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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FAIRFIELDITE
3, t-fairfieldite, analogue
K(2)Mg[MoO(4)](2).2H(2)O
Triclinic P 1(-) Z = 1
P1(-)
24 .2 .14
Ref.Str.:
Fleck M., Kolitsch U. (2003)
* Z. Kristallogr., 218, 553-567
R: In original - synthetic compounds with krohnkite-type chains.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.884 alpha = 111.67
b = 6.491 beta = 96.59
c = 7.7 gamma = 108.62
Unit cell volume (cub. angs.) = 249.79
Molar volume ( cub.cm/mol.) = 150.46
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6742 0.2984 0.7556 0.0 K = 1.00
2 0.0 0.0 0.0 0.0 Mg = 1.00
3 0.6646 0.3308 0.2372 0.0 Mo = 1.00
4 0.6384 0.174 0.3795 0.0 O = 1.00
5 0.7571 0.6384 0.3789 0.0 O = 1.00
6 0.3722 0.2359 0.0754 0.0 O = 1.00
7 0.8889 0.2895 0.1055 0.0 O = 1.00
8 0.9537 0.0151 0.7339 0.0 H(2)O = 1.00
9 0.033 0.091 0.722 0.0 H = 1.00
10 0.912 0.932 0.672 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6742 0.2984 0.7556
2 2 0.0 0.0 0.0
3 3 0.6646 0.3308 0.2372
4 4 0.6384 0.174 0.3795
5 5 0.7571 0.6384 0.3789
6 6 0.3722 0.2359 0.0754
7 7 0.8889 0.2895 0.1055
8 8 0.9537 0.0151 0.7339
9 9 0.033 0.091 0.722
10 10 0.912 0.932 0.672
11 1 0.3258 0.7016 0.2444
12 3 0.3354 0.6692 0.7628
13 4 0.3616 0.826 0.6205
14 5 0.2429 0.3616 0.6211
15 6 0.6278 0.7641 0.9246
16 7 0.1111 0.7105 0.8945
17 8 0.0463 0.9849 0.2661
18 9 0.967 0.909 0.278
19 10 0.088 0.068 0.328
X-ray density (g/cm cub.) = 3.07
MU (1/cm) = 299.662 Mass attenuation coefficient (cm**2/g) = 97.512
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.396 8
2.6658 4
3.2662 6
2.8706 7
2.8078 8
2.7336 4
2.838 5
2.9338 6
2.7879 7
2 Mg 2.688 6
2.0948 6
2.097 7
2.0783 8
2.0948 6
2.097 7
2.0783 8
3 Mo 2.616 4
1.7386 4
1.7421 5
1.7763 6
1.7817 7
4 O 3.432 7
2.8707 5
2.8901 6
2.8917 7
3.4114 5
3.3896 5
3.0984 8
3.1916 8
5 O 3.432 7
2.8707 4
2.8132 6
2.8526 7
2.7057 8
3.4114 4
3.3896 4
2.8366 8
6 O 3.432 7
2.8901 4
2.8132 5
2.9191 7
2.9975 7
2.917 8
2.9302 7
2.9843 8
7 O 3.432 7
2.8917 4
2.8526 5
2.9975 6
2.9191 6
2.9026 8
2.9302 6
3.0014 8
8 H(2)O 3.6 8
2.7057 5
2.917 6
2.9026 7
3.0984 4
3.1916 4
2.8366 5
2.9843 6
3.0014 7
9 H 1.8 1
0.6043 8
10 H 1.8 1
0.5264 8
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 0 0 1 6.408 12.816 0.072 157.59 2 19.7 195.7
2 0 -1 1 7.788 15.575 0.088 105.98 2 55.4 1040.8
3 0 1 0 7.978 15.955 0.09 100.89 2 24.8 198.3
4 1 0 0 8.235 16.47 0.093 94.55 2 35.4 379.1
