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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FENAKSITE
3, t-litidionite, syn
KNaFeSi(4)O(10)
Triclinic P 1(-) Z = 2
P1(-)
5 .10 .15
Ref.Str.:
Brandao P., Rocha J., Reis M.S., dos Santos A.M., Jin R. (2009)
* J. Solid State Chem., 182, 253-258
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.9742 alpha = 105.78
b = 8.1326 beta = 100.6
c = 9.9301 gamma = 114.26
Unit cell volume (cub. angs.) = 465.22
Molar volume ( cub.cm/mol.) = 140.11
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.158 0.7973 0.99 0.0 K = 1.00
2 0.1634 1.1377 0.4098 0.0 Na = 1.00
3 0.6565 1.108 0.4065 0.0 Fe = 1.00
4 0.4681 1.3024 0.214 0.0 Si = 1.00
5 0.3739 0.6411 0.2709 0.0 Si = 1.00
6 0.7069 0.8267 0.1319 0.0 Si = 1.00
7 0.9424 0.6414 0.2724 0.0 Si = 1.00
8 0.4291 1.1425 0.2829 0.0 O = 1.00
9 0.8004 1.0443 0.2393 0.0 O = 1.00
10 0.5059 0.8301 0.4193 0.0 O = 1.00
11 0.6745 0.8103 0.9616 0.0 O = 1.00
12 0.7265 1.4327 0.231 0.0 O = 1.00
13 1.1125 0.5794 0.2075 0.0 O = 1.00
14 0.8813 0.7461 0.1658 0.0 O = 1.00
15 1.0422 0.7828 0.4406 0.0 O = 1.00
16 0.467 0.6745 0.1352 0.0 O = 1.00
17 0.3781 1.4491 0.2885 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.158 0.7973 0.99
2 2 0.1634 1.1377 0.4098
3 3 0.6565 1.108 0.4065
4 4 0.4681 1.3024 0.214
5 5 0.3739 0.6411 0.2709
6 6 0.7069 0.8267 0.1319
7 7 0.9424 0.6414 0.2724
8 8 0.4291 1.1425 0.2829
9 9 0.8004 1.0443 0.2393
10 10 0.5059 0.8301 0.4193
11 11 0.6745 0.8103 0.9616
12 12 0.7265 1.4327 0.231
13 13 1.1125 0.5794 0.2075
14 14 0.8813 0.7461 0.1658
15 15 1.0422 0.7828 0.4406
16 16 0.467 0.6745 0.1352
17 17 0.3781 1.4491 0.2885
18 1 0.842 0.2027 0.01
19 2 0.8366 0.8623 0.5902
20 3 0.3435 0.892 0.5935
21 4 0.5318 0.6976 0.786
22 5 0.6261 0.3589 0.7291
23 6 0.2931 0.1733 0.8681
24 7 0.0576 0.3586 0.7276
25 8 0.5709 0.8575 0.7171
26 9 0.1996 0.9557 0.7607
27 10 0.4941 0.1699 0.5807
28 11 0.3255 0.1897 0.0384
29 12 0.2735 0.5673 0.769
30 13 0.8875 0.4206 0.7925
31 14 0.1187 0.2539 0.8342
32 15 0.9578 0.2172 0.5594
33 16 0.533 0.3255 0.8648
34 17 0.6219 0.5509 0.7115
X-ray density (g/cm cub.) = 2.79
MU (1/cm) = 183.787 Mass attenuation coefficient (cm**2/g) = 65.989
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.228 8
3.0154 8
3.1268 13
2.8145 14
3.0214 16
2.9085 9
2.7708 11
2.9355 12
2.7223 13
2 Na 2.808 5
2.4181 8
2.4486 9
2.7764 15
2.4677 10
2.3889 15
3 Fe 2.592 5
1.9842 8
2.1459 9
2.1166 10
2.29 10
2.0172 15
4 Si 2.1 4
1.5799 8
1.6182 12
1.6343 17
1.6169 11
5 Si 2.1 4
1.5772 10
1.6211 13
1.6392 16
1.6289 17
6 Si 2.1 4
1.5701 9
1.6243 11
1.6268 14
1.6349 16
7 Si 2.1 4
1.6161 12
1.6342 13
1.6274 14
1.5705 15
8 O 3.264 5
3.075 9
2.6773 12
2.6469 17
2.8401 10
2.5801 11
9 O 3.264 6
3.075 8
3.248 10
2.6228 11
2.6544 14
2.6829 16
2.8816 15
10 O 3.264 8
3.248 9
2.6565 13
3.1503 15
2.6695 16
2.6832 17
2.8401 8
2.8351 10
3.1033 15
11 O 3.264 6
2.6228 9
2.5652 14
2.6315 16
2.5801 8
2.6116 12
2.6333 17
12 O 3.264 6
2.6773 8
2.5432 13
2.6414 14
2.6879 15
2.6423 17
2.6116 11
13 O 3.264 6
2.6565 10
2.5432 12
2.5424 14
2.708 15
2.5711 16
2.5949 17
14 O 3.264 6
2.6544 9
2.5652 11
2.6414 12
2.5424 13
2.6361 15
2.6415 16
15 O 3.264 6
3.1503 10
2.6879 12
2.708 13
2.6361 14
2.8816 9
3.1033 10
16 O 3.264 6
2.6829 9
2.6695 10
2.6315 11
2.5711 13
2.6415 14
2.6446 17
17 O 3.264 6
2.6469 8
2.6832 10
2.6423 12
2.5949 13
2.6446 16
2.6333 11
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 0 0 1 5.706 11.411 0.056 199.37 2 1.6 0.5
2 0 -1 1 7.475 14.949 0.073 115.23 2 50.8 274.5
3 0 1 0 7.521 15.041 0.073 113.8 2 24.2 61.4
4 -1 1 0 8.211 16.422 0.08 95.11 2 20.2 35.8
5 -1 0 1 8.568 17.136 0.083 87.16 2 5.7 2.6
6 1 0 0 8.593 17.187 0.084 86.64 2 44.7 159.7
7 1 -1 1 10.008 20.016 0.097 63.3 2 28.7 48.1
8 -1 1 1 10.034 20.069 0.097 62.96 2 36.8 78.7
9 0 -1 2 11.011 22.023 0.107 51.92 2 44.5 95.1
10 0 1 1 11.106 22.212 0.108 51.0 2 16.5 12.8
11 0 0 2 11.469 22.938 0.111 47.7 2 54.1 128.8
12 -1 0 2 11.803 23.605 0.114 44.92 2 16.3 11.0
13 1 0 1 11.858 23.716 0.115 44.49 2 41.0 68.9
14 -1 -1 1 12.695 25.39 0.123 38.55 2 73.1 190.3
15 1 -2 1 13.238 26.477 0.128 35.29 2 57.3 107.2
16 -1 2 0 13.275 26.55 0.128 35.08 2 6.0 1.2
17 -1 -1 2 13.916 27.833 0.134 31.74 2 30.0 26.4
18 0 -2 1 13.963 27.925 0.135 31.52 2 23.5 16.1
19 1 1 0 13.999 27.997 0.135 31.34 2 1.5 0.1
20 1 -1 2 14.152 28.304 0.137 30.63 2 24.2 16.6
21 -1 1 2 14.19 28.379 0.137 30.45 2 26.6 19.9
