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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AEGIRINE
9, Li-analogue, t-pigeonite, at 100'K
LiFe'''Si(2)O(6)
Monoclinic P 2(1)/c Z = 4
R =0.0235 NR =638
20 .9 .1901
Ref.Str.:
G.J. Redhammer et al. (2001)
* Phys. Chem. Minerals, 28, 337-346
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.622 alpha = 90.0
b = 8.664 beta = 109.95
c = 5.2555 gamma = 90.0
Unit cell volume (cub. angs.) = 411.83
Molar volume ( cub.cm/mol.) = 62.02
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2504 0.009 0.2367 0.0 Li = 1.00
2 0.2502 0.6479 0.2353 0.0 Fe = 1.00
3 0.0478 0.339 0.2776 0.0 Si = 1.00
4 0.5486 0.8387 0.2527 0.0 Si = 1.00
5 0.8673 0.3327 0.1636 0.0 O = 1.00
6 0.3674 0.8347 0.1351 0.0 O = 1.00
7 0.116 0.5086 0.3123 0.0 O = 1.00
8 0.6215 0.0032 0.3537 0.0 O = 1.00
9 0.1085 0.2667 0.5821 0.0 O = 1.00
10 0.605 0.7232 0.512 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2504 0.009 0.2367
2 2 0.2502 0.6479 0.2353
3 3 0.0478 0.339 0.2776
4 4 0.5486 0.8387 0.2527
5 5 0.8673 0.3327 0.1636
6 6 0.3674 0.8347 0.1351
7 7 0.116 0.5086 0.3123
8 8 0.6215 0.0032 0.3537
9 9 0.1085 0.2667 0.5821
10 10 0.605 0.7232 0.512
11 1 0.7496 0.509 0.2633
12 2 0.7498 0.1479 0.2647
13 3 0.9522 0.839 0.2224
14 4 0.4514 0.3387 0.2473
15 5 0.1327 0.8327 0.3364
16 6 0.6326 0.3347 0.3649
17 7 0.884 0.0086 0.1877
18 8 0.3785 0.5032 0.1463
19 9 0.8915 0.7667 0.9179
20 10 0.395 0.2232 0.988
21 1 0.2504 0.491 0.7367
22 2 0.2502 0.8521 0.7353
23 3 0.0478 0.161 0.7776
24 4 0.5486 0.6613 0.7527
25 5 0.8673 0.1673 0.6636
26 6 0.3674 0.6653 0.6351
27 7 0.116 0.9914 0.8123
28 8 0.6215 0.4968 0.8537
29 9 0.1085 0.2333 0.0821
30 10 0.605 0.7768 0.012
31 1 0.7496 0.991 0.7633
32 2 0.7498 0.3521 0.7647
33 3 0.9522 0.661 0.7224
34 4 0.4514 0.1613 0.7473
35 5 0.1327 0.6673 0.8364
36 6 0.6326 0.1653 0.8649
37 7 0.884 0.4914 0.6877
38 8 0.3785 0.9968 0.6463
39 9 0.8915 0.7333 0.4179
40 10 0.395 0.2768 0.488
X-ray density (g/cm cub.) = 3.47
MU (1/cm) = 159.705 Mass attenuation coefficient (cm**2/g) = 46.082
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.448 5
2.0599 6
2.0725 5
2.1684 7
2.3545 9
2.0866 8
2 Fe 2.592 6
2.1386 6
1.909 7
2.1293 5
1.9258 8
2.023 6
2.0209 5
3 Si 2.1 4
1.6335 5
1.5943 7
