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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AESCHYNITE_CE
1, t-aeschynite, s-aeschynite
Ce(Nb,Ti)(2)O(6)
Orthorhombic P nma Z = 4
Pnma
21 .4 .1996
Ref.Str.:
Zabin A.G., Aleksandrov U.B., Kazakova M.E., Feklicev U.G. (1962)
* Dokl. Akad. Nauk SSSR, 143, 686-689
Ref.Composition & Lattice:
Povarennih A.S. (1965)
* Kristallohim. klassif. miner. vidov (in Russia)
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.08 alpha = 90.0
b = 7.56 beta = 90.0
c = 5.37 gamma = 90.0
Unit cell volume (cub. angs.) = 449.82
Molar volume ( cub.cm/mol.) = 67.74
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.458 0.25 0.042 0.0 Ce = 1.00
2 0.144 0.008 0.04 0.0 Nb = 0.5 , Ti = 0.5
3 0.21 0.567 0.378 0.0 O = 1.00
4 0.477 0.538 0.264 0.0 O = 1.00
5 0.105 0.25 0.167 0.0 O = 1.00
6 0.355 0.25 0.375 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.458 0.25 0.042
2 2 0.144 0.008 0.04
3 3 0.21 0.567 0.378
4 4 0.477 0.538 0.264
5 5 0.105 0.25 0.167
6 6 0.355 0.25 0.375
7 1 0.042 0.75 0.542
8 2 0.356 0.992 0.54
9 3 0.29 0.433 0.878
10 4 0.023 0.462 0.764
11 5 0.395 0.75 0.667
12 6 0.145 0.75 0.875
13 2 0.356 0.508 0.54
14 3 0.29 0.067 0.878
15 4 0.023 0.038 0.764
16 2 0.144 0.492 0.04
17 3 0.21 0.933 0.378
18 4 0.477 0.962 0.264
19 1 0.958 0.25 0.458
20 2 0.644 0.008 0.46
21 3 0.71 0.567 0.122
22 4 0.977 0.538 0.236
23 5 0.605 0.25 0.333
24 6 0.855 0.25 0.125
25 1 0.542 0.75 0.958
26 2 0.856 0.992 0.96
27 3 0.79 0.433 0.622
28 4 0.523 0.462 0.736
29 5 0.895 0.75 0.833
30 6 0.645 0.75 0.625
31 2 0.856 0.508 0.96
32 3 0.79 0.067 0.622
33 4 0.523 0.038 0.736
34 2 0.644 0.492 0.46
35 3 0.71 0.933 0.122
36 4 0.977 0.962 0.236
X-ray density (g/cm cub.) = 5.56
MU (1/cm) = 1101.271 Mass attenuation coefficient (cm**2/g) = 197.931
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ce 2.856 8
2.4912 4
2.1213 6
2.4808 3
2.4808 3
2.4912 4
2.2572 5
2.4057 4
2.4057 4
2 Nb ,Ti 2.568 6
1.9997 5
2.1423 6
1.8901 3
2.0114 4
2.0373 3
2.157 4
3 O 3.264 11
3.029 4
2.8949 5
2.8853 6
3.0035 3
3.0035 3
3.0364 4
2.9196 5
3.0912 6
3.1191 6
2.767 3
2.7008 4
4 O 3.264 10
3.029 3
2.6312 6
3.0364 3
2.8421 5
3.2054 4
2.7008 3
2.6247 5
2.6485 4
2.9375 4
3.1292 6
5 O 3.264 10
2.8949 3
2.9867 6
2.9196 3
2.8421 4
2.9196 3
2.8421 4
2.8949 3
2.6247 4
2.7792 6
2.6247 4
6 O 3.264 12
2.8853 3
2.6312 4
2.9867 5
3.1191 3
3.0912 3
3.1191 3
3.0912 3
2.8853 3