5 -1 1 0 8.95 17.9 0.101 79.71 2 41.3 436.6
6 -1 0 1 9.01 18.02 0.102 78.62 2 38.9 381.3
7 1 -1 1 10.264 20.527 0.116 60.09 2 50.3 486.9
8 1 0 1 11.743 23.485 0.132 45.4 2 57.4 479.1
9 -1 1 1 11.764 23.529 0.132 45.23 2 60.2 525.3
10 0 -1 2 11.879 23.758 0.134 44.32 2 69.6 688.1
11 0 1 1 12.258 24.516 0.138 41.5 2 41.9 233.8
12 -1 -1 1 12.385 24.771 0.139 40.6 2 20.9 56.9
13 0 0 2 12.898 25.796 0.145 37.28 2 95.7 1093.5
14 -1 0 2 13.367 26.734 0.15 34.57 2 55.8 344.5
15 1 1 0 13.608 27.215 0.153 33.29 2 116.1 1439.0
16 1 -2 1 14.251 28.502 0.16 30.17 2 24.2 56.4
17 -1 -1 2 14.367 28.734 0.161 29.66 2 100.5 960.6
18 0 -2 1 14.512 29.023 0.163 29.03 2 40.7 154.2
19 1 -1 2 14.678 29.356 0.164 28.33 2 58.2 307.1
20 -1 2 0 14.934 29.868 0.167 27.3 2 108.8 1035.2
21 -2 1 0 15.361 30.722 0.172 25.7 2 112.7 1046.5
22 0 -2 2 15.724 31.448 0.176 24.44 2 12.7 12.6
23 0 2 0 16.115 32.231 0.18 23.18 2 69.1 355.2
24 -2 0 1 16.177 32.355 0.181 22.99 2 53.2 208.7
25 -2 1 1 16.334 32.668 0.183 22.51 2 21.1 32.1
26 1 -2 2 16.398 32.797 0.183 22.32 2 81.7 477.0
27 2 0 0 16.646 33.292 0.186 21.61 2 40.5 113.8
28 -1 1 2 16.832 33.664 0.188 21.09 2 49.3 164.2
29 2 -1 1 17.07 34.14 0.191 20.46 2 16.4 17.7
30 1 0 2 17.179 34.358 0.192 20.18 2 29.0 54.3
31 1 1 1 17.419 34.838 0.194 19.57 2 7.3 3.3
32 0 -1 3 17.587 35.174 0.196 19.17 2 17.2 18.2
33 0 1 2 18.03 36.061 0.201 18.15 2 10.5 6.4
34 -2 2 0 18.128 36.256 0.202 17.94 2 0.4 0.0
35 -1 2 1 18.16 36.32 0.202 17.87 2 34.2 67.1
36 -2 0 2 18.253 36.506 0.203 17.67 2 21.0 25.0
37 2 -2 1 18.381 36.763 0.205 17.4 2 2.3 0.3
38 -1 -1 3 18.63 37.26 0.207 16.89 2 16.5 14.8
39 -1 -2 1 19.001 38.002 0.211 16.17 2 15.5 12.5
40 -1 0 3 19.12 38.24 0.213 15.95 2 27.4 38.3
41 -1 -2 2 19.206 38.412 0.214 15.79 2 32.8 54.6
42 0 -2 3 19.279 38.558 0.214 15.66 2 72.8 266.1
43 2 0 1 19.498 38.997 0.217 15.27 2 21.0 21.7
44 0 0 3 19.562 39.124 0.217 15.16 2 6.4 2.0
45 -2 1 2 19.636 39.272 0.218 15.04 2 99.3 475.4
46 -2 -1 1 19.794 39.588 0.22 14.77 2 7.4 2.6
47 0 2 1 19.932 39.865 0.221 14.55 2 22.7 24.0
48 -2 2 1 20.187 40.374 0.224 14.14 2 6.5 1.9
49 1 -1 3 20.407 40.813 0.226 13.8 2 54.6 132.0
50 -2 -1 2 20.426 40.852 0.227 13.77 2 39.4 68.7
51 1 -2 3 20.593 41.187 0.228 13.53 2 28.1 34.3
52 2 -2 2 20.876 41.753 0.231 13.12 2 27.9 32.7
53 2 -1 2 20.883 41.767 0.231 13.11 2 94.3 373.4
54 1 -3 1 20.961 41.923 0.232 13.0 2 26.6 29.6
55 1 2 0 21.024 42.049 0.233 12.91 2 2.6 0.3
56 2 1 0 21.344 42.688 0.236 12.48 2 15.8 10.0