1.6299 9
1.6263 9
4 Si 2.1 4
1.6394 6
1.5969 8
1.6276 10
1.6282 10
5 O 3.264 11
2.7173 7
2.6585 9
2.8017 6
2.813 7
2.9931 5
2.9931 5
2.7639 8
2.6438 9
2.6923 6
3.0333 7
2.9062 7
6 O 3.264 11
2.7408 8
2.6445 10
2.8017 5
2.874 8
3.0098 6
3.0098 6
2.7879 7
2.628 10
2.6923 5
3.001 8
2.9615 8
7 O 3.264 10
2.7173 5
2.5452 9
2.813 5
2.9405 8
2.7879 6
2.6643 9
3.0333 5
2.9062 5
3.0955 9
3.2251 10
8 O 3.264 10
2.7408 6
2.587 10
2.874 6
2.9405 7
3.0362 10
2.7639 5
2.6274 10
3.001 6
2.9615 6
3.2075 8
9 O 3.264 9
2.6585 5
2.5452 7
2.8773 10
2.6438 5
2.6643 7
2.6436 9
2.6436 9
3.0955 7
2.9634 10
10 O 3.264 10
2.6445 6
2.587 8
3.0362 8
2.8773 9
2.628 6
2.6274 8
2.6685 10
2.6685 10
3.2251 7
2.9634 9
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 5.676 11.351 0.055 201.52 2 0.2 0.0
2 1 1 0 8.219 16.439 0.08 94.91 4 54.9 675.7
3 2 0 0 11.408 22.815 0.111 48.23 2 12.0 8.1
4 1 1 -1 11.683 23.365 0.113 45.89 4 65.0 457.4
5 0 2 0 11.916 23.832 0.115 44.03 2 84.8 373.4
6 0 1 1 12.03 24.06 0.117 43.16 4 2.6 0.7
7 2 1 0 12.892 25.784 0.125 37.32 4 0.8 0.0
8 1 2 0 13.235 26.469 0.128 35.31 4 0.1 0.0
9 2 1 -1 13.951 27.902 0.135 31.57 4 9.2 6.3
10 1 1 1 14.822 29.643 0.143 27.75 4 84.1 462.7
11 1 2 -1 15.673 31.345 0.151 24.61 4 12.1 8.5
12 0 2 1 15.939 31.879 0.154 23.73 4 22.9 29.4
13 2 2 0 16.614 33.228 0.16 21.7 4 18.1 16.7
14 3 0 0 17.259 34.517 0.166 19.97 2 1.4 0.0
15 2 2 -1 17.467 34.935 0.168 19.46 4 162.4 1209.7
16 3 1 -1 17.933 35.866 0.172 18.37 4 11.9 6.1
17 1 2 1 18.187 36.373 0.174 17.81 4 16.8 11.9
18 3 1 0 18.308 36.617 0.176 17.55 4 137.8 785.6
19 1 3 0 18.973 37.946 0.182 16.23 4 55.7 118.7
20 2 1 1 19.093 38.187 0.183 16.0 4 8.3 2.6
21 1 0 -2 19.955 39.91 0.191 14.51 2 9.7 1.6
22 2 0 -2 20.389 40.778 0.195 13.83 2 35.2 20.2
23 1 3 -1 20.814 41.629 0.199 13.21 4 81.1 205.0
24 3 2 -1 20.859 41.717 0.199 13.14 4 5.8 1.1
25 1 1 -2 20.889 41.778 0.199 13.1 4 42.4 55.4
26 0 3 1 21.024 42.048 0.201 12.91 4 23.7 17.2
27 3 2 0 21.19 42.38 0.202 12.69 4 3.7 0.4
28 0 0 2 21.23 42.461 0.202 12.63 2 161.5 388.5
29 2 1 -2 21.307 42.614 0.203 12.53 4 8.2 2.0
30 2 3 0 21.561 43.121 0.205 12.2 4 3.1 0.3
31 2 2 1 21.888 43.776 0.208 11.8 4 107.1 319.1
32 0 1 2 22.12 44.24 0.21 11.52 4 7.5 1.5
33 2 3 -1 22.251 44.502 0.212 11.37 4 25.0 16.7
