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
6, at 32 kbar
[Mg(Ti,Zr)](2)Mg(6)(Al,Mg)(6)Si(8)O(28)(OH)(10)
Hexagonal P 6(3) Z = 1
P6(3)
28 .11 .1997
Ref.Str.:
Comodi P., Zannazi P.F. (1997)
* Eur. J. Mineral., 5, 831-838
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.16 alpha = 90.0
b = 12.16 beta = 90.0
c = 4.882 gamma = 120.0
Unit cell volume (cub. angs.) = 625.17
Molar volume ( cub.cm/mol.) = 376.56
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4285 0.3379 0.0 0.01 Mg = 1.00
2 0.3514 0.4208 0.4957 0.0 Al = 1.00
3 0.0 0.0 0.1971 0.01 Mg = 0.25, Ti = 0.32
4 0.6667 0.3333 0.7701 0.0 Si = 1.00
5 0.3065 0.1476 0.4771 0.0 Si = 1.00
6 0.2805 0.341 0.1714 0.01 O = 1.00
7 0.3869 0.1769 0.1922 0.01 O = 1.00
8 0.3552 0.2827 0.6329 0.0 O = 1.00
9 0.1536 0.0727 0.4238 0.01 O = 1.00
10 0.4728 0.522 0.8143 0.01 O = 1.00
11 0.39 0.5807 0.3762 0.01 O = 1.00
12 0.3333 0.6667 0.9314 0.02 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4285 0.3379 0.0
2 2 0.3514 0.4208 0.4957
3 3 0.0 0.0 0.1971
4 4 0.6667 0.3333 0.7701
5 5 0.3065 0.1476 0.4771
6 6 0.2805 0.341 0.1714
7 7 0.3869 0.1769 0.1922
8 8 0.3552 0.2827 0.6329
9 9 0.1536 0.0727 0.4238
10 10 0.4728 0.522 0.8143
11 11 0.39 0.5807 0.3762
12 12 0.3333 0.6667 0.9314
13 1 0.6621 0.0906 0.0
14 1 0.9094 0.5715 0.0
15 2 0.5792 0.9306 0.4957
16 2 0.0694 0.6486 0.4957
17 5 0.8524 0.1589 0.4771
18 5 0.8411 0.6935 0.4771
19 6 0.659 0.9395 0.1714
20 6 0.0605 0.7195 0.1714
21 7 0.8231 0.21 0.1922
22 7 0.79 0.6131 0.1922
23 8 0.7173 0.0725 0.6329
24 8 0.9275 0.6448 0.6329
25 9 0.9273 0.0809 0.4238
26 9 0.9191 0.8464 0.4238
27 10 0.478 0.9508 0.8143
28 10 0.0492 0.5272 0.8143
29 11 0.4193 0.8093 0.3762
30 11 0.1907 0.61 0.3762
31 1 0.5715 0.6621 0.5
32 2 0.6486 0.5792 0.9957
33 3 0.0 0.0 0.6971
34 4 0.3333 0.6667 0.2701
35 5 0.6935 0.8524 0.9771
36 6 0.7195 0.659 0.6714
37 7 0.6131 0.8231 0.6922
38 8 0.6448 0.7173 0.1329
39 9 0.8464 0.9273 0.9238
40 10 0.5272 0.478 0.3143
41 11 0.61 0.4193 0.8762
42 12 0.6667 0.3333 0.4314
43 1 0.3379 0.9094 0.5
44 1 0.0906 0.4285 0.5
45 2 0.4208 0.0694 0.9957
46 2 0.9306 0.3514 0.9957
47 5 0.1476 0.8411 0.9771
48 5 0.1589 0.3065 0.9771
49 6 0.341 0.0605 0.6714
50 6 0.9395 0.2805 0.6714
51 7 0.1769 0.79 0.6922
52 7 0.21 0.3869 0.6922
53 8 0.2827 0.9275 0.1329
54 8 0.0725 0.3552 0.1329
55 9 0.0727 0.9191 0.9238
56 9 0.0809 0.1536 0.9238
57 10 0.522 0.0492 0.3143
58 10 0.9508 0.4728 0.3143