2.6312 4
2.7792 5
3.1292 4
3.1292 4
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 2 0 0 7.992 15.985 0.09 100.51 2 128.6 1642.5
2 1 0 1 9.172 18.344 0.103 75.78 4 34.6 179.4
3 2 1 0 9.926 19.852 0.112 64.39 4 97.4 1208.1
4 0 1 1 10.134 20.267 0.114 61.69 4 70.1 599.6
5 1 1 1 10.905 21.81 0.123 52.98 8 67.1 943.7
6 2 0 1 11.523 23.047 0.13 47.23 4 33.9 107.0
7 0 2 0 11.758 23.516 0.132 45.28 2 50.8 115.4
8 2 1 1 12.959 25.918 0.146 36.91 8 44.7 291.6
9 2 2 0 14.282 28.564 0.16 30.04 4 196.8 2300.2
10 3 0 1 14.663 29.325 0.164 28.4 4 299.7 5041.9
11 1 2 1 14.994 29.988 0.168 27.07 8 271.4 7883.4
12 3 1 1 15.835 31.669 0.177 24.07 8 123.9 1460.8
13 4 0 0 16.146 32.291 0.181 23.08 2 64.0 93.4
14 2 2 1 16.581 33.161 0.185 21.79 8 66.3 378.9
15 0 0 2 16.671 33.343 0.186 21.54 2 272.6 1582.0
16 1 0 2 17.169 34.337 0.192 20.2 4 45.6 82.9
17 4 1 0 17.227 34.454 0.192 20.05 4 115.7 530.8
18 1 1 2 18.196 36.393 0.203 17.79 8 50.8 181.7
19 4 0 1 18.234 36.468 0.203 17.71 4 95.7 320.5
20 2 0 2 18.59 37.181 0.207 16.97 4 44.7 67.2
21 3 2 1 18.963 37.926 0.211 16.24 8 12.5 10.1
22 4 1 1 19.212 38.424 0.214 15.78 8 25.1 39.3
23 2 1 2 19.553 39.107 0.217 15.18 8 80.6 389.8
24 2 3 0 19.621 39.243 0.218 15.06 4 102.4 312.2
25 0 3 1 19.734 39.468 0.219 14.87 4 127.8 480.3
26 1 3 1 20.165 40.331 0.224 14.17 8 12.1 8.2
27 4 2 0 20.167 40.333 0.224 14.17 4 165.0 762.4
28 0 2 2 20.603 41.206 0.228 13.51 4 10.3 2.8
29 3 0 2 20.774 41.548 0.23 13.26 4 132.6 460.8
30 1 2 2 21.02 42.04 0.233 12.92 8 24.9 31.7
31 2 3 1 21.417 42.834 0.237 12.39 8 42.0 86.5
32 3 1 2 21.656 43.311 0.24 12.08 8 101.0 487.6
33 4 2 1 21.926 43.851 0.242 11.75 8 32.7 49.8
34 5 0 1 22.088 44.176 0.244 11.56 4 108.8 270.6
35 2 2 2 22.232 44.465 0.246 11.39 8 191.6 1653.9
36 5 1 1 22.929 45.858 0.253 10.62 8 160.2 1077.9
37 3 3 1 23.383 46.765 0.258 10.16 8 122.2 599.8
38 4 0 2 23.549 47.098 0.259 10.0 4 89.6 158.8
39 0 4 0 24.051 48.103 0.265 9.53 2 385.1 1397.5
40 3 2 2 24.145 48.291 0.266 9.45 8 14.7 8.1
41 4 1 2 24.351 48.702 0.268 9.27 8 132.2 640.6
42 4 3 0 24.408 48.816 0.268 9.22 4 151.9 420.6
43 6 0 0 24.653 49.306 0.271 9.01 2 132.2 155.7
44 1 3 2 25.146 50.293 0.276 8.61 8 65.6 146.4
45 5 2 1 25.322 50.643 0.278 8.48 8 3.6 0.4
46 6 1 0 25.428 50.857 0.279 8.4 4 171.6 488.8
47 2 4 0 25.507 51.014 0.28 8.34 4 119.3 234.8
48 1 0 3 25.843 51.686 0.283 8.1 4 54.6 47.7
49 4 3 1 25.939 51.879 0.284 8.03 8 33.0 34.6
