13.6
60 4 1 2 27.155 54.309 0.296 7.23 12 8.7 1.6
61 6 0 1 27.565 55.13 0.3 6.99 12 41.6 35.3
62 3 4 1 27.931 55.862 0.304 6.78 12 37.4 27.7
63 4 3 1 27.931 55.862 0.304 6.78 12 36.2 26.0
64 1 0 3 28.31 56.62 0.308 6.58 12 2.9 0.2
65 1 6 0 28.428 56.856 0.309 6.52 6 52.0 25.8
66 6 1 0 28.428 56.856 0.309 6.52 6 51.7 25.4
67 5 0 2 28.616 57.231 0.311 6.42 12 38.0 27.1
68 2 5 1 28.655 57.309 0.311 6.4 12 52.4 51.4
69 5 2 1 28.655 57.309 0.311 6.4 12 59.2 65.5
70 1 1 3 29.028 58.055 0.315 6.22 12 9.0 1.5
71 3 3 2 29.328 58.657 0.318 6.07 12 71.5 90.6
72 2 0 3 29.382 58.764 0.318 6.05 12 3.7 0.2
73 2 4 2 29.681 59.361 0.321 5.91 12 36.1 22.5
74 4 2 2 29.681 59.361 0.321 5.91 12 45.2 35.3
75 1 6 1 30.068 60.136 0.325 5.74 12 54.5 49.8
76 6 1 1 30.068 60.136 0.325 5.74 12 24.7 10.2
77 4 4 0 30.197 60.393 0.326 5.69 6 186.9 290.4
78 1 2 3 30.43 60.86 0.329 5.59 12 79.6 103.5
79 2 1 3 30.43 60.86 0.329 5.59 12 73.6 88.4
80 3 5 0 30.543 61.086 0.33 5.55 6 19.9 3.2
81 5 3 0 30.543 61.086 0.33 5.55 6 10.7 0.9
82 7 0 0 30.543 61.086 0.33 5.55 6 16.2 2.1
83 1 5 2 30.722 61.445 0.332 5.48 12 52.1 43.4
84 5 1 2 30.722 61.445 0.332 5.48 12 34.2 18.7
85 3 0 3 31.117 62.234 0.335 5.32 12 11.9 2.2
86 2 6 0 31.568 63.136 0.34 5.16 6 33.5 8.4
87 6 2 0 31.568 63.136 0.34 5.16 6 9.8 0.7
88 4 4 1 31.781 63.562 0.342 5.08 12 8.5 1.1
89 3 5 1 32.117 64.234 0.345 4.97 12 34.5 17.3
90 5 3 1 32.117 64.234 0.345 4.97 12 41.1 24.5
91 7 0 1 32.117 64.234 0.345 4.97 12 27.9 11.3
92 2 2 3 32.132 64.263 0.345 4.96 12 18.9 5.2
93 6 0 2 32.415 64.83 0.348 4.87 12 32.4 14.9
94 1 3 3 32.466 64.932 0.348 4.85 12 13.0 2.4
95 3 1 3 32.466 64.932 0.348 4.85 12 34.5 16.9
96 3 4 2 32.748 65.496 0.351 4.76 12 43.2 25.9
97 4 3 2 32.748 65.496 0.351 4.76 12 28.4 11.3
98 2 6 1 33.115 66.23 0.355 4.65 12 28.1 10.7
99 6 2 1 33.115 66.23 0.355 4.65 12 28.9 11.3
100 1 7 0 33.237 66.473 0.356 4.61 6 46.0 14.3
101 7 1 0 33.237 66.473 0.356 4.61 6 97.9 64.6
102 2 5 2 33.408 66.817 0.357 4.56 12 53.9 38.7
103 5 2 2 33.408 66.817 0.357 4.56 12 65.5 57.3
104 4 0 3 33.458 66.916 0.358 4.55 12 120.5 193.1
105 2 3 3 34.436 68.872 0.367 4.28 12 60.3 45.5
106 3 2 3 34.436 68.872 0.367 4.28 12 48.1 28.9
107 4 5 0 34.542 69.083 0.368 4.26 6 21.1 2.8