57 1 -3 2 21.449 42.899 0.237 12.35 2 36.0 51.2
58 -1 -2 3 21.585 43.17 0.239 12.17 2 2.9 0.3
59 0 -3 2 22.222 44.445 0.245 11.4 2 89.5 292.5
60 -2 0 3 22.259 44.519 0.246 11.36 2 36.5 48.6
61 0 -3 1 22.443 44.885 0.248 11.15 2 13.4 6.4
62 -1 3 0 22.557 45.113 0.249 11.02 2 10.3 3.7
63 1 1 2 22.689 45.378 0.25 10.88 2 96.4 324.0
64 -1 1 3 22.87 45.74 0.252 10.69 2 4.5 0.7
65 2 -3 1 22.886 45.772 0.252 10.67 2 15.8 8.6
66 -1 2 2 23.008 46.017 0.254 10.54 2 88.0 261.6
67 -2 -1 3 23.092 46.184 0.255 10.45 2 52.6 92.7
68 -3 1 0 23.356 46.713 0.257 10.19 2 27.5 24.8
69 -3 1 1 23.394 46.787 0.258 10.15 2 18.1 10.7
70 1 0 3 23.419 46.837 0.258 10.13 2 1.3 0.1
71 -2 3 0 23.731 47.463 0.261 9.83 2 29.9 28.2
72 1 -3 3 23.918 47.837 0.263 9.65 2 6.9 1.5
73 0 -1 4 23.977 47.954 0.264 9.6 2 15.4 7.3
74 0 -3 3 23.986 47.971 0.264 9.59 2 37.8 43.8
75 2 -3 2 24.0 48.0 0.264 9.58 2 44.8 61.6
76 2 0 2 24.018 48.037 0.264 9.56 2 60.8 113.2
77 -2 2 2 24.065 48.13 0.265 9.52 2 32.5 32.1
78 -1 -1 4 24.154 48.309 0.266 9.44 2 99.4 298.7
79 -3 2 0 24.215 48.43 0.266 9.39 2 34.4 35.7
80 0 -2 4 24.311 48.623 0.267 9.3 2 5.2 0.8
81 0 1 3 24.46 48.92 0.269 9.17 2 27.4 22.1
82 -2 1 3 24.478 48.955 0.269 9.16 2 7.7 1.7
83 -3 0 1 24.483 48.967 0.269 9.15 2 13.0 4.9
84 0 3 0 24.605 49.21 0.27 9.05 2 97.8 277.4
85 2 1 1 24.743 49.485 0.272 8.94 2 38.4 42.3
86 1 2 1 24.829 49.659 0.273 8.87 2 38.4 41.8
87 3 -2 1 25.053 50.105 0.275 8.69 2 41.1 47.0
88 2 -2 3 25.063 50.126 0.275 8.68 2 17.4 8.5
89 0 2 2 25.127 50.254 0.276 8.63 2 67.4 125.8
90 3 -1 1 25.224 50.448 0.277 8.55 2 38.0 39.7
91 -3 2 1 25.258 50.515 0.277 8.53 2 50.2 68.8
92 -3 1 2 25.33 50.659 0.278 8.47 2 46.1 57.7
93 -3 0 2 25.385 50.77 0.278 8.43 2 85.6 198.2
94 -2 -2 2 25.402 50.805 0.278 8.42 2 52.8 75.3
95 3 0 0 25.448 50.896 0.279 8.38 2 104.7 294.4
96 -1 0 4 25.551 51.102 0.28 8.31 2 2.7 0.2
97 -1 -2 4 25.65 51.299 0.281 8.23 2 42.5 47.6
98 -2 -2 1 25.861 51.721 0.283 8.08 2 18.6 9.0
99 -1 3 1 25.932 51.863 0.284 8.03 2 27.1 19.0
100 1 -2 4 26.034 52.069 0.285 7.96 2 100.9 259.7
101 2 -1 3 26.052 52.104 0.285 7.95 2 3.3 0.3
102 -1 -3 2 26.088 52.177 0.285 7.92 2 44.9 51.3
103 -2 3 1 26.393 52.786 0.289 7.72 2 59.7 88.1
104 0 0 4 26.515 53.031 0.29 7.64 2 66.1 107.0
105 -2 -2 3 26.757 53.515 0.292 7.48 2 9.8 2.3
106 1 -1 4 26.841 53.681 0.293 7.43 2 13.1 4.1
107 -1 -3 1 26.888 53.777 0.294 7.4 2 31.1 22.9
108 2 -3 3 26.888 53.777 0.294 7.4 2 73.4 127.8