59 11 0.5807 0.1907 0.8762
60 11 0.8093 0.39 0.8762
X-ray density (g/cm cub.) = 3.14
MU (1/cm) = 108.734 Mass attenuation coefficient (cm**2/g) = 34.61
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.0021 6
1.9947 7
1.9643 8
2.2176 10
2.157 10
2.0079 11
2 Al 2.316 6
1.8316 6
1.8299 8
2.0727 10
1.8517 11
2.0859 10
1.8271 7
3 Mg ,Ti 2.568 6
1.9606 9
1.9605 9
1.9606 9
2.0974 9
2.0973 9
2.0974 9
4 Si 2.1 4
1.5995 11
1.6535 12
1.5985 11
1.5983 11
5 Si 2.1 4
1.6337 7
1.6295 8
1.6312 9
1.6253 6
6 O 3.264 11
2.8719 7
2.6548 8
2.9804 8
3.0837 9
2.8644 10
2.718 11
2.6951 10
2.8266 7
2.6454 7
2.6267 8
2.6485 9
7 O 3.264 12
2.8719 6
2.6322 8
3.1233 8
2.7088 9
3.2288 10
3.2298 11
3.1759 12
2.6453 6
2.8265 6
2.6539 8
2.8312 10
2.7506 11
8 O 3.264 11
2.9804 6
2.6548 6
3.1233 7
2.6322 7
2.7042 9
2.6712 10
2.7325 10
2.9365 11
2.6265 6
2.6541 7
3.2204 9
9 O 3.264 11
3.0837 6
2.7088 7
2.7042 8
2.8029 9
2.8029 9
2.6484 6
3.2202 8
2.9287 9
2.9287 9
2.9288 9
2.9288 9
10 O 3.264 12
2.8644 6
2.6712 8
3.1252 11
2.6108 11
3.0471 12
2.6951 6
3.2288 7
2.7325 8
2.6526 10
2.6526 10
2.553 11
2.8314 7
11 O 3.264 11
2.718 6
2.6108 10
3.1252 10
3.1043 12
2.6468 12
2.6197 11
2.6197 11
3.2298 7
2.9365 8
2.553 10
2.7507 7
12 O 3.264 12
3.0471 10
2.6468 11
3.1043 11
3.046 10
3.046 10
2.6462 11
3.1038 11
2.6461 11
3.1037 11
3.1759 7
3.175 7
3.1759 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 4.195 8.389 0.047 370.83 6 4.4 10.8
2 1 1 0 7.278 14.557 0.082 121.65 6 32.3 194.4
3 2 0 0 8.412 16.824 0.095 90.51 6 9.7 13.1
4 1 0 1 10.015 20.03 0.113 63.21 12 32.7 207.3
5 1 2 0 11.158 22.317 0.126 50.51 6 10.0 7.7
6 2 1 0 11.158 22.317 0.126 50.51 6 24.2 45.4
7 1 1 1 11.674 23.349 0.131 45.96 12 10.4 15.3
8 2 0 1 12.425 24.85 0.14 40.33 12 60.5 454.0
9 3 0 0 12.676 25.352 0.142 38.67 6 66.4 261.8
10 1 2 1 14.459 28.918 0.162 29.26 12 82.8 616.2
11 2 1 1 14.459 28.918 0.162 29.26 12 65.5 385.9
12 2 2 0 14.678 29.355 0.164 28.33 6 88.9 343.9
13 1 3 0 15.291 30.583 0.171 25.95 6 5.0 1.0
14 3 1 0 15.291 30.583 0.171 25.95 6 7.9 2.5
15 3 0 1 15.68 31.361 0.175 24.59 12 32.2 78.3
16 4 0 0 17.012 34.025 0.19 20.61 6 102.7 333.8
17 2 2 1 17.367 34.734 0.194 19.7 12 11.0 7.3
18 1 3 1 17.898 35.796 0.199 18.45 12 30.7 53.2
19 3 1 1 17.898 35.796 0.199 18.45 12 38.8 85.1
20 0 0 2 18.395 36.789 0.205 17.37 2 95.3 80.7
21 2 3 0 18.592 37.185 0.207 16.97 6 5.2 0.7
22 3 2 0 18.592 37.185 0.207 16.97 6 11.9 3.7
23 1 0 2 18.9 37.801 0.21 16.36 12 18.3 16.7