50 1 4 1 25.952 51.904 0.284 8.02 8 29.7 28.0
51 6 0 1 26.174 52.347 0.286 7.86 4 76.3 90.5
52 2 3 2 26.21 52.42 0.287 7.84 8 90.4 253.5
53 0 1 3 26.246 52.491 0.287 7.81 4 125.6 243.8
54 1 1 3 26.593 53.186 0.291 7.58 8 22.9 15.7
55 4 2 2 26.648 53.295 0.291 7.55 8 226.4 1530.5
56 5 0 2 26.788 53.577 0.293 7.46 4 3.4 0.2
57 2 0 3 26.887 53.774 0.294 7.4 4 64.9 61.6
58 6 1 1 26.918 53.835 0.294 7.38 8 5.5 0.9
59 2 4 1 26.993 53.986 0.295 7.33 8 14.8 6.4
60 5 1 2 27.521 55.041 0.3 7.02 8 24.7 16.9
61 2 1 3 27.617 55.235 0.301 6.96 8 105.2 304.7
62 6 2 0 27.661 55.321 0.301 6.93 4 126.3 218.7
63 3 3 2 27.919 55.838 0.304 6.79 8 38.7 40.2
64 3 0 3 28.568 57.136 0.31 6.45 4 186.3 442.4
65 3 4 1 28.67 57.34 0.311 6.39 8 254.3 1634.9
66 1 2 3 28.763 57.525 0.312 6.35 8 189.1 897.1
67 5 3 1 28.986 57.972 0.315 6.24 8 164.1 664.2
68 6 2 1 29.071 58.142 0.315 6.2 8 4.1 0.4
69 3 1 3 29.271 58.541 0.317 6.1 8 72.0 125.2
70 4 4 0 29.563 59.127 0.32 5.97 4 79.2 74.0
71 5 2 2 29.645 59.29 0.321 5.93 8 169.3 672.2
72 2 2 3 29.737 59.474 0.322 5.89 8 183.1 780.3
73 0 4 2 29.894 59.788 0.324 5.82 4 237.1 647.0
74 4 3 2 30.202 60.404 0.327 5.69 8 94.5 200.7
75 1 4 2 30.214 60.427 0.327 5.68 8 76.4 131.1
76 6 0 2 30.414 60.829 0.329 5.6 4 74.3 61.1
77 7 0 1 30.487 60.974 0.329 5.57 4 222.3 543.9
78 4 0 3 30.821 61.642 0.333 5.44 4 136.8 201.2
79 4 4 1 30.918 61.836 0.334 5.4 8 46.4 45.9
80 6 1 2 31.091 62.182 0.335 5.33 8 130.4 358.5
81 6 3 0 31.14 62.279 0.336 5.31 4 113.7 135.8
82 2 4 2 31.16 62.32 0.336 5.31 8 58.6 72.1
83 7 1 1 31.163 62.325 0.336 5.31 8 128.4 346.1
84 3 2 3 31.319 62.639 0.337 5.25 8 61.1 77.5
85 4 1 3 31.493 62.985 0.339 5.18 8 37.6 28.9
86 0 3 3 31.859 63.719 0.343 5.05 4 98.5 97.0
87 2 5 0 31.876 63.751 0.343 5.05 4 39.5 15.6
88 0 5 1 31.955 63.91 0.344 5.02 4 25.5 6.4
89 1 3 3 32.167 64.335 0.346 4.95 8 30.6 18.3
90 1 5 1 32.263 64.525 0.346 4.92 8 78.5 120.0
91 6 3 1 32.456 64.912 0.348 4.85 8 5.1 0.5
92 3 4 2 32.703 65.405 0.351 4.78 8 82.3 128.0
93 5 3 2 32.995 65.991 0.353 4.69 8 52.7 51.5
94 6 2 2 33.074 66.148 0.354 4.66 8 66.8 82.2
95 2 3 3 33.082 66.164 0.354 4.66 8 53.4 52.5
96 7 2 1 33.143 66.287 0.355 4.64 8 112.4 231.8
97 2 5 1 33.176 66.352 0.355 4.63 8 19.9 7.3
98 4 2 3 33.463 66.925 0.358 4.55 8 36.7 24.3
99 5 0 3 33.585 67.17 0.359 4.51 4 17.6 2.8
100 5 4 1 33.678 67.357 0.36 4.49 8 65.1 75.2
101 8 0 0 33.791 67.581 0.361 4.46 2 28.0 3.5