109 -1 -3 3 27.074 54.147 0.295 7.28 2 53.9 67.7
110 -2 -1 4 27.329 54.659 0.298 7.13 2 20.0 9.1
111 0 -3 4 27.441 54.882 0.299 7.06 2 71.4 115.3
112 -2 0 4 27.541 55.081 0.3 7.0 2 39.4 34.9
113 3 -2 2 27.646 55.292 0.301 6.94 2 41.6 38.5
114 3 -3 1 27.662 55.325 0.301 6.93 2 18.5 7.6
115 -3 3 0 27.821 55.641 0.303 6.84 2 67.9 101.3
116 1 -3 4 27.968 55.937 0.304 6.76 2 31.8 22.0
117 -3 0 3 28.022 56.045 0.305 6.73 2 1.4 0.0
118 -3 2 2 28.028 56.056 0.305 6.73 2 56.8 69.6
119 2 2 0 28.069 56.139 0.305 6.71 2 85.0 155.4
120 3 0 1 28.14 56.28 0.306 6.67 2 8.3 1.5
121 -3 -1 2 28.183 56.366 0.307 6.65 2 44.6 42.4
122 -3 -1 1 28.274 56.548 0.307 6.6 2 33.2 23.3
123 0 3 1 28.377 56.755 0.309 6.54 2 17.1 6.1
124 1 -4 2 28.403 56.806 0.309 6.53 2 52.8 58.4
125 3 -1 2 28.724 57.447 0.312 6.37 2 29.2 17.5
126 1 1 3 28.853 57.707 0.313 6.3 2 6.0 0.7
127 -1 2 3 28.884 57.768 0.314 6.29 2 4.8 0.5
128 -3 1 3 28.885 57.769 0.314 6.29 2 23.1 10.8
129 1 -4 1 28.921 57.843 0.314 6.27 2 59.1 70.2
130 3 -3 2 29.211 58.422 0.317 6.13 2 52.2 53.4
131 -2 2 3 29.225 58.451 0.317 6.12 2 57.1 63.9
132 1 3 0 29.374 58.748 0.318 6.05 2 27.7 14.9
133 2 -4 1 29.439 58.878 0.319 6.02 2 28.7 15.9
134 2 -4 2 29.495 58.989 0.32 6.0 2 55.9 60.1
135 2 1 2 29.521 59.043 0.32 5.99 2 62.3 74.4
136 -1 1 4 29.545 59.09 0.32 5.97 2 30.4 17.7
137 1 -4 3 29.572 59.144 0.32 5.96 2 71.4 97.3
138 2 0 3 29.658 59.316 0.321 5.92 2 53.2 53.8
139 -3 3 1 29.668 59.337 0.321 5.92 2 13.1 3.2
140 -1 -3 4 29.723 59.446 0.322 5.89 2 23.6 10.6
141 -2 -2 4 29.753 59.507 0.322 5.88 2 105.9 211.4
142 -3 -1 3 29.777 59.554 0.322 5.87 2 7.9 1.2
143 1 2 2 29.925 59.849 0.324 5.81 2 27.6 14.2
144 3 1 0 30.041 60.082 0.325 5.76 2 5.5 0.6
145 0 -4 2 30.076 60.153 0.325 5.74 2 42.2 32.8
146 1 0 4 30.238 60.476 0.327 5.67 2 38.3 26.7
147 0 -2 5 30.322 60.645 0.328 5.64 2 42.6 32.7
148 -2 1 4 30.352 60.704 0.328 5.63 2 85.6 132.2
149 2 -2 4 30.449 60.899 0.329 5.59 2 46.5 38.6
150 -1 -1 5 30.51 61.02 0.33 5.56 2 26.4 12.4
151 -2 3 2 30.536 61.073 0.33 5.55 2 70.8 89.2
152 0 -4 3 30.658 61.316 0.331 5.5 2 21.0 7.8
153 -1 3 2 30.672 61.344 0.331 5.5 2 12.1 2.6
154 0 -1 5 30.911 61.821 0.333 5.4 2 17.6 5.3
155 -1 -2 5 30.939 61.877 0.334 5.39 2 27.0 12.6
156 -2 4 0 31.025 62.05 0.335 5.36 2 75.0 96.6
157 -1 4 0 31.074 62.148 0.335 5.34 2 35.8 21.9
158 0 -4 1 31.127 62.253 0.336 5.32 2 42.7 31.0
159 2 -4 3 31.187 62.373 0.336 5.3 2 4.2 0.3
160 2 -3 4 31.213 62.426 0.336 5.29 2 26.8 12.1