22 0 -2 2 15.08 30.16 0.145 26.74 2 101.5 254.6
23 -2 1 1 15.146 30.292 0.146 26.49 2 19.4 9.2
24 -2 1 0 15.152 30.303 0.146 26.47 2 40.5 40.1
25 0 2 0 15.175 30.349 0.146 26.38 2 72.1 126.6
26 1 -2 2 15.556 31.113 0.15 25.01 2 71.4 117.8
27 -1 2 1 15.651 31.302 0.151 24.69 2 14.6 4.8
28 0 -1 3 15.982 31.964 0.154 23.6 2 28.4 17.5
29 0 1 2 16.094 32.188 0.155 23.24 2 121.5 316.9
30 -2 0 1 16.341 32.683 0.157 22.49 2 59.2 72.9
31 -1 0 3 16.561 33.122 0.159 21.85 2 24.6 12.2
32 -2 2 0 16.597 33.194 0.16 21.75 2 49.0 48.3
33 1 0 2 16.628 33.257 0.16 21.66 2 40.0 32.0
34 -1 -1 3 17.171 34.342 0.165 20.2 2 54.3 55.0
35 -2 1 2 17.255 34.509 0.166 19.98 2 115.9 248.1
36 2 -1 1 17.27 34.54 0.166 19.94 2 118.5 258.8
37 1 1 1 17.307 34.615 0.166 19.85 2 78.8 113.8
38 -2 0 2 17.336 34.672 0.167 19.78 2 80.7 119.0
39 0 0 3 17.353 34.706 0.167 19.74 2 6.6 0.8
40 2 0 0 17.388 34.776 0.167 19.65 2 3.3 0.2
41 2 -2 1 17.589 35.178 0.169 19.16 2 43.3 33.2
42 -2 2 1 17.62 35.24 0.169 19.09 2 26.2 12.1
43 0 -2 3 18.139 36.279 0.174 17.91 2 16.1 4.3
44 0 2 1 18.3 36.599 0.176 17.57 2 103.8 174.9
45 -1 -2 2 19.196 38.392 0.184 15.81 2 34.1 17.0
46 -1 -2 1 19.246 38.492 0.184 15.72 2 6.5 0.6
47 1 -3 1 19.272 38.545 0.185 15.67 2 30.8 13.7
48 1 -1 3 19.289 38.578 0.185 15.64 2 3.7 0.2
49 -1 1 3 19.332 38.664 0.185 15.57 2 70.9 72.3
50 1 -2 3 19.477 38.954 0.186 15.31 2 85.0 102.2
51 -1 2 2 19.607 39.214 0.188 15.09 2 47.3 31.2
52 -2 0 3 20.107 40.214 0.192 14.27 2 79.8 84.0
53 1 -3 2 20.12 40.241 0.192 14.24 2 20.8 5.7
54 2 0 1 20.199 40.397 0.193 14.12 2 8.3 0.9
55 -1 3 0 20.208 40.415 0.193 14.11 2 43.1 24.3
56 2 -2 2 20.339 40.678 0.194 13.91 2 83.3 89.2
57 -2 2 2 20.394 40.789 0.195 13.82 2 37.0 17.5
58 -2 -1 2 20.605 41.211 0.197 13.51 2 25.2 7.9
59 -2 -1 1 20.646 41.292 0.197 13.45 2 72.3 64.9
60 -1 -2 3 20.906 41.812 0.199 13.08 2 15.8 3.0
61 -2 1 3 20.918 41.836 0.2 13.06 2 52.9 33.8
62 2 -1 2 20.94 41.879 0.2 13.03 2 55.2 36.7
63 2 -3 1 21.028 42.056 0.201 12.91 2 29.7 10.5
64 1 2 0 21.046 42.092 0.201 12.88 2 6.1 0.5
65 -2 3 0 21.059 42.118 0.201 12.87 2 103.3 126.9
66 0 -3 2 21.402 42.803 0.204 12.41 2 135.6 210.8
67 0 -3 1 21.454 42.908 0.204 12.34 2 41.0 19.1
68 0 -1 4 21.549 43.098 0.205 12.22 2 50.4 28.7
69 -1 -1 4 21.661 43.321 0.206 12.08 2 77.9 67.7
70 0 1 3 21.671 43.341 0.206 12.07 2 0.8 0.0
71 1 1 2 21.829 43.658 0.208 11.87 2 3.3 0.1
72 -1 0 4 22.007 44.015 0.209 11.65 2 57.6 35.8
73 1 0 3 22.082 44.163 0.21 11.57 2 32.6 11.4
74 -2 -1 3 22.232 44.464 0.212 11.39 2 14.5 2.2
75 2 1 0 22.346 44.692 0.213 11.26 2 42.1 18.4
76 0 -2 4 22.458 44.917 0.214 11.13 2 7.2 0.5
77 1 -3 3 22.584 45.169 0.215 10.99 2 31.8 10.3
78 2 -3 2 22.638 45.277 0.215 10.93 2 23.9 5.8
79 0 2 2 22.66 45.319 0.215 10.91 2 17.2 3.0
80 -2 3 1 22.726 45.453 0.216 10.84 2 3.2 0.1
81 -1 3 1 22.743 45.487 0.216 10.82 2 13.8 1.9
82 -3 1 1 22.853 45.705 0.217 10.7 2 4.8 0.2
83 0 -3 3 22.971 45.941 0.218 10.58 2 20.8 4.2
84 0 3 0 23.119 46.238 0.219 10.43 2 48.9 23.0
85 -3 2 0 23.193 46.386 0.22 10.35 2 15.1 2.2
86 -3 2 1 23.195 46.39 0.22 10.35 2 3.2 0.1
87 0 0 4 23.433 46.866 0.222 10.11 2 37.0 12.8
88 -3 1 2 23.62 47.239 0.224 9.93 2 0.2 0.0
89 -3 1 0 23.648 47.295 0.224 9.91 2 2.2 0.0
90 -1 -2 4 24.068 48.137 0.228 9.52 2 4.2 0.2
91 -2 0 4 24.147 48.294 0.229 9.45 2 65.1 37.1
92 2 0 2 24.266 48.531 0.23 9.34 2 10.9 1.0
93 1 2 1 24.277 48.554 0.23 9.33 2 20.7 3.7
94 2 -2 3 24.356 48.711 0.231 9.26 2 32.8 9.2
95 1 -2 4 24.365 48.729 0.231 9.26 2 23.6 4.8
96 -2 2 3 24.427 48.855 0.231 9.2 2 42.3 15.2
97 -1 2 3 24.517 49.034 0.232 9.13 2 15.7 2.1
98 3 -2 1 24.717 49.434 0.234 8.96 2 13.5 1.5
99 -3 2 2 24.724 49.447 0.234 8.95 2 48.0 19.0
100 1 -1 4 24.972 49.943 0.236 8.75 2 13.0 1.4
101 -1 1 4 25.019 50.037 0.236 8.72 2 22.6 4.1
102 -3 0 2 25.133 50.267 0.237 8.63 2 9.3 0.7
103 -3 0 1 25.162 50.325 0.238 8.6 2 12.1 1.2
104 -2 -1 4 25.27 50.539 0.239 8.52 2 47.4 17.7
105 -3 3 0 25.37 50.739 0.24 8.44 2 1.6 0.0
106 2 1 1 25.442 50.884 0.24 8.39 2 25.2 4.9
107 -2 1 4 25.602 51.204 0.242 8.27 2 52.7 21.2
108 2 -1 3 25.628 51.256 0.242 8.25 2 73.4 41.1
109 2 -3 3 25.646 51.293 0.242 8.24 2 47.1 16.9
110 -2 3 2 25.78 51.56 0.243 8.14 2 46.3 16.1
111 -3 1 3 25.842 51.684 0.244 8.1 2 48.1 17.3
112 3 -1 1 25.895 51.789 0.244 8.06 2 14.0 1.5
113 0 -3 4 25.931 51.861 0.244 8.03 2 4.7 0.2
114 -1 -3 2 26.034 52.067 0.245 7.96 2 1.8 0.0
115 -2 -2 2 26.073 52.147 0.246 7.93 2 58.3 24.9