102 5 1 3 34.228 68.455 0.365 4.34 8 78.4 105.5
103 7 0 2 34.396 68.792 0.367 4.29 4 48.8 20.2
104 8 1 0 34.431 68.862 0.367 4.29 4 119.6 121.2
105 3 3 3 34.579 69.159 0.368 4.25 8 43.4 31.6
106 3 5 1 34.671 69.342 0.369 4.23 8 100.6 169.1
107 4 4 2 34.801 69.602 0.37 4.19 8 59.8 59.4
108 0 0 4 35.013 70.026 0.372 4.14 2 124.6 63.5
109 7 1 2 35.031 70.062 0.373 4.14 8 23.3 8.9
110 8 0 1 35.055 70.109 0.373 4.13 4 59.4 28.8
111 1 0 4 35.307 70.615 0.375 4.07 4 119.9 115.8
112 4 5 0 35.479 70.957 0.377 4.03 4 90.6 65.4
113 6 4 0 35.674 71.348 0.379 3.99 4 101.2 80.8
114 8 1 1 35.685 71.37 0.379 3.99 8 5.6 0.5
115 1 1 4 35.935 71.871 0.381 3.93 8 116.9 212.6
116 1 5 2 36.071 72.142 0.382 3.9 8 37.3 21.4
117 5 2 3 36.123 72.245 0.383 3.89 8 3.6 0.2
118 2 0 4 36.183 72.367 0.383 3.88 4 86.6 57.5
119 6 3 2 36.255 72.509 0.384 3.87 8 84.4 108.9
120 7 3 1 36.321 72.641 0.384 3.85 8 112.8 193.8
121 8 2 0 36.322 72.643 0.384 3.85 4 140.1 149.4
122 4 3 3 36.627 73.254 0.387 3.79 8 48.7 35.5
123 1 4 3 36.638 73.275 0.387 3.79 8 48.2 34.8
124 4 5 1 36.717 73.434 0.388 3.77 8 35.7 19.0
125 2 1 4 36.805 73.611 0.389 3.76 8 16.9 4.2
126 6 0 3 36.82 73.64 0.389 3.75 4 125.1 116.2
127 7 2 2 36.908 73.817 0.39 3.74 8 56.1 46.4
128 6 4 1 36.91 73.819 0.39 3.74 8 75.6 84.5
129 2 5 2 36.94 73.879 0.39 3.73 8 41.4 25.3
130 5 4 2 37.419 74.838 0.394 3.64 8 9.4 1.3
131 6 1 3 37.438 74.876 0.395 3.64 8 12.2 2.1
132 2 4 3 37.501 75.003 0.395 3.63 8 38.5 21.2
133 0 2 4 37.508 75.017 0.395 3.63 4 32.2 7.4
134 8 2 1 37.549 75.098 0.396 3.62 8 44.3 28.1
135 3 0 4 37.625 75.251 0.396 3.61 4 126.7 114.5
136 0 6 0 37.686 75.372 0.397 3.6 2 40.2 5.7
137 1 2 4 37.795 75.589 0.398 3.58 8 69.1 67.5
138 3 1 4 38.239 76.477 0.402 3.51 8 80.7 90.2
139 3 5 2 38.371 76.742 0.403 3.48 8 95.1 124.5
140 2 2 4 38.649 77.299 0.405 3.44 8 41.7 23.7
141 8 0 2 38.74 77.481 0.406 3.43 4 1.4 0.0
142 2 6 0 38.825 77.65 0.407 3.42 4 124.3 104.3
143 3 4 3 38.926 77.852 0.408 3.4 8 144.2 279.5
144 1 6 1 39.181 78.362 0.41 3.36 8 194.5 503.3
145 5 3 3 39.199 78.397 0.41 3.36 8 104.7 145.6
146 6 2 3 39.272 78.544 0.411 3.35 8 43.3 24.8
147 5 5 1 39.286 78.572 0.411 3.35 8 102.7 139.6
148 8 1 2 39.348 78.696 0.412 3.34 8 91.4 110.3
149 8 3 0 39.392 78.784 0.412 3.33 4 183.3 221.5
150 4 0 4 39.613 79.226 0.414 3.3 4 12.4 1.0
151 9 0 1 39.934 79.869 0.417 3.26 4 42.7 11.7
152 7 3 2 39.964 79.927 0.417 3.26 8 41.9 22.6