161 0 2 3 31.261 62.523 0.337 5.27 2 25.6 11.1
162 0 1 4 31.435 62.871 0.339 5.2 2 12.0 2.4
163 3 -2 3 31.706 63.412 0.341 5.11 2 60.8 60.5
164 -4 1 1 31.771 63.542 0.342 5.09 2 67.3 73.8
165 2 2 1 31.787 63.573 0.342 5.08 2 6.7 0.7
166 -4 2 0 31.992 63.983 0.344 5.01 2 95.5 146.3
167 -3 0 4 32.113 64.225 0.345 4.97 2 83.3 110.5
168 2 -1 4 32.179 64.357 0.346 4.95 2 76.9 93.7
169 0 -3 5 32.229 64.457 0.346 4.93 2 29.6 13.9
170 -3 2 3 32.232 64.465 0.346 4.93 2 31.9 16.1
171 -2 -3 2 32.251 64.502 0.346 4.92 2 22.9 8.3
172 3 0 2 32.275 64.55 0.347 4.91 2 60.3 57.3
173 -4 1 0 32.279 64.558 0.347 4.91 2 43.3 29.5
174 3 -3 3 32.312 64.624 0.347 4.9 2 26.9 11.4
175 1 -4 4 32.315 64.631 0.347 4.9 2 28.7 12.9
176 -4 2 1 32.334 64.668 0.347 4.89 2 15.8 3.9
177 1 -2 5 32.36 64.721 0.347 4.89 2 32.8 16.9
178 -1 0 5 32.564 65.127 0.349 4.82 2 24.3 9.1
179 -2 -3 3 32.588 65.176 0.35 4.81 2 21.2 6.9
180 3 -4 1 32.601 65.202 0.35 4.81 2 20.3 6.3
181 -2 -1 5 32.749 65.498 0.351 4.76 2 51.2 40.0
182 0 -4 4 32.821 65.641 0.352 4.74 2 10.3 1.6
183 -4 1 2 32.845 65.691 0.352 4.73 2 52.4 41.6
184 -3 -1 4 32.906 65.813 0.353 4.71 2 41.6 26.1
185 -3 3 2 33.03 66.06 0.354 4.68 2 81.3 99.0
186 3 -4 2 33.184 66.368 0.355 4.63 2 22.6 7.6
187 4 -2 1 33.224 66.448 0.356 4.62 2 27.8 11.4
188 1 -3 5 33.238 66.476 0.356 4.61 2 19.9 5.9
189 -3 -2 2 33.264 66.528 0.356 4.61 2 33.9 17.0
190 1 3 1 33.309 66.618 0.356 4.59 2 46.2 31.4
191 3 1 1 33.322 66.644 0.357 4.59 2 36.6 19.7
192 0 3 2 33.419 66.837 0.358 4.56 2 61.7 55.6
193 -2 -3 1 33.483 66.966 0.358 4.54 2 21.7 6.9
194 3 -1 3 33.537 67.074 0.359 4.53 2 6.5 0.6
195 -3 4 0 33.58 67.16 0.359 4.51 2 9.4 1.3
196 -4 0 1 33.641 67.283 0.36 4.5 2 27.0 10.5
197 0 4 0 33.721 67.442 0.36 4.48 2 1.6 0.0
198 -3 1 4 33.743 67.487 0.361 4.47 2 2.6 0.1
199 -2 0 5 33.772 67.544 0.361 4.46 2 5.7 0.5
200 -1 -3 5 33.797 67.594 0.361 4.45 2 42.9 26.3
201 -4 0 2 33.864 67.728 0.362 4.44 2 25.0 8.9
202 1 -1 5 33.899 67.798 0.362 4.43 2 38.5 21.0
203 -3 -2 3 33.9 67.8 0.362 4.43 2 41.3 24.2
204 0 0 5 33.921 67.842 0.362 4.42 2 25.9 9.5
205 -2 4 1 34.12 68.24 0.364 4.37 2 9.8 1.3
206 -4 3 0 34.123 68.247 0.364 4.37 2 0.8 0.0
207 -2 -2 5 34.129 68.258 0.364 4.36 2 44.2 27.3
208 -3 -2 1 34.175 68.35 0.365 4.35 2 15.1 3.2
209 -4 2 2 34.227 68.453 0.365 4.34 2 59.2 48.7
210 -1 -4 2 34.27 68.541 0.366 4.33 2 68.5 65.1
211 -1 -4 3 34.295 68.591 0.366 4.32 2 5.2 0.4
212 4 -1 1 34.332 68.664 0.366 4.31 2 42.5 25.0