116 3 -3 1 26.076 52.153 0.246 7.93 2 11.6 1.0
117 -3 3 1 26.111 52.221 0.246 7.91 2 42.2 13.0
118 0 3 1 26.157 52.313 0.246 7.88 2 20.4 3.0
119 1 -3 4 26.307 52.615 0.248 7.77 2 3.9 0.1
120 1 -4 2 26.493 52.986 0.249 7.65 2 48.4 16.5
121 -1 3 2 26.52 53.041 0.25 7.63 2 18.5 2.4
122 1 -4 1 26.543 53.087 0.25 7.62 2 9.8 0.7
123 -3 0 3 26.549 53.098 0.25 7.61 2 17.1 2.0
124 2 -4 1 26.598 53.195 0.25 7.58 2 15.2 1.6
125 3 0 0 26.632 53.264 0.251 7.56 2 4.3 0.1
126 -1 -3 3 26.691 53.383 0.251 7.52 2 0.2 0.0
127 -2 -2 3 26.736 53.472 0.251 7.49 2 3.7 0.1
128 -1 -3 1 26.798 53.597 0.252 7.45 2 33.3 7.6
129 -2 -2 1 26.832 53.663 0.252 7.43 2 104.7 75.3
130 -1 -1 5 26.928 53.856 0.253 7.37 2 0.4 0.0
131 1 1 3 27.119 54.237 0.255 7.25 2 8.5 0.5
132 2 -4 2 27.258 54.517 0.256 7.17 2 7.2 0.3
133 -2 4 0 27.339 54.677 0.257 7.12 2 77.0 39.0
134 0 -1 5 27.539 55.079 0.258 7.0 2 82.6 44.2
135 3 -2 2 27.58 55.159 0.259 6.98 2 39.1 9.9
136 -3 2 3 27.589 55.179 0.259 6.98 2 11.6 0.9
137 0 -2 5 27.604 55.209 0.259 6.97 2 22.4 3.2
138 0 1 4 27.67 55.339 0.26 6.93 2 48.4 15.0
139 0 2 3 27.835 55.671 0.261 6.84 2 5.8 0.2
140 1 -4 3 27.838 55.676 0.261 6.83 2 33.3 7.0
141 -1 0 5 27.928 55.856 0.262 6.78 2 21.2 2.8
142 -1 4 0 27.984 55.967 0.262 6.75 2 11.3 0.8
143 1 0 4 28.008 56.017 0.263 6.74 2 6.6 0.3
144 3 -3 2 28.154 56.308 0.264 6.66 2 13.1 1.1
145 -3 3 2 28.219 56.438 0.264 6.63 2 38.3 9.0
146 -1 -2 5 28.322 56.645 0.265 6.57 2 13.0 1.0
147 1 2 2 28.583 57.166 0.267 6.44 2 29.5 5.2
148 -1 -3 4 28.703 57.407 0.268 6.38 2 42.5 10.6
149 -2 -2 4 28.751 57.502 0.269 6.35 2 71.4 29.9
150 0 -4 2 28.854 57.708 0.27 6.3 2 20.5 2.5
151 1 3 0 28.907 57.815 0.27 6.28 2 34.2 6.8
152 2 2 0 28.934 57.868 0.27 6.26 2 18.4 2.0
153 -3 -1 2 28.965 57.929 0.271 6.25 2 43.2 10.8
154 -2 0 5 29.083 58.167 0.272 6.19 2 48.4 13.4
155 2 0 3 29.222 58.445 0.273 6.12 2 98.2 54.5
156 2 -4 3 29.256 58.513 0.273 6.11 2 69.7 27.4
157 -3 0 4 29.262 58.523 0.273 6.11 2 35.6 7.2
158 2 -2 4 29.274 58.548 0.273 6.1 2 31.5 5.6
159 -3 1 4 29.283 58.566 0.273 6.1 2 2.1 0.0
160 3 -1 2 29.355 58.711 0.274 6.06 2 23.4 3.1
161 -2 2 4 29.358 58.716 0.274 6.06 2 108.5 65.9
162 3 0 1 29.392 58.783 0.274 6.05 2 82.3 37.8
163 -2 -1 5 29.405 58.811 0.274 6.04 2 29.8 4.9
164 -2 4 1 29.41 58.82 0.274 6.04 2 6.2 0.2
165 0 -4 3 29.463 58.927 0.275 6.01 2 3.6 0.1
166 0 -4 1 29.574 59.149 0.276 5.96 2 59.8 19.7
167 -3 -1 3 29.589 59.177 0.276 5.96 2 14.3 1.1
168 2 1 2 29.623 59.246 0.276 5.94 2 36.6 7.3
169 -3 -1 1 29.668 59.336 0.277 5.92 2 28.3 4.4
170 3 -4 1 29.725 59.451 0.277 5.89 2 0.8 0.0
171 2 -3 4 29.753 59.505 0.277 5.88 2 26.1 3.7
172 -3 4 0 29.755 59.51 0.277 5.88 2 28.8 4.5
173 0 0 5 29.808 59.616 0.278 5.86 2 68.5 25.4
174 -2 3 3 29.922 59.844 0.279 5.81 2 0.0 0.0
175 1 -2 5 29.932 59.865 0.279 5.8 2 7.0 0.3
176 0 -3 5 29.993 59.986 0.279 5.78 2 48.2 12.4
177 -1 2 4 30.103 60.205 0.28 5.73 2 12.2 0.8
178 0 3 2 30.281 60.561 0.282 5.65 2 37.3 7.3
179 1 -4 4 30.454 60.909 0.283 5.58 2 55.9 16.1
180 -1 4 1 30.684 61.368 0.285 5.49 2 6.5 0.2
181 -4 2 1 30.871 61.742 0.287 5.42 2 157.1 123.5
182 1 -3 5 30.99 61.98 0.288 5.37 2 34.0 5.7
183 3 -4 2 30.995 61.99 0.288 5.37 2 32.0 5.1
184 -2 1 5 31.031 62.063 0.288 5.36 2 22.4 2.5
185 2 -1 4 31.061 62.121 0.288 5.34 2 11.7 0.7
186 -3 4 1 31.081 62.162 0.289 5.34 2 20.3 2.0
187 1 -1 5 31.119 62.239 0.289 5.32 2 61.9 18.8
188 -1 1 5 31.17 62.341 0.289 5.3 2 20.5 2.1
189 -1 3 3 31.246 62.492 0.29 5.27 2 54.4 14.4
190 0 -4 4 31.355 62.711 0.291 5.23 2 47.1 10.7
191 3 -3 3 31.424 62.848 0.291 5.21 2 79.9 30.7
192 -3 -1 4 31.491 62.982 0.292 5.18 2 65.3 20.4
193 -4 2 2 31.504 63.008 0.292 5.18 2 9.9 0.5
194 -3 3 3 31.515 63.03 0.292 5.18 2 32.4 5.0
195 -4 2 0 31.517 63.034 0.292 5.18 2 30.6 4.5
196 3 -2 3 31.54 63.08 0.292 5.17 2 36.8 6.5
197 -3 2 4 31.553 63.105 0.293 5.16 2 24.6 2.9
198 0 4 0 31.569 63.138 0.293 5.16 2 65.7 20.6
199 3 1 0 31.644 63.288 0.293 5.13 2 0.8 0.0
200 -4 1 2 31.803 63.606 0.295 5.07 2 21.2 2.1
201 -4 1 1 31.823 63.645 0.295 5.07 2 66.7 20.8
202 -1 -3 5 31.906 63.811 0.295 5.04 2 15.3 1.1
203 -2 -2 5 31.955 63.911 0.296 5.02 2 89.9 37.5
204 -4 3 0 32.119 64.238 0.297 4.97 2 9.0 0.4
205 -4 3 1 32.126 64.251 0.297 4.96 2 22.2 2.3
206 1 3 1 32.193 64.386 0.298 4.94 2 36.9 6.2
207 2 2 1 32.213 64.425 0.298 4.93 2 47.7 10.4
208 2 -4 4 32.437 64.874 0.3 4.86 2 85.7 33.0
209 -2 4 2 32.654 65.308 0.302 4.79 2 60.4 16.2