153 2 6 1 40.027 80.054 0.417 3.25 8 39.4 20.0
154 3 2 4 40.061 80.123 0.418 3.25 8 19.5 4.9
155 4 1 4 40.217 80.435 0.419 3.23 8 70.6 63.6
156 4 5 2 40.348 80.696 0.42 3.21 8 124.3 196.3
157 7 0 3 40.512 81.025 0.422 3.19 4 98.1 60.8
158 6 4 2 40.535 81.071 0.422 3.19 8 70.5 62.8
159 9 1 1 40.538 81.075 0.422 3.19 8 79.0 78.8
160 8 3 1 40.589 81.178 0.422 3.18 8 10.9 1.5
161 7 4 1 40.599 81.199 0.422 3.18 8 168.6 357.9
162 1 3 4 40.83 81.659 0.424 3.16 8 131.8 216.7
163 4 4 3 40.896 81.791 0.425 3.15 8 108.5 146.7
164 7 1 3 41.114 82.227 0.427 3.13 8 96.4 114.9
165 8 2 2 41.158 82.315 0.427 3.12 8 119.4 175.9
166 6 5 0 41.18 82.36 0.427 3.12 4 156.4 150.9
167 3 6 1 41.427 82.854 0.429 3.09 8 25.7 8.1
168 2 3 4 41.668 83.335 0.432 3.07 8 50.7 31.2
169 0 5 3 41.826 83.652 0.433 3.05 4 126.6 96.8
170 4 2 4 42.019 84.037 0.434 3.04 8 100.8 121.9
171 1 5 3 42.104 84.208 0.435 3.03 8 28.4 9.7
172 5 0 4 42.132 84.265 0.435 3.03 4 2.4 0.0
173 4 6 0 42.191 84.383 0.436 3.02 4 162.7 158.1
174 6 3 3 42.28 84.56 0.437 3.01 8 14.8 2.6
175 9 2 1 42.336 84.672 0.437 3.01 8 134.5 215.1
176 6 5 1 42.366 84.733 0.437 3.01 8 8.7 0.9
177 0 6 2 42.477 84.955 0.438 3.0 4 3.9 0.1
178 5 1 4 42.729 85.459 0.44 2.98 8 16.8 3.3
179 1 6 2 42.755 85.511 0.441 2.97 8 51.4 31.0
180 5 5 2 42.859 85.717 0.442 2.97 8 14.5 2.5
181 7 2 3 42.908 85.816 0.442 2.96 8 65.9 50.8
182 2 5 3 42.938 85.876 0.442 2.96 8 101.0 119.3
183 3 3 4 43.058 86.116 0.443 2.95 8 61.0 43.4
184 4 6 1 43.374 86.748 0.446 2.93 8 14.5 2.4
185 5 4 3 43.401 86.802 0.446 2.92 8 31.5 11.4
186 9 0 2 43.497 86.994 0.447 2.92 4 100.8 58.6
187 2 6 2 43.588 87.176 0.448 2.91 8 119.7 165.0
188 8 4 0 43.591 87.182 0.448 2.91 4 27.6 4.4
189 10 0 0 44.043 88.086 0.451 2.88 2 209.7 125.2
190 9 1 2 44.092 88.184 0.452 2.88 8 55.6 35.2
191 8 3 2 44.143 88.286 0.452 2.88 8 89.3 90.6
192 7 4 2 44.153 88.306 0.452 2.87 8 51.5 30.2
193 3 5 3 44.324 88.649 0.454 2.86 8 71.5 57.9
194 5 2 4 44.516 89.033 0.455 2.85 8 208.3 489.6
195 10 1 0 44.638 89.276 0.456 2.85 4 57.1 18.3
196 8 0 3 44.684 89.369 0.456 2.84 4 4.8 0.1
197 0 4 4 44.731 89.462 0.457 2.84 4 126.5 90.0
198 8 4 1 44.77 89.54 0.457 2.84 8 25.5 7.3
199 3 6 2 44.973 89.946 0.459 2.83 8 36.3 14.7
200 4 3 4 44.998 89.996 0.459 2.83 8 45.6 23.3
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 2 0 0 7.992 15.985 5.54 1642.5 20.8 21.0 5.6
2 1 0 1 9.172 18.344 4.83237 179.4 2.3 2.3 5.6