24 4 0 1 19.415 38.83 0.216 15.42 12 71.2 239.7
25 1 4 0 19.584 39.168 0.218 15.13 6 6.4 0.9
26 4 1 0 19.584 39.168 0.218 15.13 6 28.5 18.9
27 1 1 2 19.879 39.759 0.221 14.63 12 66.8 200.3
28 2 0 2 20.354 40.708 0.226 13.88 12 26.2 29.2
29 2 3 1 20.839 41.677 0.231 13.17 12 84.6 289.5
30 3 2 1 20.839 41.677 0.231 13.17 12 60.1 146.1
31 5 0 0 21.452 42.904 0.237 12.34 6 24.0 10.9
32 1 2 2 21.726 43.453 0.24 12.0 12 49.9 91.6
33 2 1 2 21.726 43.453 0.24 12.0 12 38.5 54.6
34 1 4 1 21.745 43.489 0.24 11.97 12 31.2 35.9
35 4 1 1 21.745 43.489 0.24 11.97 12 6.6 1.6
36 3 3 0 22.338 44.676 0.247 11.27 6 13.5 3.1
37 3 0 2 22.604 45.207 0.249 10.97 12 45.6 70.2
38 2 4 0 22.771 45.542 0.251 10.79 6 29.2 14.1
39 4 2 0 22.771 45.542 0.251 10.79 6 5.1 0.4
40 5 0 1 23.472 46.945 0.259 10.07 12 53.7 89.3
41 2 2 2 23.872 47.744 0.263 9.7 12 38.0 43.1
42 1 5 0 24.032 48.065 0.264 9.55 6 14.4 3.1
43 5 1 0 24.032 48.065 0.264 9.55 6 0.5 0.0
44 1 3 2 24.284 48.567 0.267 9.33 12 13.7 5.4
45 3 1 2 24.284 48.567 0.267 9.33 12 23.2 15.4
46 3 3 1 24.3 48.601 0.267 9.31 12 10.9 3.4
47 2 4 1 24.707 49.413 0.271 8.97 12 35.0 33.7
48 4 2 1 24.707 49.413 0.271 8.97 12 44.9 55.4
49 4 0 2 25.488 50.977 0.279 8.35 12 92.1 217.6
50 1 5 1 25.897 51.793 0.284 8.06 12 70.7 123.8
51 5 1 1 25.897 51.793 0.284 8.06 12 62.1 95.3
52 6 0 0 26.032 52.064 0.285 7.96 6 35.0 15.0
53 3 4 0 26.418 52.837 0.289 7.7 6 31.3 11.6
54 4 3 0 26.418 52.837 0.289 7.7 6 17.7 3.7
55 2 3 2 26.653 53.306 0.291 7.55 12 61.2 86.8
56 3 2 2 26.653 53.306 0.291 7.55 12 56.5 74.1
57 2 5 0 27.18 54.36 0.297 7.22 6 1.6 0.0
58 5 2 0 27.18 54.36 0.297 7.22 6 9.9 1.1
59 1 4 2 27.41 54.821 0.299 7.08 12 20.3 9.0
60 4 1 2 27.41 54.821 0.299 7.08 12 15.9 5.5
61 6 0 1 27.799 55.598 0.303 6.86 12 41.8 36.8
62 3 4 1 28.169 56.338 0.306 6.65 12 38.6 30.4
63 4 3 1 28.169 56.338 0.306 6.65 12 34.7 24.6
64 1 0 3 28.617 57.235 0.311 6.42 12 4.3 0.4
65 1 6 0 28.662 57.324 0.311 6.4 6 41.8 17.1
66 6 1 0 28.662 57.324 0.311 6.4 6 45.7 20.5
67 5 0 2 28.884 57.769 0.314 6.29 12 29.6 17.0
68 2 5 1 28.899 57.799 0.314 6.28 12 52.8 53.8
69 5 2 1 28.899 57.799 0.314 6.28 12 60.0 69.3
70 1 1 3 29.341 58.681 0.318 6.07 12 8.5 1.4
71 3 3 2 29.604 59.207 0.321 5.95 12 67.8 84.0
72 2 0 3 29.698 59.396 0.322 5.91 12 4.9 0.4
73 2 4 2 29.959 59.918 0.324 5.79 12 28.8 14.7
74 4 2 2 29.959 59.918 0.324 5.79 12 39.3 27.5
75 1 6 1 30.327 60.653 0.328 5.64 12 58.2 58.5