210 -1 -1 6 32.817 65.633 0.303 4.74 2 5.3 0.1
211 -2 -3 3 32.953 65.906 0.304 4.7 2 27.4 3.3
212 -2 -3 2 33.008 66.016 0.305 4.68 2 24.9 2.7
213 1 1 4 33.028 66.056 0.305 4.68 2 14.3 0.9
214 -4 1 3 33.035 66.07 0.305 4.67 2 31.4 4.3
215 -3 0 5 33.076 66.152 0.305 4.66 2 27.7 3.3
216 -4 1 0 33.093 66.186 0.305 4.66 2 3.3 0.0
217 3 0 2 33.245 66.491 0.306 4.61 2 24.3 2.5
218 4 -3 1 33.357 66.714 0.307 4.58 2 0.1 0.0
219 -4 2 3 33.374 66.748 0.308 4.57 2 5.9 0.1
220 -4 3 2 33.377 66.754 0.308 4.57 2 48.7 10.0
221 4 -2 1 33.399 66.799 0.308 4.57 2 6.8 0.2
222 0 -2 6 33.414 66.827 0.308 4.56 2 23.8 2.4
223 -1 -2 6 33.436 66.873 0.308 4.56 2 16.8 1.2
224 3 -4 3 33.478 66.956 0.308 4.54 2 21.2 1.9
225 2 -5 2 33.562 67.124 0.309 4.52 2 23.5 2.3
226 2 -5 1 33.611 67.221 0.309 4.51 2 19.0 1.5
227 -3 4 2 33.616 67.232 0.309 4.5 2 2.1 0.0
228 0 2 4 33.672 67.344 0.31 4.49 2 8.7 0.3
229 -3 1 5 33.725 67.45 0.31 4.47 2 33.9 4.8
230 1 2 3 33.741 67.482 0.31 4.47 2 20.3 1.7
231 3 -1 3 33.814 67.628 0.311 4.45 2 12.5 0.6
232 -1 -4 3 33.862 67.723 0.311 4.44 2 8.1 0.3
233 -1 -4 2 33.921 67.842 0.312 4.42 2 0.2 0.0
234 0 -1 6 33.982 67.964 0.312 4.4 2 58.9 14.1
235 1 -5 2 34.076 68.152 0.313 4.38 2 23.8 2.3
236 0 1 5 34.123 68.246 0.314 4.37 2 14.6 0.9
237 -2 -3 4 34.128 68.256 0.314 4.36 2 49.7 10.0
238 1 -4 5 34.173 68.346 0.314 4.35 2 39.1 6.2
239 -4 0 2 34.244 68.488 0.315 4.33 2 4.5 0.1
240 -2 -3 1 34.291 68.582 0.315 4.32 2 24.5 2.4
241 -1 0 6 34.332 68.663 0.315 4.31 2 21.3 1.8
242 0 -4 5 34.41 68.82 0.316 4.29 2 16.7 1.1
243 1 0 5 34.419 68.838 0.316 4.29 2 11.5 0.5
244 -2 -1 6 34.43 68.86 0.316 4.29 2 32.5 4.2
245 -1 4 2 34.475 68.95 0.316 4.27 2 0.6 0.0
246 -3 -1 5 34.554 69.107 0.317 4.25 2 2.0 0.0
247 -3 -2 3 34.579 69.157 0.317 4.25 2 7.2 0.2
248 1 -5 3 34.628 69.255 0.318 4.24 2 34.8 4.7
249 -3 -2 2 34.628 69.256 0.318 4.24 2 26.1 2.7
250 2 1 3 34.687 69.374 0.318 4.22 2 15.0 0.9
251 0 4 1 34.715 69.431 0.318 4.21 2 34.2 4.6
252 2 -5 3 34.733 69.466 0.318 4.21 2 40.9 6.5
253 1 -5 1 34.739 69.478 0.319 4.21 2 21.7 1.8
254 -2 0 6 34.755 69.51 0.319 4.2 2 22.3 1.9
255 2 -3 5 34.755 69.51 0.319 4.2 2 42.9 7.1
256 3 1 1 34.772 69.544 0.319 4.2 2 25.5 2.5
257 -4 0 3 34.819 69.637 0.319 4.19 2 47.0 8.6
258 -4 4 0 34.839 69.678 0.319 4.18 2 10.2 0.4
259 -2 5 0 34.876 69.752 0.32 4.17 2 61.0 14.4
260 -4 0 1 34.882 69.763 0.32 4.17 2 49.0 9.3
261 2 0 4 34.913 69.825 0.32 4.17 2 80.6 25.0
262 2 -2 5 34.934 69.868 0.32 4.16 2 16.8 1.1
263 -2 3 4 34.955 69.911 0.32 4.16 2 6.7 0.2
264 0 -3 6 34.961 69.922 0.32 4.15 2 16.3 1.0
265 -1 -4 4 35.017 70.034 0.321 4.14 2 40.3 6.2
266 -2 2 5 35.03 70.059 0.321 4.14 2 68.3 17.8
267 -1 -4 1 35.192 70.384 0.322 4.1 2 29.8 3.4
268 3 -5 1 35.23 70.459 0.322 4.09 2 53.7 10.9
269 0 3 3 35.302 70.604 0.323 4.07 2 65.3 16.1
270 4 -4 1 35.422 70.843 0.324 4.05 2 90.3 30.5
271 -4 1 4 35.451 70.903 0.324 4.04 2 44.7 7.5
272 -4 4 1 35.46 70.919 0.324 4.04 2 38.1 5.4
273 4 -1 1 35.545 71.09 0.325 4.02 2 66.3 16.3
274 3 -3 4 35.715 71.431 0.326 3.98 2 32.4 3.9
275 -3 -2 4 35.733 71.466 0.326 3.98 2 2.6 0.0
276 4 -3 2 35.776 71.551 0.327 3.97 2 19.4 1.4
277 3 -5 2 35.789 71.578 0.327 3.96 2 39.6 5.8
278 -4 3 3 35.808 71.615 0.327 3.96 2 42.4 6.6
279 -3 3 4 35.829 71.659 0.327 3.96 2 60.2 13.3
280 -3 5 0 35.868 71.735 0.328 3.95 2 5.7 0.1
281 -3 -2 1 35.878 71.756 0.328 3.95 2 27.4 2.7
282 1 -2 6 36.123 72.246 0.33 3.89 2 23.8 2.0
283 -1 -3 6 36.137 72.274 0.33 3.89 2 57.9 12.1
284 -2 -2 6 36.189 72.378 0.33 3.88 2 40.2 5.8
285 -1 2 5 36.312 72.624 0.331 3.85 2 60.8 13.1
286 1 -5 4 36.37 72.74 0.331 3.84 2 46.5 7.7
287 -4 2 4 36.387 72.775 0.332 3.84 2 3.5 0.0
288 4 -2 2 36.424 72.847 0.332 3.83 2 19.6 1.4
289 3 -2 4 36.431 72.863 0.332 3.83 2 1.3 0.0
290 -3 2 5 36.447 72.893 0.332 3.83 2 4.8 0.1
291 -2 -3 5 36.477 72.953 0.332 3.82 2 47.4 7.9
292 1 -3 6 36.486 72.971 0.332 3.82 2 24.2 2.1
293 1 3 2 36.498 72.997 0.332 3.82 2 56.4 11.2
294 2 2 2 36.512 73.024 0.333 3.81 2 38.6 5.2
295 -4 0 4 36.58 73.161 0.333 3.8 2 11.9 0.5
296 -1 5 0 36.588 73.175 0.333 3.8 2 25.2 2.2
297 0 0 6 36.621 73.241 0.333 3.79 2 59.5 12.4
298 2 -4 5 36.649 73.299 0.334 3.79 2 46.4 7.5
299 4 0 0 36.704 73.408 0.334 3.78 2 39.9 5.6
300 2 3 0 36.74 73.48 0.334 3.77 2 5.1 0.1
301 -1 3 4 36.781 73.562 0.335 3.76 2 7.0 0.2
302 -2 4 3 36.923 73.846 0.336 3.73 2 39.6 5.4
303 3 -4 4 37.057 74.114 0.337 3.71 2 10.5 0.4