3 2 1 0 9.926 19.852 4.46861 1208.1 15.3 15.4 5.6
4 0 1 1 10.134 20.267 4.37795 599.6 7.6 7.7 5.6
5 1 1 1 10.905 21.81 4.07164 943.7 12.0 12.0 5.6
6 2 0 1 11.523 23.047 3.85586 107.0 1.4 1.4 5.6
7 0 2 0 11.758 23.516 3.78 115.4 1.5 1.5 5.6
8 2 1 1 12.959 25.918 3.43489 291.6 3.7 3.7 5.6
9 2 2 0 14.282 28.564 3.12242 2300.2 29.2 29.2 5.6
10 3 0 1 14.663 29.325 3.04308 5041.9 64.0 64.0 5.6
11 1 2 1 14.994 29.988 2.97732 7883.4 100.0 100.0 5.6
12 3 1 1 15.835 31.669 2.82296 1460.8 18.5 18.5 5.6
13 4 0 0 16.146 32.291 2.77 93.4 1.2 1.2 5.6
14 2 2 1 16.581 33.161 2.69929 378.9 4.8 4.8 5.6
15 0 0 2 16.671 33.343 2.685 1582.0 20.1 20.0 5.7
16 1 0 2 17.169 34.337 2.60947 82.9 1.1 1.0 5.7
17 4 1 0 17.227 34.454 2.60091 530.8 6.7 6.7 5.7
18 1 1 2 18.196 36.393 2.46667 181.7 2.3 2.3 5.7
19 4 0 1 18.234 36.468 2.46178 320.5 4.1 4.0 5.7
20 2 1 2 19.553 39.107 2.3015 389.8 4.9 4.9 5.7
21 2 3 0 19.621 39.243 2.29384 312.2 4.0 3.9 5.7
22 0 3 1 19.734 39.468 2.2813 480.3 6.1 6.0 5.7
23 4 2 0 20.167 40.333 2.23431 770.6 9.8 9.7 5.7
24 3 0 2 20.774 41.548 2.17175 460.8 5.8 5.8 5.7
25 2 3 1 21.417 42.834 2.10945 86.5 1.1 1.1 5.7
26 3 1 2 21.656 43.311 2.08733 487.6 6.2 6.1 5.7
27 5 0 1 22.088 44.176 2.04844 270.6 3.4 3.4 5.7
28 2 2 2 22.232 44.465 2.03582 1653.9 21.0 20.7 5.7
29 5 1 1 22.929 45.858 1.97714 1077.9 13.7 13.5 5.7
30 3 3 1 23.383 46.765 1.94089 599.8 7.6 7.5 5.7
31 4 0 2 23.549 47.098 1.92793 158.8 2.0 2.0 5.7
32 0 4 0 24.051 48.103 1.89 1397.5 17.7 17.4 5.7
33 4 1 2 24.351 48.702 1.86814 640.6 8.1 8.0 5.7
34 4 3 0 24.408 48.816 1.86404 420.6 5.3 5.2 5.7
35 6 0 0 24.653 49.306 1.84667 155.7 2.0 1.9 5.7
36 1 3 2 25.146 50.293 1.81272 146.4 1.9 1.8 5.8
37 6 1 0 25.428 50.857 1.79392 488.8 6.2 6.1 5.8
38 2 4 0 25.507 51.014 1.78877 234.8 3.0 2.9 5.8
39 6 0 1 26.174 52.347 1.74629 90.5 1.1 1.1 5.8
40 2 3 2 26.21 52.42 1.74405 253.5 3.2 3.1 5.8
41 0 1 3 26.246 52.491 1.74184 243.8 3.1 3.0 5.8
42 4 2 2 26.648 53.295 1.71745 1530.5 19.4 18.9 5.8
43 2 1 3 27.617 55.235 1.66165 304.7 3.9 3.8 5.8
44 6 2 0 27.661 55.321 1.65925 218.7 2.8 2.7 5.8
45 3 0 3 28.568 57.136 1.61079 442.4 5.6 5.4 5.8
46 3 4 1 28.67 57.34 1.60554 1634.9 20.7 20.1 5.8
47 1 2 3 28.763 57.525 1.6008 897.1 11.4 11.0 5.8
48 5 3 1 28.986 57.972 1.58953 664.2 8.4 8.2 5.8
49 3 1 3 29.271 58.541 1.57542 125.2 1.6 1.5 5.8
50 5 2 2 29.645 59.29 1.55731 672.2 8.5 8.3 5.8
51 2 2 3 29.737 59.474 1.55292 780.3 9.9 9.6 5.8