76 6 1 1 30.327 60.653 0.328 5.64 12 22.1 8.5
77 4 4 0 30.448 60.897 0.329 5.59 6 172.6 255.3
78 1 2 3 30.755 61.51 0.332 5.46 12 75.3 95.0
79 2 1 3 30.755 61.51 0.332 5.46 12 68.3 78.3
80 3 5 0 30.798 61.596 0.332 5.45 6 31.8 8.4
81 5 3 0 30.798 61.596 0.332 5.45 6 7.3 0.4
82 7 0 0 30.798 61.596 0.332 5.45 6 20.3 3.5
83 1 5 2 31.011 62.022 0.334 5.36 12 42.9 30.3
84 5 1 2 31.011 62.022 0.334 5.36 12 27.4 12.4
85 3 0 3 31.448 62.897 0.339 5.2 12 14.4 3.3
86 2 6 0 31.834 63.667 0.342 5.06 6 30.1 7.1
87 6 2 0 31.834 63.667 0.342 5.06 6 21.1 3.5
88 4 4 1 32.057 64.113 0.345 4.99 12 8.7 1.2
89 3 5 1 32.396 64.793 0.348 4.87 12 35.1 18.4
90 5 3 1 32.396 64.793 0.348 4.87 12 37.1 20.6
91 7 0 1 32.396 64.793 0.348 4.87 12 25.4 9.7
92 2 2 3 32.472 64.944 0.349 4.85 12 20.8 6.4
93 6 0 2 32.72 65.441 0.351 4.77 12 25.0 9.2
94 1 3 3 32.81 65.619 0.352 4.74 12 12.8 2.4
95 3 1 3 32.81 65.619 0.352 4.74 12 41.6 25.2
96 3 4 2 33.057 66.113 0.354 4.67 12 35.9 18.5
97 4 3 2 33.057 66.113 0.354 4.67 12 18.4 4.9
98 2 6 1 33.405 66.809 0.357 4.56 12 28.3 11.2
99 6 2 1 33.405 66.809 0.357 4.56 12 28.0 11.0
100 1 7 0 33.52 67.041 0.358 4.53 6 31.7 7.0
101 7 1 0 33.52 67.041 0.358 4.53 6 95.1 62.9
102 2 5 2 33.724 67.447 0.36 4.47 12 45.4 28.3
103 5 2 2 33.724 67.447 0.36 4.47 12 62.6 53.8
104 4 0 3 33.812 67.623 0.361 4.45 12 129.6 229.5
105 2 3 3 34.799 69.599 0.37 4.19 12 54.7 38.6
106 3 2 3 34.799 69.599 0.37 4.19 12 39.7 20.3
107 4 5 0 34.84 69.679 0.371 4.18 6 8.9 0.5
108 5 4 0 34.84 69.679 0.371 4.18 6 34.9 7.8
109 1 6 2 35.039 70.079 0.373 4.14 12 45.3 26.1
110 6 1 2 35.039 70.079 0.373 4.14 12 27.5 9.6
111 1 7 1 35.053 70.105 0.373 4.13 12 16.0 3.2
112 7 1 1 35.053 70.105 0.373 4.13 12 33.0 13.8
113 1 4 3 35.451 70.902 0.376 4.04 12 8.5 0.9
114 4 1 3 35.451 70.902 0.376 4.04 12 28.0 9.7
115 3 6 0 35.491 70.981 0.377 4.03 6 5.3 0.2
116 6 3 0 35.491 70.981 0.377 4.03 6 9.2 0.5
117 8 0 0 35.814 71.629 0.38 3.96 6 73.9 33.2
118 4 5 1 36.347 72.693 0.385 3.85 12 26.8 8.5
119 5 4 1 36.347 72.693 0.385 3.85 12 17.2 3.5
120 4 4 2 36.654 73.308 0.388 3.79 12 108.2 136.1
121 5 0 3 36.739 73.478 0.388 3.77 12 47.6 26.2
122 2 7 0 36.778 73.556 0.389 3.76 6 7.2 0.3
123 7 2 0 36.778 73.556 0.389 3.76 6 23.7 3.2
124 3 5 2 36.973 73.947 0.39 3.72 12 30.4 10.6
125 5 3 2 36.973 73.947 0.39 3.72 12 27.3 8.6
126 7 0 2 36.973 73.947 0.39 3.72 12 23.8 6.5
127 3 6 1 36.987 73.973 0.391 3.72 12 43.9 22.1