34 3 0 -2 22.451 44.901 0.213 11.14 2 8.5 1.0
35 1 3 1 22.843 45.686 0.217 10.71 4 20.7 10.8
36 4 1 -1 22.87 45.741 0.217 10.69 4 6.5 1.1
37 4 0 0 23.302 46.604 0.221 10.24 2 10.4 1.3
38 3 1 -2 23.303 46.606 0.221 10.24 4 28.2 19.2
39 1 2 -2 23.508 47.017 0.223 10.04 4 5.3 0.7
40 2 2 -2 23.89 47.78 0.226 9.68 4 30.1 20.7
41 1 0 2 23.993 47.987 0.227 9.59 2 44.3 22.2
42 4 1 0 24.131 48.262 0.229 9.46 4 2.2 0.1
43 3 1 1 24.206 48.413 0.229 9.39 4 8.6 1.6
44 0 4 0 24.391 48.781 0.231 9.23 2 48.0 25.1
45 0 2 2 24.636 49.272 0.233 9.03 4 2.9 0.2
46 1 1 2 24.805 49.61 0.235 8.89 4 95.8 192.2
47 3 3 -1 25.109 50.219 0.237 8.64 4 105.3 226.3
48 1 4 0 25.127 50.255 0.237 8.63 4 2.4 0.1
49 4 2 -1 25.329 50.657 0.239 8.47 4 72.9 106.3
50 3 3 0 25.397 50.794 0.24 8.42 4 5.7 0.7
51 3 2 -2 25.73 51.46 0.243 8.18 4 4.4 0.4
52 4 0 -2 25.832 51.664 0.244 8.1 2 101.9 99.3
53 2 3 1 26.007 52.014 0.245 7.98 4 5.7 0.6
54 4 2 0 26.502 53.003 0.249 7.64 4 11.3 2.3
55 3 2 1 26.572 53.144 0.25 7.6 4 4.0 0.3
56 4 1 -2 26.602 53.205 0.25 7.58 4 21.5 8.2
57 1 4 -1 26.628 53.255 0.251 7.56 4 14.5 3.8
58 0 4 1 26.802 53.603 0.252 7.45 4 45.6 36.5
59 1 2 2 27.133 54.265 0.255 7.25 4 7.9 1.1
60 2 4 0 27.25 54.501 0.256 7.17 4 31.1 16.4
61 1 3 -2 27.443 54.886 0.258 7.06 4 20.0 6.6
62 2 3 -2 27.785 55.57 0.261 6.86 4 7.2 0.8
63 2 4 -1 27.833 55.667 0.261 6.84 4 99.2 158.5
64 2 0 2 27.912 55.823 0.262 6.79 2 81.9 53.8
65 1 4 1 28.338 56.676 0.265 6.56 4 15.4 3.7
66 5 1 -1 28.443 56.886 0.266 6.51 4 75.5 87.6
67 0 3 2 28.457 56.915 0.266 6.5 4 17.6 4.8
68 2 1 2 28.644 57.287 0.268 6.41 4 4.7 0.3
69 4 2 -2 28.828 57.655 0.27 6.31 4 49.1 36.0
70 4 3 -1 29.086 58.172 0.272 6.19 4 19.7 5.7
71 3 3 -2 29.452 58.904 0.275 6.02 4 52.9 39.7
72 5 0 0 29.635 59.27 0.276 5.93 2 0.9 0.0
73 4 1 1 29.92 59.841 0.279 5.81 4 1.7 0.0
74 4 3 0 30.159 60.318 0.281 5.71 4 0.0 0.0
75 3 3 1 30.223 60.447 0.281 5.68 4 27.8 10.4
76 5 0 -2 30.227 60.455 0.281 5.68 2 12.2 1.0
77 3 4 -1 30.309 60.617 0.282 5.64 4 13.6 2.4
78 5 1 0 30.34 60.681 0.282 5.63 4 21.1 5.9
79 3 4 0 30.563 61.125 0.284 5.54 4 1.4 0.0
80 5 2 -1 30.58 61.161 0.284 5.53 4 14.8 2.9
81 1 3 2 30.74 61.481 0.286 5.47 4 4.1 0.2
82 2 2 2 30.772 61.544 0.286 5.46 4 28.4 10.4