304 2 -5 4 37.071 74.143 0.337 3.71 2 34.7 4.1
305 -2 1 6 37.14 74.281 0.338 3.69 2 59.8 12.2
306 2 -1 5 37.173 74.347 0.338 3.69 2 44.7 6.8
307 4 -4 2 37.183 74.367 0.338 3.69 2 4.9 0.1
308 0 -5 3 37.217 74.434 0.338 3.68 2 25.1 2.1
309 -3 4 3 37.242 74.484 0.338 3.68 2 71.8 17.5
310 -4 4 2 37.258 74.516 0.338 3.67 2 67.2 15.3
311 0 -5 2 37.279 74.558 0.339 3.67 2 32.7 3.6
312 -2 5 1 37.303 74.607 0.339 3.66 2 22.3 1.7
313 -1 -4 5 37.337 74.674 0.339 3.66 2 21.1 1.5
314 3 -5 3 37.524 75.048 0.34 3.62 2 84.6 24.0
315 1 4 0 37.622 75.243 0.341 3.61 2 44.9 6.7
316 -3 5 1 37.678 75.357 0.342 3.6 2 6.8 0.2
317 1 -1 6 37.806 75.612 0.343 3.58 2 1.3 0.0
318 -3 0 6 37.852 75.703 0.343 3.57 2 51.4 8.7
319 -1 1 6 37.862 75.723 0.343 3.57 2 37.3 4.6
320 -3 -2 5 38.045 76.09 0.344 3.54 2 71.6 16.8
321 3 0 3 38.057 76.115 0.345 3.53 2 30.5 3.0
322 3 2 0 38.281 76.563 0.346 3.5 2 42.5 5.8
323 0 -5 4 38.326 76.651 0.347 3.49 2 74.6 18.0
324 0 -5 1 38.509 77.017 0.348 3.46 2 80.7 20.9
325 0 -4 6 38.511 77.021 0.348 3.46 2 81.8 21.4
326 -4 -1 3 38.593 77.186 0.349 3.45 2 110.9 39.2
327 -4 -1 2 38.636 77.271 0.349 3.44 2 11.7 0.4
328 -3 -1 6 38.662 77.324 0.349 3.44 2 0.5 0.0
329 1 -4 6 38.873 77.746 0.351 3.41 2 4.5 0.1
330 0 4 2 38.901 77.801 0.351 3.4 2 18.0 1.0
331 3 1 2 38.941 77.883 0.351 3.4 2 54.9 9.5
332 -4 1 5 38.963 77.926 0.352 3.39 2 44.6 6.2
333 -3 1 6 39.058 78.115 0.352 3.38 2 31.7 3.1
334 4 -1 2 39.089 78.179 0.352 3.38 2 11.1 0.4
335 3 -1 4 39.163 78.326 0.353 3.37 2 35.1 3.8
336 1 -5 5 39.241 78.481 0.354 3.36 2 23.9 1.8
337 -1 4 3 39.242 78.485 0.354 3.36 2 41.6 5.4
338 4 -3 3 39.288 78.576 0.354 3.35 2 50.5 7.9
339 -4 3 4 39.332 78.664 0.354 3.34 2 7.7 0.2
340 -1 -2 7 39.343 78.686 0.354 3.34 2 1.6 0.0
341 -1 -1 7 39.354 78.709 0.354 3.34 2 8.8 0.2
342 4 -5 1 39.451 78.903 0.355 3.33 2 71.6 15.8
343 -4 0 5 39.469 78.937 0.355 3.32 2 10.1 0.3
344 -4 5 0 39.482 78.964 0.355 3.32 2 5.6 0.1
345 -1 5 1 39.559 79.118 0.356 3.31 2 5.0 0.1
346 1 1 5 39.59 79.18 0.356 3.31 2 39.3 4.7
347 4 0 1 39.649 79.299 0.357 3.3 2 63.0 12.1
348 1 2 4 39.692 79.385 0.357 3.29 2 0.5 0.0
349 -4 -1 4 39.708 79.415 0.357 3.29 2 22.7 1.6
350 -4 -1 1 39.834 79.668 0.358 3.28 2 35.4 3.8
351 0 -2 7 39.906 79.812 0.359 3.27 2 69.3 14.5
352 -2 -3 6 39.923 79.846 0.359 3.26 2 36.8 4.1
353 4 -4 3 40.069 80.139 0.36 3.25 2 21.1 1.3
354 -5 2 2 40.156 80.312 0.36 3.24 2 4.4 0.1
355 -5 2 1 40.169 80.338 0.361 3.23 2 29.7 2.6
356 -4 4 3 40.179 80.358 0.361 3.23 2 23.6 1.7
357 -5 3 1 40.195 80.39 0.361 3.23 2 43.3 5.6
358 0 2 5 40.196 80.391 0.361 3.23 2 55.4 9.1
359 2 3 1 40.281 80.562 0.361 3.22 2 110.5 36.3
360 -2 -1 7 40.283 80.566 0.361 3.22 2 57.2 9.7
361 3 -5 4 40.383 80.766 0.362 3.21 2 12.9 0.5
362 -4 2 5 40.456 80.912 0.363 3.2 2 18.7 1.0
363 4 -2 3 40.503 81.006 0.363 3.19 2 6.0 0.1
364 2 -5 5 40.507 81.014 0.363 3.19 2 23.1 1.6
365 4 -5 2 40.571 81.142 0.364 3.19 2 52.1 8.0
366 0 -5 5 40.574 81.148 0.364 3.19 2 4.1 0.0
367 2 1 4 40.58 81.161 0.364 3.18 2 38.7 4.4
368 2 -3 6 40.597 81.194 0.364 3.18 2 58.9 10.2
369 -2 -4 3 40.607 81.215 0.364 3.18 2 95.1 26.6
370 -3 5 2 40.609 81.219 0.364 3.18 2 50.5 7.5
371 -4 5 1 40.662 81.324 0.364 3.18 2 49.0 7.0
372 -1 -4 6 40.755 81.511 0.365 3.17 2 49.0 7.0
373 -5 3 2 40.767 81.535 0.365 3.16 2 27.5 2.2
374 -5 3 0 40.77 81.54 0.365 3.16 2 35.8 3.7
375 0 -3 7 40.777 81.554 0.365 3.16 2 73.7 15.9
376 -2 5 2 40.823 81.647 0.365 3.16 2 88.6 22.9
377 -2 3 5 40.829 81.659 0.365 3.16 2 44.2 5.7
378 0 5 0 40.875 81.749 0.366 3.15 2 8.3 0.2
379 3 -3 5 40.947 81.894 0.366 3.14 2 11.5 0.4
380 0 -1 7 41.023 82.046 0.367 3.14 2 27.3 2.2
381 -3 3 5 41.083 82.167 0.367 3.13 2 19.9 1.1
382 -2 -4 4 41.117 82.233 0.368 3.13 2 7.4 0.2
383 1 4 1 41.144 82.288 0.368 3.12 2 12.3 0.4
384 0 3 4 41.174 82.347 0.368 3.12 2 68.5 13.5
385 -2 0 7 41.175 82.35 0.368 3.12 2 36.5 3.8
386 0 1 6 41.179 82.358 0.368 3.12 2 84.2 20.4
387 -2 -4 2 41.242 82.485 0.369 3.11 2 4.8 0.1
388 -3 -3 3 41.245 82.49 0.369 3.11 2 45.1 5.8
389 -5 2 3 41.288 82.576 0.369 3.11 2 9.1 0.2
390 2 -6 2 41.309 82.618 0.369 3.11 2 107.8 33.4
391 -1 -3 7 41.322 82.643 0.369 3.1 2 5.3 0.1
392 -5 2 0 41.328 82.656 0.369 3.1 2 29.7 2.5
393 2 -2 6 41.35 82.701 0.369 3.1 2 62.7 11.3
394 2 0 5 41.354 82.708 0.369 3.1 2 8.0 0.2
395 -1 0 7 41.355 82.71 0.369 3.1 2 22.6 1.5
396 -2 -2 7 41.376 82.752 0.369 3.1 2 44.1 5.6
397 1 0 6 41.452 82.904 0.37 3.09 2 30.6 2.7