128 6 3 1 36.987 73.973 0.391 3.72 12 48.2 26.6
129 8 0 1 37.305 74.61 0.393 3.66 12 77.3 67.3
130 3 3 3 37.376 74.752 0.394 3.65 12 3.6 0.1
131 2 4 3 37.693 75.387 0.397 3.6 12 12.7 1.8
132 4 2 3 37.693 75.387 0.397 3.6 12 6.0 0.4
133 2 6 2 37.926 75.852 0.399 3.56 12 14.9 2.4
134 6 2 2 37.926 75.852 0.399 3.56 12 20.2 4.5
135 2 7 1 38.255 76.509 0.402 3.5 12 77.6 64.8
136 7 2 1 38.255 76.509 0.402 3.5 12 59.4 38.0
137 1 5 3 38.64 77.28 0.405 3.44 12 50.9 27.4
138 5 1 3 38.64 77.28 0.405 3.44 12 55.4 32.5
139 1 8 0 38.679 77.357 0.406 3.44 6 6.2 0.2
140 8 1 0 38.679 77.357 0.406 3.44 6 0.8 0.0
141 0 0 4 39.133 78.265 0.41 3.37 2 111.3 21.4
142 5 5 0 39.305 78.611 0.411 3.35 6 94.8 46.1
143 1 0 4 39.445 78.891 0.412 3.33 12 36.1 13.3
144 1 7 2 39.497 78.993 0.413 3.32 12 18.7 3.6
145 7 1 2 39.497 78.993 0.413 3.32 12 9.4 0.9
146 4 6 0 39.618 79.236 0.414 3.3 6 19.0 1.8
147 6 4 0 39.618 79.236 0.414 3.3 6 30.4 4.7
148 1 1 4 40.069 80.138 0.418 3.25 12 22.9 5.2
149 1 8 1 40.133 80.265 0.418 3.24 12 31.0 9.6
150 8 1 1 40.133 80.265 0.418 3.24 12 47.5 22.4
151 6 0 3 40.202 80.405 0.419 3.23 12 2.0 0.0
152 2 0 4 40.38 80.76 0.421 3.21 12 22.9 5.2
153 3 4 3 40.513 81.026 0.422 3.19 12 27.6 7.5
154 4 3 3 40.513 81.026 0.422 3.19 12 28.6 8.0
155 3 7 0 40.551 81.102 0.422 3.19 6 8.5 0.4
156 7 3 0 40.551 81.102 0.422 3.19 6 2.0 0.0
157 4 5 2 40.741 81.482 0.424 3.17 12 13.0 1.6
158 5 4 2 40.741 81.482 0.424 3.17 12 26.1 6.6
159 5 5 1 40.754 81.507 0.424 3.17 12 2.0 0.0
160 4 6 1 41.063 82.127 0.426 3.13 12 17.5 2.9
161 6 4 1 41.063 82.127 0.426 3.13 12 27.4 7.2
162 2 5 3 41.133 82.265 0.427 3.12 12 13.6 1.8
163 5 2 3 41.133 82.265 0.427 3.12 12 16.6 2.7
164 9 0 0 41.171 82.341 0.427 3.12 6 5.0 0.1
165 1 2 4 41.309 82.618 0.428 3.11 12 13.6 1.8
166 2 1 4 41.309 82.618 0.428 3.11 12 34.7 11.5
167 3 6 2 41.36 82.72 0.429 3.1 12 44.0 18.4
168 6 3 2 41.36 82.72 0.429 3.1 12 48.3 22.2
169 8 0 2 41.669 83.337 0.432 3.07 12 45.4 19.4
170 3 0 4 41.927 83.853 0.434 3.05 12 16.8 2.6
171 3 7 1 41.99 83.98 0.434 3.04 12 23.7 5.3
172 7 3 1 41.99 83.98 0.434 3.04 12 24.3 5.5
173 2 8 0 42.097 84.194 0.435 3.03 6 35.1 5.7
174 8 2 0 42.097 84.194 0.435 3.03 6 27.1 3.4
175 1 6 3 42.367 84.734 0.437 3.01 12 20.9 4.0
176 6 1 3 42.367 84.734 0.437 3.01 12 9.7 0.9
177 2 7 2 42.593 85.186 0.439 2.99 12 57.2 30.0
178 7 2 2 42.593 85.186 0.439 2.99 12 39.9 14.6
179 9 0 1 42.606 85.211 0.439 2.99 12 25.2 5.8
180 2 2 4 42.85 85.7 0.441 2.97 12 37.9 13.1