52 0 4 2 29.894 59.788 1.5455 647.0 8.2 7.9 5.8
53 4 3 2 30.202 60.404 1.53121 331.8 4.2 4.1 5.8
54 7 0 1 30.487 60.974 1.51827 543.9 6.9 6.7 5.8
55 4 0 3 30.821 61.642 1.50341 201.2 2.6 2.5 5.8
56 6 1 2 31.091 62.182 1.49163 358.5 4.5 4.4 5.8
57 7 1 1 31.163 62.325 1.48855 554.0 7.0 6.8 5.8
58 0 3 3 31.859 63.719 1.45932 112.6 1.4 1.4 5.9
59 1 5 1 32.263 64.525 1.44301 120.0 1.5 1.5 5.9
60 3 4 2 32.703 65.405 1.42571 128.0 1.6 1.6 5.9
61 6 2 2 33.074 66.148 1.41148 134.7 1.7 1.6 5.9
62 7 2 1 33.143 66.287 1.40887 231.8 2.9 2.8 5.9
63 5 1 3 34.228 68.455 1.36943 105.5 1.3 1.3 5.9
64 8 1 0 34.431 68.862 1.36233 121.2 1.5 1.5 5.9
65 3 5 1 34.671 69.342 1.35407 169.1 2.1 2.0 5.9
66 1 0 4 35.307 70.615 1.33275 115.8 1.5 1.4 5.9
67 6 4 0 35.674 71.348 1.32084 81.3 1.0 1.0 5.9
68 1 1 4 35.935 71.871 1.31251 212.6 2.7 2.6 5.9
69 6 3 2 36.255 72.509 1.30253 108.9 1.4 1.3 5.9
70 7 3 1 36.321 72.641 1.30048 343.2 4.4 4.1 6.0
71 6 0 3 36.82 73.64 1.28529 120.4 1.5 1.4 6.0
72 6 4 1 36.91 73.819 1.28262 130.9 1.7 1.6 6.0
73 3 0 4 37.625 75.251 1.26173 114.5 1.5 1.4 6.0
74 3 1 4 38.239 76.477 1.24452 90.2 1.1 1.1 6.0
75 3 5 2 38.371 76.742 1.24088 124.5 1.6 1.5 6.0
76 2 6 0 38.825 77.65 1.22862 104.3 1.3 1.2 6.0
77 3 4 3 38.926 77.852 1.22595 279.5 3.5 3.3 6.0
78 1 6 1 39.181 78.362 1.21924 648.9 8.2 7.7 6.0
79 5 5 1 39.286 78.572 1.2165 164.4 2.1 1.9 6.0
80 8 1 2 39.348 78.696 1.21489 110.3 1.4 1.3 6.0
81 8 3 0 39.392 78.784 1.21376 221.5 2.8 2.6 6.0
82 4 5 2 40.348 80.696 1.18975 196.3 2.5 2.3 6.1
83 9 1 1 40.538 81.075 1.18514 202.3 2.6 2.4 6.1
84 7 4 1 40.599 81.199 1.18365 359.4 4.6 4.2 6.1
85 1 3 4 40.83 81.659 1.17813 216.7 2.7 2.6 6.1
86 4 4 3 40.896 81.791 1.17657 146.7 1.9 1.7 6.1
87 7 1 3 41.114 82.227 1.17143 114.9 1.5 1.4 6.1
88 8 2 2 41.158 82.315 1.1704 326.8 4.1 3.8 6.1
89 0 5 3 41.826 83.652 1.15507 96.8 1.2 1.1 6.1
90 4 2 4 42.019 84.037 1.15075 121.9 1.5 1.4 6.1
91 4 6 0 42.191 84.383 1.14692 158.1 2.0 1.8 6.1
92 9 2 1 42.336 84.672 1.14373 216.0 2.7 2.5 6.1
93 2 5 3 42.938 85.876 1.13076 170.1 2.2 2.0 6.1
94 2 6 2 43.588 87.176 1.11721 169.4 2.1 2.0 6.2
95 10 0 0 44.043 88.086 1.108 125.2 1.6 1.5 6.2
96 8 3 2 44.143 88.286 1.106 120.7 1.5 1.4 6.2
97 5 2 4 44.516 89.033 1.09866 489.6 6.2 5.7 6.2
98 0 4 4 44.731 89.462 1.09449 90.0 1.1 1.0 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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