398 -3 -2 6 41.456 82.912 0.37 3.09 2 31.6 2.9
399 -2 2 6 41.459 82.918 0.37 3.09 2 63.9 11.7
400 -5 1 2 41.53 83.059 0.371 3.08 2 67.7 13.1
401 3 -4 5 41.656 83.312 0.372 3.07 2 42.6 5.2
402 1 3 3 41.756 83.511 0.372 3.06 2 12.2 0.4
403 -3 -3 4 41.757 83.515 0.372 3.06 2 18.1 0.9
404 2 2 3 41.764 83.529 0.372 3.06 2 55.6 8.7
405 3 2 1 41.78 83.56 0.372 3.06 2 10.2 0.3
406 2 -6 3 41.823 83.645 0.373 3.05 2 14.2 0.6
407 2 -4 6 41.825 83.65 0.373 3.05 2 77.9 17.1
408 -3 -3 2 41.874 83.747 0.373 3.05 2 4.9 0.1
409 -3 4 4 41.886 83.772 0.373 3.05 2 4.1 0.0
410 2 -6 1 41.936 83.873 0.374 3.04 2 9.9 0.3
411 -4 -1 5 41.956 83.911 0.374 3.04 2 15.1 0.6
412 -5 1 3 42.074 84.149 0.375 3.03 2 8.1 0.2
413 -5 1 1 42.125 84.249 0.375 3.03 2 28.8 2.3
414 -2 4 4 42.154 84.309 0.375 3.02 2 45.3 5.7
415 4 1 0 42.164 84.328 0.375 3.02 2 11.6 0.4
416 -5 4 0 42.191 84.382 0.375 3.02 2 26.6 2.0
417 -5 4 1 42.202 84.403 0.376 3.02 2 7.7 0.2
418 3 -2 5 42.216 84.432 0.376 3.02 2 46.6 6.1
419 -3 2 6 42.234 84.467 0.376 3.02 2 10.4 0.3
420 3 -6 2 42.307 84.614 0.376 3.01 2 7.7 0.2
421 -1 -5 3 42.327 84.654 0.376 3.01 2 12.0 0.4
422 3 -6 1 42.356 84.712 0.377 3.01 2 7.8 0.2
423 -5 3 3 42.477 84.954 0.377 3.0 2 13.1 0.5
424 5 -3 1 42.482 84.964 0.378 3.0 2 12.7 0.4
425 -2 -4 5 42.763 85.526 0.38 2.97 2 60.3 10.0
426 1 -3 7 42.809 85.619 0.38 2.97 2 53.7 7.9
427 1 -6 3 42.82 85.641 0.38 2.97 2 12.4 0.4
428 4 -5 3 42.822 85.644 0.38 2.97 2 7.4 0.2
429 -1 -5 4 42.828 85.656 0.38 2.97 2 20.1 1.1
430 1 -6 2 42.884 85.769 0.38 2.96 2 42.9 5.0
431 -1 -5 2 42.962 85.924 0.381 2.96 2 38.2 4.0
432 -4 5 2 42.972 85.944 0.381 2.96 2 8.1 0.2
433 -2 -4 1 43.013 86.026 0.381 2.95 2 33.2 3.0
434 1 -2 7 43.042 86.084 0.382 2.95 2 40.0 4.4
435 -1 3 5 43.15 86.3 0.382 2.94 2 53.6 7.8
436 1 -5 6 43.19 86.38 0.383 2.94 2 2.7 0.0
437 -1 2 6 43.256 86.512 0.383 2.93 2 32.2 2.8
438 5 -4 1 43.317 86.633 0.383 2.93 2 72.1 14.1
439 -5 4 2 43.348 86.697 0.384 2.93 2 2.9 0.0
440 3 -6 3 43.393 86.787 0.384 2.92 2 25.9 1.8
441 -3 -3 5 43.404 86.809 0.384 2.92 2 29.6 2.4
442 -4 0 6 43.437 86.874 0.384 2.92 2 26.4 1.9
443 2 -6 4 43.471 86.942 0.385 2.92 2 34.3 3.2
444 -4 1 6 43.52 87.039 0.385 2.92 2 37.4 3.8
445 -3 6 0 43.541 87.082 0.385 2.91 2 35.3 3.4
446 -5 2 4 43.55 87.1 0.385 2.91 2 23.8 1.5
447 -3 0 7 43.566 87.132 0.385 2.91 2 13.6 0.5
448 -1 5 2 43.607 87.215 0.386 2.91 2 26.6 1.9
449 0 -4 7 43.615 87.23 0.386 2.91 2 63.5 10.8
450 5 -2 1 43.616 87.232 0.386 2.91 2 43.7 5.1
451 -3 -3 1 43.636 87.272 0.386 2.91 2 0.5 0.0
452 4 0 2 43.674 87.348 0.386 2.91 2 20.7 1.2
453 4 -1 3 43.679 87.358 0.386 2.91 2 9.4 0.2
454 -2 6 0 43.697 87.395 0.386 2.9 2 10.0 0.3
455 -5 1 4 43.753 87.506 0.387 2.9 2 62.0 10.3
456 -3 -1 7 43.776 87.552 0.387 2.9 2 5.2 0.1
457 3 0 4 43.81 87.62 0.387 2.9 2 13.6 0.5
458 4 -3 4 43.85 87.7 0.387 2.89 2 49.4 6.5
459 -5 1 0 43.853 87.706 0.387 2.89 2 46.8 5.9
460 1 -6 4 43.891 87.782 0.388 2.89 2 28.9 2.2
461 -4 3 5 43.905 87.81 0.388 2.89 2 30.2 2.4
462 0 -5 6 43.93 87.859 0.388 2.89 2 3.7 0.0
463 -2 1 7 44.031 88.062 0.389 2.88 2 35.7 3.4
464 4 -4 4 44.04 88.079 0.389 2.88 2 22.4 1.3
465 2 -1 6 44.069 88.138 0.389 2.88 2 11.0 0.3
466 1 -6 1 44.083 88.166 0.389 2.88 2 14.6 0.6
467 0 4 3 44.091 88.182 0.389 2.88 2 33.0 2.9
468 0 0 7 44.102 88.203 0.389 2.88 2 80.9 17.4
469 3 1 3 44.117 88.234 0.389 2.88 2 51.7 7.1
470 -4 4 4 44.184 88.367 0.39 2.87 2 11.3 0.3
471 -4 -2 3 44.224 88.448 0.39 2.87 2 5.5 0.1
472 3 -5 5 44.33 88.66 0.391 2.86 2 36.5 3.5
473 0 5 1 44.346 88.692 0.391 2.86 2 11.2 0.3
474 -2 -3 7 44.429 88.859 0.391 2.86 2 51.5 7.0
475 -1 -5 5 44.462 88.924 0.392 2.86 2 62.8 10.4
476 1 -4 7 44.542 89.085 0.392 2.85 2 26.4 1.8
477 -3 5 3 44.628 89.256 0.393 2.85 2 13.1 0.4
478 -1 -5 1 44.73 89.459 0.393 2.84 2 2.0 0.0
479 -4 -2 4 44.737 89.475 0.393 2.84 2 19.0 0.9
480 -5 0 3 44.823 89.647 0.394 2.84 2 76.8 15.5
481 -4 -2 2 44.844 89.688 0.394 2.84 2 45.4 5.4
482 -5 0 2 44.86 89.721 0.394 2.84 2 5.8 0.1
483 2 3 2 44.884 89.767 0.394 2.83 2 53.5 7.5
484 -1 4 4 44.984 89.969 0.395 2.83 2 5.1 0.1
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 0 -1 1 7.475 14.949 6.87592 274.5 54.2 55.0 5.6
2 0 1 0 7.521 15.041 6.83414 61.4 12.1 12.3 5.6
3 -1 1 0 8.211 16.422 6.26293 35.8 7.1 7.2 5.6
4 1 0 0 8.593 17.187 5.98623 162.3 32.0 32.4 5.6
5 -1 1 1 10.034 20.069 5.13349 126.8 25.0 25.3 5.6
6 0 -1 2 11.011 22.023 4.68291 95.1 18.8 19.0 5.6
7 0 1 1 11.106 22.212 4.64345 12.8 2.5 2.6 5.6