181 1 3 4 43.157 86.315 0.444 2.94 12 31.0 8.7
182 3 1 4 43.157 86.315 0.444 2.94 12 22.4 4.5
183 2 8 1 43.527 87.055 0.447 2.92 12 6.6 0.4
184 8 2 1 43.527 87.055 0.447 2.92 12 30.5 8.3
185 4 4 3 43.903 87.806 0.45 2.89 12 11.9 1.3
186 4 0 4 44.078 88.156 0.452 2.88 12 49.5 21.7
187 3 5 3 44.21 88.419 0.453 2.87 12 14.6 1.9
188 5 3 3 44.21 88.419 0.453 2.87 12 16.9 2.5
189 7 0 3 44.21 88.419 0.453 2.87 12 5.1 0.2
190 1 9 0 44.247 88.495 0.453 2.87 6 12.3 0.7
191 5 6 0 44.247 88.495 0.453 2.87 6 27.0 3.2
192 6 5 0 44.247 88.495 0.453 2.87 6 28.1 3.5
193 9 1 0 44.247 88.495 0.453 2.87 6 18.4 1.5
194 1 8 2 44.435 88.87 0.454 2.86 12 26.2 6.0
195 8 1 2 44.435 88.87 0.454 2.86 12 36.8 11.9
196 4 7 0 44.861 89.721 0.458 2.84 6 3.4 0.0
197 7 4 0 44.861 89.721 0.458 2.84 6 18.5 1.5
198 2 3 4 44.998 89.996 0.459 2.83 12 50.9 22.5
199 3 2 4 44.998 89.996 0.459 2.83 12 32.5 9.2
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 0 0 4.195 8.389 10.53087 10.8 1.1 1.1 5.6
2 1 1 0 7.278 14.557 6.08 194.4 19.4 19.6 5.6
3 2 0 0 8.412 16.824 5.26543 13.1 1.3 1.3 5.6
4 1 0 1 10.015 20.03 4.4292 207.3 20.7 20.8 5.6
5 2 1 0 11.158 22.317 3.98029 53.2 5.3 5.3 5.6
6 1 1 1 11.674 23.349 3.8067 15.3 1.5 1.5 5.6
7 2 0 1 12.425 24.85 3.57998 454.0 45.3 45.4 5.6
8 3 0 0 12.676 25.352 3.51029 261.8 26.1 26.2 5.6
9 1 2 1 14.459 28.918 3.08493 1002.1 100.0 100.0 5.6
10 2 2 0 14.678 29.355 3.04 343.9 34.3 34.3 5.6
11 3 0 1 15.68 31.361 2.85004 78.3 7.8 7.8 5.6
12 4 0 0 17.012 34.025 2.63272 333.8 33.3 33.2 5.7
13 3 1 1 17.898 35.796 2.50643 138.3 13.8 13.7 5.7
14 0 0 2 18.395 36.789 2.441 80.7 8.1 8.0 5.7
15 1 0 2 18.9 37.801 2.37795 16.7 1.7 1.7 5.7
16 4 0 1 19.415 38.83 2.31725 239.7 23.9 23.7 5.7
17 4 1 0 19.584 39.168 2.29802 18.9 1.9 1.9 5.7
18 1 1 2 19.879 39.759 2.26525 200.3 20.0 19.8 5.7
19 2 0 2 20.354 40.708 2.2146 29.2 2.9 2.9 5.7
20 2 3 1 20.839 41.677 2.16532 435.6 43.5 43.0 5.7
21 5 0 0 21.452 42.904 2.10617 10.9 1.1 1.1 5.7
22 1 2 2 21.726 43.453 2.08086 183.7 18.3 18.1 5.7
23 3 0 2 22.604 45.207 2.00408 70.2 7.0 6.9 5.7
24 2 4 0 22.771 45.542 1.99015 14.6 1.5 1.4 5.7
25 5 0 1 23.472 46.945 1.93388 89.3 8.9 8.8 5.7
26 2 2 2 23.872 47.744 1.90335 43.1 4.3 4.2 5.7
27 3 1 2 24.284 48.567 1.873 24.2 2.4 2.4 5.7
28 4 2 1 24.707 49.413 1.8429 89.2 8.9 8.7 5.7
29 4 0 2 25.488 50.977 1.78999 217.6 21.7 21.2 5.8
30 1 5 1 25.897 51.793 1.76367 219.1 21.9 21.4 5.8