83 5 1 -2 30.925 61.849 0.287 5.4 4 18.2 4.2
84 2 4 1 31.104 62.209 0.289 5.33 4 58.6 43.2
85 2 1 -3 31.404 62.808 0.291 5.22 4 7.4 0.7
86 1 5 0 31.707 63.415 0.294 5.11 4 84.0 85.1
87 1 1 -3 31.873 63.746 0.295 5.05 4 23.7 6.7
88 4 2 1 31.997 63.995 0.296 5.01 4 64.1 48.6
89 3 1 -3 32.187 64.374 0.298 4.94 4 0.6 0.0
90 4 3 -2 32.316 64.632 0.299 4.9 4 1.4 0.0
91 1 4 -2 32.393 64.787 0.299 4.88 4 7.0 0.6
92 5 2 0 32.402 64.803 0.3 4.87 4 1.5 0.0
93 2 4 -2 32.703 65.406 0.302 4.78 4 6.9 0.5
94 3 0 2 32.738 65.476 0.302 4.77 2 18.8 2.0
95 5 2 -2 32.965 65.93 0.304 4.7 4 0.3 0.0
96 1 5 -1 33.011 66.021 0.305 4.68 4 0.3 0.0
97 0 5 1 33.163 66.327 0.306 4.64 4 18.4 3.7
98 0 4 2 33.315 66.63 0.307 4.59 4 96.9 101.7
99 3 1 2 33.406 66.812 0.308 4.56 4 101.8 111.6
100 2 2 -3 33.428 66.857 0.308 4.56 4 144.5 224.4
101 2 5 0 33.559 67.117 0.309 4.52 4 0.1 0.0
102 0 1 3 33.567 67.133 0.309 4.52 4 5.5 0.3
103 1 2 -3 33.883 67.766 0.312 4.43 4 23.0 5.5
104 4 4 -1 33.89 67.78 0.312 4.43 4 40.2 16.9
105 5 3 -1 33.964 67.928 0.312 4.41 4 141.5 208.3
106 2 5 -1 34.076 68.151 0.313 4.38 4 10.0 1.0
107 2 3 2 34.145 68.291 0.314 4.36 4 8.2 0.7
108 4 1 -3 34.177 68.353 0.314 4.35 4 4.1 0.2
109 3 2 -3 34.187 68.374 0.314 4.35 4 20.5 4.3
110 3 4 -2 34.227 68.453 0.314 4.34 4 27.4 7.7
111 1 5 1 34.526 69.052 0.317 4.26 4 6.5 0.4
112 6 1 -1 34.586 69.171 0.317 4.25 4 0.4 0.0
113 4 4 0 34.879 69.759 0.32 4.17 4 100.2 98.9
114 3 4 1 34.939 69.878 0.32 4.16 4 13.9 1.9
115 4 3 1 35.309 70.618 0.323 4.07 4 23.4 5.2
116 3 2 2 35.372 70.743 0.324 4.06 4 0.5 0.0
117 1 4 2 35.419 70.838 0.324 4.05 4 9.3 0.8
118 6 0 -2 35.462 70.924 0.324 4.04 2 98.3 46.0
119 0 2 3 35.528 71.056 0.325 4.02 4 12.7 1.5
120 5 3 0 35.694 71.389 0.326 3.99 4 6.8 0.4
121 6 1 -2 36.106 72.211 0.329 3.9 4 4.0 0.1
122 4 2 -3 36.123 72.246 0.33 3.89 4 22.0 4.4
123 5 1 1 36.213 72.427 0.33 3.87 4 55.5 28.2
124 5 3 -2 36.233 72.467 0.33 3.87 4 5.9 0.3
125 3 5 -1 36.307 72.615 0.331 3.86 4 36.2 11.9
126 6 0 0 36.396 72.793 0.332 3.84 2 101.4 46.5
127 1 1 3 36.4 72.799 0.332 3.84 4 65.7 39.0
128 6 2 -1 36.522 73.045 0.333 3.81 4 47.1 20.0
129 3 5 0 36.54 73.079 0.333 3.81 4 79.7 57.1
130 2 3 -3 36.677 73.355 0.334 3.78 4 41.8 15.6
131 4 4 -2 36.893 73.787 0.336 3.74 4 58.6 30.3