213 2 -4 4 34.376 68.753 0.367 4.3 2 76.7 81.0
214 -2 -3 4 34.469 68.938 0.367 4.28 2 9.2 1.2
215 4 -3 1 34.503 69.006 0.368 4.27 2 16.0 3.5
216 -1 4 1 34.686 69.371 0.369 4.22 2 35.8 17.3
217 4 0 0 34.954 69.908 0.372 4.16 2 37.5 18.7
218 -4 3 1 35.271 70.541 0.375 4.08 2 25.2 8.3
219 3 -4 3 35.29 70.58 0.375 4.08 2 9.5 1.2
220 2 1 3 35.386 70.772 0.376 4.05 2 17.1 3.8
221 -2 2 4 35.39 70.78 0.376 4.05 2 1.6 0.0
222 -4 1 3 35.428 70.856 0.376 4.04 2 10.0 1.3
223 -1 2 4 35.596 71.191 0.378 4.01 2 86.3 95.6
224 -4 0 3 35.608 71.215 0.378 4.0 2 31.1 12.4
225 -1 -4 1 35.764 71.529 0.379 3.97 2 39.3 19.6
226 1 1 4 35.782 71.564 0.38 3.97 2 81.4 84.3
227 -1 -4 4 35.838 71.676 0.38 3.95 2 78.5 78.1
228 -2 3 3 35.887 71.774 0.381 3.94 2 38.7 18.9
229 4 -2 2 35.949 71.899 0.381 3.93 2 52.4 34.6
230 -3 -2 4 36.044 72.088 0.382 3.91 2 9.2 1.1
231 1 2 3 36.049 72.098 0.382 3.91 2 53.6 36.0
232 -3 4 1 36.059 72.118 0.382 3.91 2 15.7 3.1
233 2 3 0 36.203 72.406 0.383 3.88 2 22.6 6.4
234 2 0 4 36.207 72.415 0.383 3.88 2 4.2 0.2
235 4 -3 2 36.388 72.776 0.385 3.84 2 48.3 28.8
236 0 -4 5 36.418 72.837 0.385 3.83 2 5.4 0.4
237 1 -4 5 36.445 72.89 0.386 3.83 2 39.5 19.2
238 -1 3 3 36.519 73.038 0.386 3.81 2 30.7 11.5
239 3 2 0 36.579 73.158 0.387 3.8 2 42.9 22.4
240 1 -5 2 36.71 73.421 0.388 3.78 2 69.5 58.4
241 2 -3 5 36.719 73.439 0.388 3.77 2 68.5 56.7
242 2 -5 2 36.744 73.488 0.388 3.77 2 22.2 5.9
243 3 -3 4 36.762 73.523 0.388 3.77 2 74.3 66.5
244 2 2 2 36.777 73.555 0.389 3.76 2 86.3 89.8
245 2 -2 5 36.817 73.634 0.389 3.75 2 13.5 2.2
246 -1 1 5 36.88 73.76 0.39 3.74 2 20.5 5.0
247 1 -5 3 36.946 73.891 0.39 3.73 2 16.7 3.3
248 3 -2 4 36.991 73.982 0.391 3.72 2 22.1 5.8
249 -2 1 5 37.103 74.206 0.392 3.7 2 41.5 20.4
250 0 -2 6 37.179 74.359 0.392 3.69 2 47.7 26.9
251 -4 -1 2 37.188 74.376 0.392 3.69 2 64.2 48.7
252 -1 -2 6 37.238 74.476 0.393 3.68 2 37.5 16.6
253 -3 -1 5 37.379 74.758 0.394 3.65 2 29.9 10.5
254 -3 0 5 37.427 74.853 0.394 3.64 2 31.5 11.6
255 2 -5 3 37.481 74.963 0.395 3.63 2 25.0 7.3
256 2 -5 1 37.49 74.979 0.395 3.63 2 18.1 3.8
257 -4 2 3 37.559 75.118 0.396 3.62 2 0.9 0.0
258 3 0 3 37.629 75.258 0.396 3.61 2 2.8 0.1
259 -1 -1 6 37.641 75.282 0.396 3.6 2 64.9 48.7
260 -3 2 4 37.645 75.29 0.396 3.6 2 47.2 25.7
261 0 4 1 37.707 75.413 0.397 3.59 2 2.7 0.1
262 -3 3 3 37.709 75.419 0.397 3.59 2 0.7 0.0
263 1 0 5 37.712 75.423 0.397 3.59 2 2.5 0.1
264 4 0 1 37.731 75.461 0.397 3.59 2 12.8 1.9