8 0 0 2 11.469 22.938 4.49845 128.8 25.4 25.7 5.6
9 -1 0 2 11.803 23.605 4.37305 11.0 2.2 2.2 5.6
10 1 0 1 11.858 23.716 4.35295 68.9 13.6 13.7 5.6
11 -1 -1 1 12.695 25.39 4.07016 190.3 37.5 37.8 5.6
12 1 -2 1 13.238 26.477 3.90592 107.2 21.1 21.3 5.6
13 -1 -1 2 13.916 27.833 3.71911 26.4 5.2 5.2 5.6
14 0 -2 1 13.963 27.925 3.70701 16.1 3.2 3.2 5.6
15 1 -1 2 14.152 28.304 3.65844 16.6 3.3 3.3 5.6
16 -1 1 2 14.19 28.379 3.64887 19.9 3.9 4.0 5.6
17 0 -2 2 15.08 30.16 3.43796 254.6 50.2 50.4 5.6
18 0 2 0 15.175 30.349 3.41707 175.9 34.7 34.8 5.6
19 1 -2 2 15.556 31.113 3.33523 117.8 23.2 23.3 5.6
20 0 -1 3 15.982 31.964 3.24857 17.5 3.5 3.5 5.6
21 0 1 2 16.094 32.188 3.22656 316.9 62.5 62.7 5.6
22 -2 0 1 16.341 32.683 3.17907 72.9 14.4 14.4 5.6
23 -1 0 3 16.561 33.122 3.13809 12.2 2.4 2.4 5.6
24 -2 2 0 16.597 33.194 3.13147 48.3 9.5 9.5 5.6
25 1 0 2 16.628 33.257 3.12571 32.0 6.3 6.3 5.6
26 -1 -1 3 17.171 34.342 3.02976 55.0 10.9 10.9 5.7
27 2 -1 1 17.27 34.54 3.01291 506.9 100.0 100.0 5.7
28 1 1 1 17.307 34.615 3.00662 113.8 22.5 22.5 5.7
29 -2 0 2 17.336 34.672 3.0018 119.8 23.6 23.6 5.7
30 2 -2 1 17.589 35.178 2.95999 33.2 6.6 6.6 5.7
31 -2 2 1 17.62 35.24 2.95491 12.1 2.4 2.4 5.7
32 0 2 1 18.3 36.599 2.84873 174.9 34.5 34.4 5.7
33 -1 -2 2 19.196 38.392 2.7204 17.0 3.3 3.3 5.7
34 1 -3 1 19.272 38.545 2.70999 13.9 2.7 2.7 5.7
35 -1 1 3 19.332 38.664 2.70195 72.3 14.3 14.2 5.7
36 1 -2 3 19.477 38.954 2.68262 102.2 20.2 20.1 5.7
37 -1 2 2 19.607 39.214 2.66553 31.2 6.2 6.1 5.7
38 -2 0 3 20.107 40.214 2.60186 89.7 17.7 17.6 5.7
39 -1 3 0 20.208 40.415 2.58945 24.3 4.8 4.8 5.7
40 2 -2 2 20.339 40.678 2.57341 89.2 17.6 17.5 5.7
41 -2 2 2 20.394 40.789 2.56674 17.5 3.4 3.4 5.7
42 -2 -1 2 20.605 41.211 2.5416 7.9 1.6 1.5 5.7
43 -2 -1 1 20.646 41.292 2.53683 64.9 12.8 12.7 5.7
44 -2 1 3 20.918 41.836 2.50529 73.5 14.5 14.4 5.7
45 2 -3 1 21.028 42.056 2.49275 11.0 2.2 2.2 5.7
46 -2 3 0 21.059 42.118 2.48923 126.9 25.0 24.8 5.7
47 0 -3 2 21.402 42.803 2.45122 210.8 41.6 41.3 5.7
48 0 -3 1 21.454 42.908 2.4455 19.1 3.8 3.7 5.7
49 0 -1 4 21.549 43.098 2.43523 28.7 5.7 5.6 5.7
50 -1 -1 4 21.661 43.321 2.42329 67.7 13.4 13.2 5.7
51 -1 0 4 22.007 44.015 2.38697 35.8 7.1 7.0 5.7
52 1 0 3 22.082 44.163 2.37933 11.4 2.2 2.2 5.7
53 2 1 0 22.346 44.692 2.3526 18.4 3.6 3.6 5.7
54 1 -3 3 22.584 45.169 2.32906 10.3 2.0 2.0 5.7
55 2 -3 2 22.638 45.277 2.3238 8.7 1.7 1.7 5.7
56 0 3 0 23.119 46.238 2.27805 23.0 4.5 4.5 5.7
57 0 0 4 23.433 46.866 2.24922 12.8 2.5 2.5 5.7
58 -2 0 4 24.147 48.294 2.18652 37.1 7.3 7.2 5.7
59 2 -2 3 24.356 48.711 2.16891 14.0 2.8 2.7 5.7
60 -2 2 3 24.427 48.855 2.16293 15.2 3.0 3.0 5.7
61 -3 2 2 24.724 49.447 2.13862 20.6 4.1 4.0 5.7
62 -2 -1 4 25.27 50.539 2.09534 17.7 3.5 3.4 5.8
63 2 -1 3 25.628 51.256 2.068 79.2 15.6 15.4 5.8
64 -2 3 2 25.78 51.56 2.05662 16.1 3.2 3.1 5.8
65 -3 1 3 25.842 51.684 2.05202 17.3 3.4 3.4 5.8
66 -2 -2 2 26.073 52.147 2.03508 25.9 5.1 5.0 5.8
67 -3 3 1 26.111 52.221 2.03238 13.0 2.6 2.5 5.8
68 1 -4 2 26.493 52.986 2.00511 18.9 3.7 3.7 5.8
69 -1 -3 1 26.798 53.597 1.98393 7.6 1.5 1.5 5.8
70 -2 -2 1 26.832 53.663 1.98165 75.3 14.9 14.5 5.8
71 -2 4 0 27.339 54.677 1.94766 39.0 7.7 7.5 5.8
72 0 -1 5 27.539 55.079 1.93457 44.2 8.7 8.5 5.8
73 3 -2 2 27.58 55.159 1.93197 14.0 2.8 2.7 5.8
74 0 1 4 27.67 55.339 1.92617 15.0 3.0 2.9 5.8
75 1 -4 3 27.838 55.676 1.91544 7.0 1.4 1.3 5.8
76 -3 3 2 28.219 56.438 1.89166 9.0 1.8 1.7 5.8
77 1 2 2 28.583 57.166 1.86958 5.2 1.0 1.0 5.8
78 -1 -3 4 28.703 57.407 1.86239 10.6 2.1 2.0 5.8
79 -2 -2 4 28.751 57.502 1.85956 29.9 5.9 5.8 5.8
80 1 3 0 28.907 57.815 1.85036 8.7 1.7 1.7 5.8
81 -3 -1 2 28.965 57.929 1.84703 10.8 2.1 2.1 5.8
82 -2 0 5 29.083 58.167 1.84014 13.4 2.6 2.6 5.8
83 2 0 3 29.222 58.445 1.83215 54.5 10.8 10.5 5.8
84 2 -4 3 29.256 58.513 1.83021 40.2 7.9 7.7 5.8
85 -2 2 4 29.358 58.716 1.82443 69.0 13.6 13.2 5.8
86 3 0 1 29.392 58.783 1.82255 43.0 8.5 8.2 5.8
87 0 -4 1 29.574 59.149 1.81228 20.8 4.1 4.0 5.8
88 2 1 2 29.623 59.246 1.80958 7.3 1.4 1.4 5.8
89 -3 4 0 29.755 59.51 1.80229 8.2 1.6 1.6 5.8
90 0 0 5 29.808 59.616 1.79938 25.4 5.0 4.9 5.8
91 0 -3 5 29.993 59.986 1.78929 12.4 2.4 2.4 5.8
92 0 3 2 30.281 60.561 1.77389 7.3 1.4 1.4 5.8
93 1 -4 4 30.454 60.909 1.76473 16.1 3.2 3.1 5.8
94 -4 2 1 30.871 61.742 1.74321 123.5 24.4 23.6 5.8
95 1 -3 5 30.99 61.98 1.73719 10.8 2.1 2.1 5.8
96 1 -1 5 31.119 62.239 1.73069 18.8 3.7 3.6 5.8