132 6 1 0 37.033 74.067 0.337 3.71 4 0.2 0.0
133 2 5 1 37.037 74.073 0.337 3.71 4 0.1 0.0
134 1 3 -3 37.114 74.228 0.337 3.7 4 103.4 93.3
135 5 1 -3 37.282 74.564 0.339 3.67 4 74.6 48.2
136 3 3 -3 37.407 74.814 0.34 3.65 4 53.6 24.7
137 6 2 -2 38.011 76.021 0.344 3.54 4 26.6 5.9
138 5 2 1 38.117 76.233 0.345 3.52 4 7.0 0.4
139 1 5 -2 38.229 76.459 0.346 3.51 4 45.7 17.2
140 0 6 0 38.275 76.549 0.346 3.5 2 149.1 91.8
141 1 2 3 38.299 76.599 0.346 3.5 4 14.6 1.7
142 4 0 2 38.373 76.746 0.347 3.48 2 80.8 26.8
143 5 4 -1 38.453 76.906 0.348 3.47 4 6.8 0.4
144 2 5 -2 38.518 77.036 0.348 3.46 4 3.3 0.1
145 3 3 2 38.551 77.102 0.348 3.46 4 37.0 11.2
146 2 4 2 38.625 77.251 0.349 3.44 4 19.0 2.9
147 0 3 3 38.702 77.405 0.35 3.43 4 12.2 1.2
148 1 6 0 38.85 77.699 0.351 3.41 4 3.1 0.1
149 6 2 0 38.922 77.844 0.351 3.4 4 24.9 5.0
150 4 1 2 38.999 77.998 0.352 3.39 4 22.3 4.0
151 0 5 2 39.09 78.181 0.352 3.38 4 32.1 8.2
152 5 2 -3 39.167 78.334 0.353 3.37 4 22.3 3.9
153 4 3 -3 39.28 78.559 0.354 3.35 4 2.8 0.1
154 4 5 -1 39.631 79.262 0.357 3.3 4 10.0 0.8
155 6 3 -1 39.668 79.336 0.357 3.3 4 4.6 0.2
156 4 4 1 39.738 79.476 0.357 3.29 4 34.4 9.2
157 3 5 -2 39.949 79.897 0.359 3.26 4 98.8 75.0
158 1 6 -1 40.05 80.101 0.36 3.25 4 2.2 0.0
159 5 4 0 40.108 80.216 0.36 3.24 4 3.1 0.1
160 0 6 1 40.192 80.384 0.361 3.23 4 15.8 1.9
161 2 1 3 40.288 80.577 0.361 3.22 4 22.0 3.7
162 2 6 0 40.56 81.12 0.363 3.19 4 6.1 0.3
163 4 5 0 40.567 81.134 0.364 3.19 4 0.2 0.0
164 3 5 1 40.624 81.247 0.364 3.18 4 34.9 9.1
165 5 4 -2 40.627 81.254 0.364 3.18 4 1.0 0.0
166 4 2 2 40.86 81.72 0.366 3.15 4 52.3 20.4
167 2 6 -1 41.043 82.087 0.367 3.13 4 55.3 22.6
168 2 4 -3 41.056 82.112 0.367 3.13 4 106.9 84.3
169 1 5 2 41.081 82.161 0.367 3.13 4 30.0 6.6
170 6 3 -2 41.121 82.243 0.368 3.13 4 12.7 1.2
171 5 3 1 41.225 82.45 0.368 3.11 4 172.3 218.0
172 7 1 -1 41.388 82.777 0.37 3.1 4 15.6 1.8
173 1 3 3 41.404 82.808 0.37 3.1 4 69.0 34.8
174 6 1 -3 41.43 82.859 0.37 3.09 4 15.4 1.7
175 1 6 1 41.466 82.932 0.37 3.09 4 12.7 1.2
176 1 4 -3 41.479 82.958 0.37 3.09 4 16.7 2.0
177 7 0 -2 41.513 83.026 0.37 3.08 2 37.4 5.1
178 3 4 -3 41.763 83.526 0.372 3.06 4 15.2 1.7
179 6 3 0 42.016 84.031 0.374 3.04 4 2.8 0.1
180 7 1 -2 42.128 84.255 0.375 3.03 4 134.2 128.6