265 -4 -1 1 37.768 75.536 0.398 3.58 2 4.2 0.2
266 -2 -3 5 37.788 75.576 0.398 3.58 2 27.8 8.9
267 4 -1 2 37.814 75.627 0.398 3.58 2 33.9 13.2
268 -4 3 2 37.885 75.77 0.399 3.56 2 1.7 0.0
269 3 1 2 37.929 75.859 0.399 3.56 2 24.7 6.9
270 1 -5 1 37.956 75.913 0.399 3.55 2 23.0 6.0
271 4 -4 1 38.059 76.118 0.4 3.53 2 51.7 30.3
272 -4 -1 3 38.085 76.17 0.4 3.53 2 32.1 11.7
273 0 -3 6 38.137 76.274 0.401 3.52 2 57.0 36.6
274 0 2 4 38.246 76.493 0.402 3.5 2 26.5 7.9
275 -4 4 0 38.482 76.965 0.404 3.47 2 49.7 27.4
276 1 3 2 38.496 76.993 0.404 3.46 2 56.8 35.8
277 0 -1 6 38.502 77.004 0.404 3.46 2 43.3 20.8
278 -2 4 2 38.56 77.121 0.405 3.45 2 61.7 42.1
279 1 -5 4 38.653 77.306 0.405 3.44 2 62.8 43.5
280 1 4 0 38.705 77.409 0.406 3.43 2 70.9 55.4
281 -4 0 4 38.786 77.573 0.407 3.42 2 3.6 0.1
282 3 -4 4 38.814 77.627 0.407 3.42 2 19.3 4.1
283 -1 -4 5 38.824 77.647 0.407 3.42 2 23.2 5.9
284 0 -5 3 38.839 77.677 0.407 3.41 2 73.2 58.6
285 2 -4 5 38.902 77.805 0.408 3.4 2 38.2 15.9
286 0 1 5 39.083 78.167 0.409 3.38 2 30.4 10.0
287 4 -4 2 39.101 78.201 0.409 3.38 2 33.2 11.9
288 0 -5 2 39.103 78.205 0.409 3.37 2 46.6 23.5
289 -1 -3 6 39.11 78.22 0.409 3.37 2 24.3 6.4
290 2 -1 5 39.188 78.377 0.41 3.36 2 45.7 22.5
291 -2 -1 6 39.197 78.394 0.41 3.36 2 14.3 2.2
292 3 -5 2 39.201 78.402 0.41 3.36 2 47.9 24.7
293 -4 1 4 39.395 78.789 0.412 3.33 2 20.5 4.5
294 3 -5 1 39.44 78.879 0.412 3.33 2 54.4 31.6
295 3 -1 4 39.489 78.978 0.413 3.32 2 22.5 5.4
296 1 -2 6 39.538 79.075 0.413 3.31 2 56.6 34.0
297 0 3 3 39.564 79.127 0.413 3.31 2 12.3 1.6
298 1 -3 6 39.572 79.144 0.414 3.31 2 37.9 15.2
299 -1 4 2 39.594 79.187 0.414 3.31 2 41.7 18.4
300 -3 -2 5 39.598 79.196 0.414 3.31 2 37.0 14.5
301 2 -5 4 39.674 79.348 0.414 3.3 2 1.8 0.0
302 -2 5 0 39.69 79.38 0.415 3.29 2 17.0 3.0
303 4 -3 3 39.695 79.39 0.415 3.29 2 9.5 1.0
304 -2 -2 6 39.71 79.42 0.415 3.29 2 68.6 49.7
305 -3 1 5 39.738 79.476 0.415 3.29 2 21.4 4.8
306 4 1 0 39.804 79.607 0.416 3.28 2 73.7 57.1
307 -3 4 2 39.928 79.855 0.417 3.26 2 15.3 2.4
308 0 -5 4 40.031 80.061 0.418 3.25 2 17.7 3.3
309 4 -2 3 40.048 80.097 0.418 3.25 2 12.5 1.6
310 -3 -3 3 40.05 80.101 0.418 3.25 2 13.6 1.9
311 -2 -4 3 40.164 80.327 0.419 3.23 2 46.2 22.2
312 -3 -3 2 40.232 80.465 0.419 3.23 2 74.8 57.9
313 -1 0 6 40.296 80.593 0.42 3.22 2 10.3 1.1
314 2 3 1 40.297 80.595 0.42 3.22 2 23.0 5.5
315 -4 4 1 40.357 80.715 0.42 3.21 2 42.6 18.7
316 3 2 1 40.376 80.752 0.42 3.21 2 21.6 4.8