108 5 4 0 34.542 69.083 0.368 4.26 6 40.3 10.1
109 1 6 2 34.71 69.42 0.37 4.22 12 39.0 18.8
110 6 1 2 34.71 69.42 0.37 4.22 12 22.7 6.4
111 1 7 1 34.745 69.49 0.37 4.21 12 10.1 1.3
112 7 1 1 34.745 69.49 0.37 4.21 12 30.6 11.5
113 1 4 3 35.081 70.162 0.373 4.13 12 10.8 1.4
114 4 1 3 35.081 70.162 0.373 4.13 12 26.3 8.3
115 3 6 0 35.185 70.371 0.374 4.1 6 0.4 0.0
116 6 3 0 35.185 70.371 0.374 4.1 6 13.5 1.1
117 8 0 0 35.505 71.011 0.377 4.03 6 67.3 26.6
118 4 5 1 36.025 72.049 0.382 3.91 12 27.0 8.3
119 5 4 1 36.025 72.049 0.382 3.91 12 20.1 4.6
120 4 4 2 36.307 72.614 0.384 3.86 12 107.2 129.5
121 5 0 3 36.355 72.71 0.385 3.85 12 49.0 27.0
122 2 7 0 36.458 72.916 0.386 3.82 6 0.6 0.0
123 7 2 0 36.458 72.916 0.386 3.82 6 11.5 0.7
124 3 5 2 36.623 73.246 0.387 3.79 12 29.8 9.8
125 5 3 2 36.623 73.246 0.387 3.79 12 14.9 2.4
126 7 0 2 36.623 73.246 0.387 3.79 12 15.4 2.6
127 3 6 1 36.657 73.314 0.388 3.79 12 42.5 20.0
128 6 3 1 36.657 73.314 0.388 3.79 12 49.4 26.9
129 8 0 1 36.972 73.944 0.39 3.73 12 79.5 68.7
130 3 3 3 36.985 73.971 0.391 3.72 12 2.7 0.1
131 2 4 3 37.299 74.598 0.393 3.66 12 11.6 1.4
132 4 2 3 37.299 74.598 0.393 3.66 12 5.0 0.3
133 2 6 2 37.564 75.129 0.396 3.62 12 10.4 1.1
134 6 2 2 37.564 75.129 0.396 3.62 12 26.8 7.6
135 2 7 1 37.91 75.821 0.399 3.56 12 77.3 62.1
136 7 2 1 37.91 75.821 0.399 3.56 12 60.2 37.6
137 1 5 3 38.235 76.47 0.402 3.51 12 57.7 34.0
138 5 1 3 38.235 76.47 0.402 3.51 12 59.2 35.8
139 1 8 0 38.336 76.672 0.403 3.49 6 1.7 0.0
140 8 1 0 38.336 76.672 0.403 3.49 6 9.4 0.4
141 0 0 4 38.673 77.346 0.406 3.44 2 123.4 25.5
142 5 5 0 38.955 77.91 0.408 3.4 6 99.4 49.0
143 1 0 4 38.982 77.964 0.408 3.39 12 41.7 17.2
144 1 7 2 39.116 78.232 0.41 3.37 12 20.9 4.3
145 7 1 2 39.116 78.232 0.41 3.37 12 11.0 1.2
146 4 6 0 39.264 78.527 0.411 3.35 6 26.6 3.5
147 6 4 0 39.264 78.527 0.411 3.35 6 34.1 5.7
148 1 1 4 39.598 79.196 0.414 3.31 12 17.9 3.1
149 1 8 1 39.765 79.53 0.415 3.28 12 31.2 9.4
150 8 1 1 39.765 79.53 0.415 3.28 12 46.3 20.6
151 6 0 3 39.778 79.557 0.415 3.28 12 0.8 0.0
152 2 0 4 39.905 79.81 0.416 3.27 12 14.2 1.9
153 3 4 3 40.085 80.17 0.418 3.24 12 25.1 6.0
154 4 3 3 40.085 80.17 0.418 3.24 12 26.5 6.7