97 -1 3 3 31.246 62.492 1.72439 14.4 2.8 2.8 5.8
98 0 -4 4 31.355 62.711 1.71898 10.7 2.1 2.0 5.8
99 3 -3 3 31.424 62.848 1.71561 30.7 6.1 5.9 5.9
100 -3 -1 4 31.491 62.982 1.71233 30.4 6.0 5.8 5.9
101 0 4 0 31.569 63.138 1.70853 29.9 5.9 5.7 5.9
102 -4 1 1 31.823 63.645 1.69633 22.9 4.5 4.4 5.9
103 -2 -2 5 31.955 63.911 1.69002 37.5 7.4 7.1 5.9
104 2 2 1 32.213 64.425 1.67797 16.6 3.3 3.2 5.9
105 2 -4 4 32.437 64.874 1.66761 33.0 6.5 6.3 5.9
106 -2 4 2 32.654 65.308 1.65775 16.2 3.2 3.1 5.9
107 -4 1 3 33.035 66.07 1.64076 7.8 1.5 1.5 5.9
108 -4 3 2 33.377 66.754 1.62586 10.2 2.0 1.9 5.9
109 -3 1 5 33.725 67.45 1.61104 6.5 1.3 1.2 5.9
110 0 -1 6 33.982 67.964 1.6003 14.1 2.8 2.7 5.9
111 -2 -3 4 34.128 68.256 1.59428 10.0 2.0 1.9 5.9
112 1 -4 5 34.173 68.346 1.59243 6.2 1.2 1.2 5.9
113 -2 -1 6 34.43 68.86 1.58201 5.8 1.1 1.1 5.9
114 1 -5 3 34.628 69.255 1.57408 7.4 1.5 1.4 5.9
115 2 -5 3 34.733 69.466 1.5699 12.9 2.5 2.4 5.9
116 3 1 1 34.772 69.544 1.56836 11.6 2.3 2.2 5.9
117 -4 0 3 34.819 69.637 1.56653 9.0 1.8 1.7 5.9
118 -2 5 0 34.876 69.752 1.56427 23.6 4.7 4.5 5.9
119 2 0 4 34.913 69.825 1.56285 26.1 5.1 4.9 5.9
120 -2 2 5 35.03 70.059 1.55829 24.0 4.7 4.5 5.9
121 3 -5 1 35.23 70.459 1.55058 10.9 2.2 2.1 5.9
122 0 3 3 35.302 70.604 1.54782 16.1 3.2 3.0 5.9
123 4 -4 1 35.422 70.843 1.54327 30.5 6.0 5.7 5.9
124 -4 1 4 35.451 70.903 1.54214 12.9 2.5 2.4 5.9
125 4 -1 1 35.545 71.09 1.53861 16.3 3.2 3.1 5.9
126 3 -5 2 35.789 71.578 1.5295 7.1 1.4 1.3 5.9
127 -3 3 4 35.829 71.659 1.52802 19.8 3.9 3.7 5.9
128 -1 -3 6 36.137 72.274 1.51675 14.1 2.8 2.6 5.9
129 -2 -2 6 36.189 72.378 1.51488 5.8 1.1 1.1 5.9
130 -1 2 5 36.312 72.624 1.51044 13.1 2.6 2.5 6.0
131 1 -5 4 36.37 72.74 1.50838 7.7 1.5 1.5 6.0
132 1 3 2 36.498 72.997 1.5038 26.5 5.2 5.0 6.0
133 0 0 6 36.621 73.241 1.49948 20.0 3.9 3.7 6.0
134 4 0 0 36.704 73.408 1.49656 5.6 1.1 1.0 6.0
135 -2 4 3 36.923 73.846 1.48893 5.4 1.1 1.0 6.0
136 -2 1 6 37.14 74.281 1.48146 12.2 2.4 2.3 6.0
137 2 -1 5 37.173 74.347 1.48033 6.9 1.4 1.3 6.0
138 -3 4 3 37.242 74.484 1.47801 38.6 7.6 7.2 6.0
139 3 -5 3 37.524 75.048 1.46851 24.0 4.7 4.5 6.0
140 1 4 0 37.622 75.243 1.46526 6.7 1.3 1.3 6.0
141 -3 0 6 37.852 75.703 1.45768 13.3 2.6 2.5 6.0
142 -3 -2 5 38.045 76.09 1.45139 19.8 3.9 3.7 6.0
143 3 2 0 38.281 76.563 1.44378 5.8 1.2 1.1 6.0
144 0 -5 4 38.326 76.651 1.44238 18.0 3.5 3.3 6.0
145 0 -4 6 38.511 77.021 1.43651 42.3 8.3 7.9 6.0
146 -4 -1 3 38.593 77.186 1.43392 39.2 7.7 7.3 6.0
147 3 1 2 38.941 77.883 1.42311 15.7 3.1 2.9 6.0
148 -1 4 3 39.242 78.485 1.41394 7.1 1.4 1.3 6.0
149 4 -3 3 39.288 78.576 1.41256 7.9 1.6 1.5 6.0
150 4 -5 1 39.451 78.903 1.40766 16.1 3.2 3.0 6.0
151 4 0 1 39.649 79.299 1.40178 12.1 2.4 2.2 6.0
152 0 -2 7 39.906 79.812 1.39427 18.6 3.7 3.4 6.0
153 0 2 5 40.196 80.391 1.3859 19.0 3.8 3.5 6.0
154 2 3 1 40.281 80.562 1.38346 46.1 9.1 8.5 6.1
155 -2 -4 3 40.607 81.215 1.37425 56.7 11.2 10.4 6.1
156 -4 5 1 40.662 81.324 1.37273 7.0 1.4 1.3 6.1
157 0 -3 7 40.777 81.554 1.36952 28.9 5.7 5.3 6.1
158 -2 5 2 40.823 81.647 1.36824 28.6 5.6 5.3 6.1
159 0 1 6 41.179 82.358 1.35851 37.8 7.5 6.9 6.1
160 -3 -3 3 41.245 82.49 1.35672 5.8 1.2 1.1 6.1
161 2 -6 2 41.309 82.618 1.35499 36.0 7.1 6.6 6.1
162 2 -2 6 41.35 82.701 1.35389 18.5 3.6 3.4 6.1
163 -2 2 6 41.459 82.918 1.35097 17.2 3.4 3.2 6.1
164 -5 1 2 41.53 83.059 1.34909 13.1 2.6 2.4 6.1
165 3 -4 5 41.656 83.312 1.34574 5.2 1.0 0.9 6.1
166 2 2 3 41.764 83.529 1.3429 9.0 1.8 1.7 6.1
167 2 -4 6 41.825 83.65 1.34131 17.1 3.4 3.1 6.1
168 -2 4 4 42.154 84.309 1.33276 8.1 1.6 1.5 6.1
169 3 -2 5 42.216 84.432 1.33119 8.2 1.6 1.5 6.1
170 -2 -4 5 42.763 85.526 1.31739 10.0 2.0 1.8 6.1
171 1 -3 7 42.809 85.619 1.31623 9.6 1.9 1.7 6.1
172 1 -2 7 43.042 86.084 1.31049 7.4 1.5 1.3 6.1
173 -1 3 5 43.15 86.3 1.30787 7.8 1.5 1.4 6.1
174 5 -4 1 43.317 86.633 1.30382 14.1 2.8 2.6 6.1
175 -4 1 6 43.52 87.039 1.29895 8.7 1.7 1.6 6.1
176 5 -2 1 43.616 87.232 1.29666 17.9 3.5 3.2 6.2
177 -5 1 4 43.753 87.506 1.29342 10.4 2.0 1.9 6.2
178 4 -3 4 43.85 87.7 1.29113 12.4 2.4 2.2 6.2
179 3 1 3 44.117 88.234 1.28491 27.4 5.4 5.0 6.2
180 -2 -3 7 44.429 88.859 1.27775 7.0 1.4 1.3 6.2
181 -1 -5 5 44.462 88.924 1.277 10.4 2.1 1.9 6.2
182 -5 0 3 44.823 89.647 1.26888 20.9 4.1 3.8 6.2
183 2 3 2 44.884 89.767 1.26754 7.5 1.5 1.4 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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