181 2 2 3 42.137 84.274 0.375 3.03 4 65.2 30.4
182 5 3 -3 42.256 84.513 0.376 3.02 4 77.1 42.3
183 4 5 -2 42.494 84.988 0.378 2.99 4 6.2 0.3
184 3 4 2 42.878 85.756 0.38 2.96 4 19.0 2.5
185 0 4 3 43.026 86.052 0.381 2.95 4 12.0 1.0
186 2 0 -4 43.044 86.089 0.382 2.95 2 46.7 7.6
187 3 0 -4 43.046 86.092 0.382 2.95 2 44.6 6.9
188 3 6 -1 43.156 86.313 0.382 2.94 4 20.6 2.9
189 6 1 1 43.213 86.427 0.383 2.94 4 0.4 0.0
190 7 2 -1 43.229 86.458 0.383 2.94 4 5.8 0.2
191 6 2 -3 43.27 86.54 0.383 2.93 4 32.1 7.1
192 3 6 0 43.379 86.757 0.384 2.93 4 3.8 0.1
193 4 4 -3 43.592 87.184 0.385 2.91 4 1.6 0.0
194 2 1 -4 43.656 87.312 0.386 2.91 4 22.3 3.4
195 3 1 -4 43.657 87.315 0.386 2.91 4 78.2 42.0
196 7 0 0 43.809 87.619 0.387 2.9 2 0.8 0.0
197 2 6 1 43.856 87.712 0.387 2.89 4 38.6 10.2
198 4 3 2 43.928 87.855 0.388 2.89 4 7.1 0.3
199 7 2 -2 43.964 87.928 0.388 2.89 4 12.7 1.1
200 6 4 -1 43.973 87.947 0.388 2.89 4 16.0 1.7
201 5 5 -1 44.006 88.011 0.388 2.88 4 10.9 0.8
202 1 0 -4 44.165 88.33 0.389 2.87 2 12.6 0.5
203 4 0 -4 44.169 88.339 0.389 2.87 2 126.0 53.8
204 2 5 2 44.174 88.348 0.39 2.87 4 7.0 0.3
205 7 1 0 44.42 88.841 0.391 2.86 4 72.7 35.6
206 1 1 -4 44.776 89.552 0.394 2.84 4 32.5 7.1
207 4 1 -4 44.78 89.56 0.394 2.84 4 33.8 7.7
208 5 0 2 44.875 89.751 0.394 2.83 2 17.4 1.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 8.219 16.439 6.25659 675.7 55.9 56.7 5.6
2 1 1 -1 11.683 23.365 4.4173 457.4 37.8 38.2 5.6
3 0 2 0 11.916 23.832 4.332 373.4 30.9 31.1 5.6
4 1 1 1 14.822 29.643 3.49654 462.7 38.3 38.4 5.6
5 0 2 1 15.939 31.879 3.25709 29.4 2.4 2.4 5.6
6 2 2 0 16.614 33.228 3.1283 16.7 1.4 1.4 5.6
7 2 2 -1 17.467 34.935 2.97991 1209.7 100.0 100.0 5.7
8 3 1 0 18.308 36.617 2.8474 785.6 64.9 64.8 5.7
9 1 3 0 18.973 37.946 2.75115 118.7 9.8 9.8 5.7
10 2 0 -2 20.389 40.778 2.56741 20.2 1.7 1.7 5.7
11 1 3 -1 20.814 41.629 2.51718 205.0 16.9 16.8 5.7
12 1 1 -2 20.889 41.778 2.50861 55.4 4.6 4.6 5.7
13 0 3 1 21.024 42.048 2.49322 17.2 1.4 1.4 5.7
14 0 0 2 21.23 42.461 2.47006 388.5 32.1 31.9 5.7
15 2 2 1 21.888 43.776 2.39935 319.1 26.4 26.1 5.7
16 2 3 -1 22.251 44.502 2.36212 16.7 1.4 1.4 5.7
17 3 1 -2 23.303 46.606 2.26104 20.5 1.7 1.7 5.7
18 2 2 -2 23.89 47.78 2.20865 20.7 1.7 1.7 5.7
19 1 0 2 23.993 47.987 2.19968 22.2 1.8 1.8 5.7