155 3 7 0 40.185 80.37 0.419 3.23 6 17.9 1.5
156 7 3 0 40.185 80.37 0.419 3.23 6 6.1 0.2
157 4 5 2 40.345 80.69 0.42 3.21 12 15.2 2.2
158 5 4 2 40.345 80.69 0.42 3.21 12 26.2 6.4
159 5 5 1 40.378 80.756 0.421 3.21 12 2.2 0.0
160 4 6 1 40.684 81.368 0.423 3.17 12 17.9 3.0
161 6 4 1 40.684 81.368 0.423 3.17 12 27.8 7.2
162 2 5 3 40.697 81.394 0.423 3.17 12 11.0 1.1
163 5 2 3 40.697 81.394 0.423 3.17 12 16.0 2.4
164 9 0 0 40.797 81.593 0.424 3.16 6 0.9 0.0
165 1 2 4 40.823 81.646 0.424 3.16 12 20.4 3.8
166 2 1 4 40.823 81.646 0.424 3.16 12 44.4 18.2
167 3 6 2 40.956 81.912 0.425 3.14 12 48.6 21.7
168 6 3 2 40.956 81.912 0.425 3.14 12 47.4 20.7
169 8 0 2 41.261 82.521 0.428 3.11 12 57.0 29.5
170 3 0 4 41.433 82.865 0.43 3.09 12 18.7 3.1
171 3 7 1 41.598 83.196 0.431 3.08 12 22.0 4.3
172 7 3 1 41.598 83.196 0.431 3.08 12 23.3 4.9
173 2 8 0 41.71 83.421 0.432 3.07 6 40.3 7.3
174 8 2 0 41.71 83.421 0.432 3.07 6 37.4 6.3
175 1 6 3 41.915 83.83 0.434 3.05 12 20.2 3.6
176 6 1 3 41.915 83.83 0.434 3.05 12 16.9 2.5
177 2 7 2 42.173 84.345 0.436 3.02 12 64.3 36.5
178 7 2 2 42.173 84.345 0.436 3.02 12 48.3 20.6
179 9 0 1 42.206 84.411 0.436 3.02 12 25.3 5.6
180 2 2 4 42.344 84.688 0.437 3.01 12 40.0 14.0
181 1 3 4 42.647 85.294 0.44 2.98 12 29.2 7.4
182 3 1 4 42.647 85.294 0.44 2.98 12 31.1 8.4
183 2 8 1 43.115 86.229 0.444 2.95 12 6.0 0.3
184 8 2 1 43.115 86.229 0.444 2.95 12 27.3 6.4
185 4 4 3 43.43 86.86 0.446 2.92 12 12.3 1.3
186 4 0 4 43.555 87.11 0.447 2.91 12 47.6 19.3
187 3 5 3 43.733 87.465 0.449 2.9 12 9.7 0.8
188 5 3 3 43.733 87.465 0.449 2.9 12 13.8 1.6
189 7 0 3 43.733 87.465 0.449 2.9 12 1.6 0.0
190 1 9 0 43.831 87.662 0.45 2.9 6 20.1 1.7
191 5 6 0 43.831 87.662 0.45 2.9 6 20.4 1.8
192 6 5 0 43.831 87.662 0.45 2.9 6 17.8 1.3
193 9 1 0 43.831 87.662 0.45 2.9 6 21.5 1.9
194 1 8 2 43.989 87.978 0.451 2.89 12 35.5 10.6
195 8 1 2 43.989 87.978 0.451 2.89 12 44.1 16.4
196 4 7 0 44.435 88.871 0.454 2.86 6 5.8 0.1
197 7 4 0 44.435 88.871 0.454 2.86 6 26.8 3.0
198 2 3 4 44.462 88.923 0.455 2.86 12 55.4 25.6
199 3 2 4 44.462 88.923 0.455 2.86 12 39.3 12.9
200 5 5 2 44.593 89.186 0.456 2.85 12 50.8 21.5
201 2 6 3 44.639 89.278 0.456 2.85 12 10.7 1.0
202 6 2 3 44.639 89.278 0.456 2.85 12 18.2 2.8