31 6 0 0 26.032 52.064 1.75514 15.0 1.5 1.5 5.8
32 3 4 0 26.418 52.837 1.73126 15.3 1.5 1.5 5.8
33 2 3 2 26.653 53.306 1.71712 160.9 16.1 15.7 5.8
34 1 4 2 27.41 54.821 1.67321 14.5 1.4 1.4 5.8
35 6 0 1 27.799 55.598 1.65165 36.8 3.7 3.6 5.8
36 3 4 1 28.169 56.338 1.6317 55.0 5.5 5.3 5.8
37 6 1 0 28.662 57.324 1.60594 37.6 3.8 3.6 5.8
38 5 2 1 28.899 57.799 1.59389 140.1 14.0 13.5 5.8
39 3 3 2 29.604 59.207 1.55928 84.0 8.4 8.1 5.8
40 4 2 2 29.959 59.918 1.54247 42.2 4.2 4.1 5.8
41 1 6 1 30.327 60.653 1.52552 67.0 6.7 6.5 5.8
42 4 4 0 30.448 60.897 1.52 255.3 25.5 24.6 5.8
43 1 2 3 30.755 61.51 1.5063 173.3 17.3 16.7 5.8
44 3 5 0 30.798 61.596 1.50441 12.3 1.2 1.2 5.8
45 1 5 2 31.011 62.022 1.4951 42.7 4.3 4.1 5.8
46 2 6 0 31.834 63.667 1.46037 10.5 1.0 1.0 5.9
47 5 3 1 32.396 64.793 1.4377 48.7 4.9 4.7 5.9
48 3 1 3 32.81 65.619 1.42157 27.5 2.7 2.6 5.9
49 3 4 2 33.057 66.113 1.41215 23.3 2.3 2.2 5.9
50 2 6 1 33.405 66.809 1.39911 22.2 2.2 2.1 5.9
51 7 1 0 33.52 67.041 1.39485 69.9 7.0 6.7 5.9
52 5 2 2 33.724 67.447 1.38742 82.1 8.2 7.8 5.9
53 4 0 3 33.812 67.623 1.38424 229.5 22.9 21.9 5.9
54 2 3 3 34.799 69.599 1.3497 58.9 5.9 5.6 5.9
55 1 6 2 35.039 70.079 1.34163 52.8 5.3 5.0 5.9
56 8 0 0 35.814 71.629 1.31636 33.2 3.3 3.1 5.9
57 4 5 1 36.347 72.693 1.29968 12.0 1.2 1.1 6.0
58 4 4 2 36.654 73.308 1.29029 136.1 13.6 12.8 6.0
59 5 0 3 36.739 73.478 1.28773 26.2 2.6 2.5 6.0
60 6 3 1 36.987 73.973 1.28033 74.2 7.4 7.0 6.0
61 8 0 1 37.305 74.61 1.27097 67.3 6.7 6.3 6.0
62 2 7 1 38.255 76.509 1.24408 102.8 10.3 9.6 6.0
63 5 1 3 38.64 77.28 1.23358 59.9 6.0 5.6 6.0
64 0 0 4 39.133 78.265 1.2205 21.4 2.1 2.0 6.0
65 5 5 0 39.305 78.611 1.216 46.1 4.6 4.3 6.0
66 1 0 4 39.445 78.891 1.21238 13.3 1.3 1.2 6.0
67 8 1 1 40.133 80.265 1.19505 32.0 3.2 3.0 6.0
68 4 3 3 40.513 81.026 1.18574 15.5 1.5 1.4 6.1
69 6 4 1 41.063 82.127 1.17261 10.1 1.0 0.9 6.1
70 2 1 4 41.309 82.618 1.16687 13.2 1.3 1.2 6.1
71 6 3 2 41.36 82.72 1.1657 40.6 4.1 3.8 6.1
72 8 0 2 41.669 83.337 1.15862 19.4 1.9 1.8 6.1
73 7 3 1 41.99 83.98 1.15139 10.8 1.1 1.0 6.1
74 2 7 2 42.593 85.186 1.13814 50.4 5.0 4.6 6.1
75 2 2 4 42.85 85.7 1.13263 13.1 1.3 1.2 6.1
76 1 3 4 43.157 86.315 1.12613 13.2 1.3 1.2 6.1
77 4 0 4 44.078 88.156 1.1073 21.7 2.2 2.0 6.2
78 8 1 2 44.435 88.87 1.10024 17.9 1.8 1.6 6.2
79 2 3 4 44.998 89.996 1.08938 31.7 3.2 2.9 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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