20 0 4 0 24.391 48.781 2.166 25.1 2.1 2.0 5.7
21 1 1 2 24.805 49.61 2.13204 192.2 15.9 15.6 5.7
22 3 3 -1 25.109 50.219 2.10785 226.4 18.7 18.4 5.8
23 4 2 -1 25.329 50.657 2.09079 106.3 8.8 8.6 5.8
24 4 0 -2 25.832 51.664 2.05278 99.3 8.2 8.1 5.8
25 0 4 1 26.802 53.603 1.9837 36.5 3.0 3.0 5.8
26 2 4 0 27.25 54.501 1.95349 16.4 1.4 1.3 5.8
27 2 4 -1 27.833 55.667 1.91574 158.5 13.1 12.8 5.8
28 2 0 2 27.912 55.823 1.91079 53.8 4.4 4.3 5.8
29 5 1 -1 28.443 56.886 1.87799 92.3 7.6 7.4 5.8
30 4 2 -2 28.828 57.655 1.85505 36.0 3.0 2.9 5.8
31 3 3 -2 29.452 58.904 1.81914 39.7 3.3 3.2 5.8
32 2 4 1 31.104 62.209 1.73144 43.2 3.6 3.5 5.8
33 1 5 0 31.707 63.415 1.70185 85.1 7.0 6.8 5.9
34 4 2 1 31.997 63.995 1.68804 48.6 4.0 3.9 5.9
35 0 4 2 33.315 66.63 1.62855 101.7 8.4 8.1 5.9
36 2 2 -3 33.428 66.857 1.62365 336.0 27.8 26.7 5.9
37 4 4 -1 33.89 67.78 1.60412 22.4 1.9 1.8 5.9
38 5 3 -1 33.964 67.928 1.60105 208.3 17.2 16.5 5.9
39 4 4 0 34.879 69.759 1.56415 98.9 8.2 7.8 5.9
40 6 0 -2 35.462 70.924 1.54174 46.0 3.8 3.6 5.9
41 5 1 1 36.213 72.427 1.51399 28.5 2.4 2.2 5.9
42 6 0 0 36.396 72.793 1.50743 85.5 7.1 6.7 6.0
43 3 5 0 36.54 73.079 1.50234 77.0 6.4 6.0 6.0
44 2 3 -3 36.677 73.355 1.49749 15.6 1.3 1.2 6.0
45 4 4 -2 36.893 73.787 1.48995 30.3 2.5 2.4 6.0
46 1 3 -3 37.114 74.228 1.48236 93.3 7.7 7.3 6.0
47 5 1 -3 37.282 74.564 1.47664 48.2 4.0 3.8 6.0
48 3 3 -3 37.407 74.814 1.47243 24.7 2.0 1.9 6.0
49 1 5 -2 38.229 76.459 1.44545 17.2 1.4 1.3 6.0
50 0 6 0 38.275 76.549 1.444 93.5 7.7 7.3 6.0
51 4 0 2 38.373 76.746 1.44087 26.8 2.2 2.1 6.0
52 3 5 -2 39.949 79.897 1.39302 75.0 6.2 5.8 6.0
53 4 2 2 40.86 81.72 1.36723 20.4 1.7 1.6 6.1
54 2 4 -3 41.056 82.112 1.36185 113.6 9.4 8.7 6.1
55 5 3 1 41.225 82.45 1.35726 218.0 18.0 16.8 6.1
56 1 3 3 41.404 82.808 1.35244 38.3 3.2 2.9 6.1
57 7 1 -2 42.128 84.255 1.33346 158.9 13.1 12.2 6.1
58 5 3 -3 42.256 84.513 1.33015 42.3 3.5 3.2 6.1
59 2 0 -4 43.044 86.089 1.31044 14.5 1.2 1.1 6.1
60 3 1 -4 43.657 87.315 1.29567 45.4 3.8 3.4 6.2
61 4 0 -4 44.169 88.339 1.2837 54.1 4.5 4.1 6.2
62 7 1 0 44.42 88.841 1.27795 35.6 2.9 2.7 6.2
63 4 1 -4 44.78 89.56 1.26984 14.7 1.2 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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