203 4 6 2 44.895 89.79 0.458 2.83 12 30.9 7.9
204 6 4 2 44.895 89.79 0.458 2.83 12 21.9 4.0
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 4.163 8.326 10.61028 54.2 5.7 5.8 5.6
2 1 1 0 7.224 14.447 6.12585 73.5 7.8 7.8 5.6
3 2 0 0 8.349 16.697 5.30514 58.0 6.1 6.2 5.6
4 1 0 1 9.919 19.839 4.47154 225.6 23.8 24.0 5.6
5 2 1 0 11.074 22.148 4.01031 137.8 14.6 14.6 5.6
6 1 1 1 11.568 23.137 3.84108 17.8 1.9 1.9 5.6
7 2 0 1 12.314 24.629 3.6117 468.9 49.5 49.7 5.6
8 3 0 0 12.579 25.159 3.53676 354.9 37.5 37.6 5.6
9 1 2 1 14.334 28.669 3.11121 946.8 100.0 100.0 5.6
10 2 2 0 14.565 29.131 3.06293 444.3 46.9 46.9 5.6
11 3 1 0 15.174 30.348 2.94276 13.9 1.5 1.5 5.6
12 3 0 1 15.547 31.094 2.87391 74.0 7.8 7.8 5.6
13 4 0 0 16.881 33.763 2.65257 275.0 29.0 28.9 5.7
14 3 1 1 17.748 35.495 2.52695 133.2 14.1 14.0 5.7
15 0 0 2 18.206 36.412 2.4654 83.7 8.8 8.8 5.7
16 3 2 0 18.448 36.896 2.43417 12.9 1.4 1.4 5.7
17 1 0 2 18.709 37.418 2.40142 26.9 2.8 2.8 5.7
18 4 0 1 19.253 38.506 2.336 243.8 25.7 25.5 5.7
19 4 1 0 19.432 38.863 2.31535 33.9 3.6 3.6 5.7
20 1 1 2 19.681 39.363 2.28712 191.0 20.2 20.0 5.7
21 2 0 2 20.153 40.306 2.23577 28.4 3.0 3.0 5.7
22 2 3 1 20.665 41.33 2.18269 403.9 42.7 42.2 5.7
23 1 2 2 21.516 43.031 2.10026 183.1 19.3 19.1 5.7
24 1 4 1 21.564 43.127 2.0958 33.9 3.6 3.5 5.7
25 3 0 2 22.387 44.773 2.02251 77.9 8.2 8.1 5.7
26 2 4 0 22.591 45.182 2.00516 30.5 3.2 3.2 5.7
27 5 0 1 23.277 46.554 1.94921 91.2 9.6 9.5 5.7
28 2 2 2 23.645 47.291 1.92054 62.8 6.6 6.5 5.7
29 1 5 0 23.841 47.683 1.90566 11.3 1.2 1.2 5.7
30 3 1 2 24.054 48.107 1.88983 46.4 4.9 4.8 5.7
31 4 2 1 24.5 49.001 1.85744 87.8 9.3 9.1 5.7
32 4 0 2 25.249 50.497 1.80585 274.6 29.0 28.4 5.8
33 1 5 1 25.68 51.36 1.77753 220.9 23.3 22.8 5.8
34 6 0 0 25.823 51.645 1.76838 24.6 2.6 2.5 5.8
35 4 3 0 26.206 52.411 1.74432 10.3 1.1 1.1 5.8
36 2 3 2 26.404 52.808 1.73215 106.4 11.2 11.0 5.8
37 1 4 2 27.155 54.309 1.68776 15.1 1.6 1.6 5.8
38 6 0 1 27.565 55.13 1.66457 35.3 3.7 3.6 5.8
39 3 4 1 27.931 55.862 1.64445 53.7 5.7 5.5 5.8
40 1 6 0 28.428 56.856 1.61805 51.2 5.4 5.2 5.8
41 5 0 2 28.616 57.231 1.60833 27.1 2.9 2.8 5.8
42 5 2 1 28.655 57.309 1.60632 116.9 12.3 12.0 5.8
43 3 3 2 29.328 58.657 1.5726 90.6 9.6 9.3 5.8
44 4 2 2 29.681 59.361 1.55561 57.8 6.1 5.9 5.8
45 1 6 1 30.068 60.136 1.53739 60.1 6.3 6.1 5.8
46 4 4 0 30.197 60.393 1.53146 290.4 30.7 29.6 5.8
47 1 2 3 30.43 60.86 1.52083 191.8 20.3 19.5 5.8
48 1 5 2 30.722 61.445 1.50775 62.1 6.6 6.3 5.8
49 5 3 1 32.117 64.234 1.44884 58.2 6.2 5.9 5.9
50 6 0 2 32.415 64.83 1.43695 14.9 1.6 1.5 5.9
51 3 1 3 32.466 64.932 1.43495 19.3 2.0 2.0 5.9
52 3 4 2 32.748 65.496 1.42395 37.2 3.9 3.8 5.9
53 6 2 1 33.115 66.23 1.40994 22.0 2.3 2.2 5.9
54 7 1 0 33.237 66.473 1.40537 78.9 8.3 8.0 5.9
55 5 2 2 33.408 66.817 1.39898 96.0 10.1 9.7 5.9
56 4 0 3 33.458 66.916 1.39713 193.1 20.4 19.5 5.9
57 2 3 3 34.436 68.872 1.36216 74.5 7.9 7.5 5.9
58 5 4 0 34.542 69.083 1.35851 12.9 1.4 1.3 5.9
59 1 6 2 34.71 69.42 1.35274 25.1 2.7 2.5 5.9
60 7 1 1 34.745 69.49 1.35154 12.7 1.3 1.3 5.9
61 4 1 3 35.081 70.162 1.34025 9.7 1.0 1.0 5.9
62 8 0 0 35.505 71.011 1.32629 26.6 2.8 2.7 5.9
63 4 5 1 36.025 72.049 1.30971 12.9 1.4 1.3 5.9
64 4 4 2 36.307 72.614 1.3009 129.5 13.7 12.9 6.0
65 5 0 3 36.355 72.71 1.29942 27.0 2.8 2.7 6.0
66 3 5 2 36.623 73.246 1.29124 14.9 1.6 1.5 6.0
67 6 3 1 36.657 73.314 1.2902 47.0 5.0 4.7 6.0
68 8 0 1 36.972 73.944 1.28076 68.8 7.3 6.9 6.0
69 2 7 1 37.91 75.821 1.25366 99.7 10.5 9.9 6.0
70 5 1 3 38.235 76.47 1.24462 69.9 7.4 6.9 6.0
71 0 0 4 38.673 77.346 1.2327 25.5 2.7 2.5 6.0
72 5 5 0 38.955 77.91 1.22517 66.2 7.0 6.5 6.0
73 8 1 1 39.765 79.53 1.20423 30.0 3.2 3.0 6.0
74 4 3 3 40.085 80.17 1.19622 12.6 1.3 1.2 6.0
75 6 4 1 40.684 81.368 1.18162 13.6 1.4 1.3 6.1
76 2 1 4 40.823 81.646 1.17829 22.0 2.3 2.2 6.1
77 3 6 2 40.956 81.912 1.17514 42.4 4.5 4.1 6.1
78 8 0 2 41.261 82.521 1.168 29.5 3.1 2.9 6.1
79 2 8 0 41.71 83.421 1.15768 13.6 1.4 1.3 6.1
80 2 7 2 42.173 84.345 1.14733 57.1 6.0 5.6 6.1
81 2 2 4 42.344 84.688 1.14356 14.0 1.5 1.4 6.1
82 3 1 4 42.647 85.294 1.13698 15.9 1.7 1.5 6.1
83 4 0 4 43.555 87.11 1.11788 19.3 2.0 1.9 6.1
84 8 1 2 43.989 87.978 1.10909 27.0 2.8 2.6 6.2
85 3 2 4 44.462 88.923 1.09972 41.5 4.4 4.0 6.2
86 5 5 2 44.593 89.186 1.09716 21.5 2.3 2.1 6.2
87 4 6 2 44.895 89.79 1.09134 11.9 1.3 1.1 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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