317 3 -5 3 40.415 80.83 0.421 3.2 2 63.7 41.7
318 -4 -1 4 40.428 80.855 0.421 3.2 2 69.5 49.6
319 -2 -4 2 40.63 81.261 0.423 3.18 2 32.2 10.6
320 -1 5 0 40.639 81.279 0.423 3.18 2 57.0 33.1
321 0 -5 1 40.815 81.63 0.424 3.16 2 41.4 17.4
322 -2 0 6 40.926 81.853 0.425 3.15 2 55.1 30.6
323 -5 2 1 41.04 82.08 0.426 3.13 2 15.4 2.4
324 -3 5 0 41.124 82.247 0.427 3.12 2 19.0 3.6
325 -2 -4 4 41.142 82.283 0.427 3.12 2 41.0 16.8
326 -5 2 0 41.217 82.434 0.428 3.12 2 19.5 3.8
327 -3 -3 4 41.313 82.626 0.429 3.11 2 72.6 52.5
328 0 -4 6 41.326 82.651 0.429 3.1 2 14.3 2.0
329 -5 1 1 41.429 82.859 0.43 3.09 2 2.8 0.1
330 4 -4 3 41.577 83.154 0.431 3.08 2 60.0 35.6
331 1 -1 6 41.737 83.474 0.432 3.06 2 11.6 1.3
332 1 -5 5 41.779 83.557 0.432 3.06 2 25.6 6.4
333 1 -4 6 41.839 83.678 0.433 3.05 2 22.9 5.1
334 -3 -3 1 41.855 83.709 0.433 3.05 2 19.8 3.8
335 4 0 2 41.879 83.758 0.433 3.05 2 37.2 13.6
336 -4 3 3 41.881 83.761 0.433 3.05 2 29.1 8.3
337 -5 1 2 41.919 83.839 0.434 3.05 2 63.7 39.6
338 0 0 6 42.041 84.081 0.435 3.03 2 68.3 45.4
339 -4 2 4 42.229 84.458 0.436 3.02 2 62.1 37.3
340 -5 3 0 42.28 84.56 0.437 3.01 2 35.7 12.3
341 2 1 4 42.291 84.581 0.437 3.01 2 39.5 15.0
342 -5 2 2 42.301 84.602 0.437 3.01 2 23.4 5.3
343 -2 3 4 42.36 84.72 0.437 3.01 2 41.7 16.7
344 -5 1 0 42.376 84.751 0.437 3.0 2 76.8 56.8
345 -2 -3 6 42.448 84.895 0.438 3.0 2 42.3 17.2
346 3 -3 5 42.451 84.901 0.438 3.0 2 30.1 8.7
347 -2 -4 1 42.532 85.065 0.439 2.99 2 37.6 13.5
348 -2 2 5 42.552 85.105 0.439 2.99 2 17.4 2.9
349 4 -1 3 42.625 85.25 0.44 2.98 2 26.3 6.6
350 -4 -2 2 42.632 85.263 0.44 2.98 2 37.2 13.3
351 0 -5 5 42.649 85.299 0.44 2.98 2 37.7 13.6
352 -4 -2 3 42.734 85.468 0.44 2.97 2 11.3 1.2
353 5 -2 1 42.829 85.658 0.441 2.97 2 25.0 6.0
354 -5 3 1 42.872 85.745 0.442 2.96 2 39.6 14.9
355 2 2 3 42.955 85.911 0.442 2.96 2 2.8 0.1
356 0 4 2 42.986 85.972 0.443 2.96 2 3.0 0.1
357 1 4 1 43.013 86.025 0.443 2.95 2 3.9 0.1
358 3 -5 4 43.054 86.108 0.443 2.95 2 35.9 12.2
359 -1 -5 3 43.07 86.14 0.443 2.95 2 12.6 1.5
360 -3 -1 6 43.101 86.202 0.444 2.95 2 42.8 17.3
361 5 -3 1 43.12 86.241 0.444 2.94 2 36.2 12.4
362 -1 -4 6 43.176 86.352 0.444 2.94 2 40.5 15.5
363 1 2 4 43.204 86.407 0.444 2.94 2 4.5 0.2
364 -1 2 5 43.233 86.465 0.445 2.94 2 5.9 0.3
365 4 1 1 43.246 86.492 0.445 2.94 2 24.4 5.6
366 2 -5 5 43.268 86.537 0.445 2.93 2 25.8 6.3
367 -2 5 1 43.292 86.584 0.445 2.93 2 12.3 1.4
368 -4 0 5 43.322 86.643 0.445 2.93 2 11.1 1.2
369 2 -3 6 43.356 86.712 0.446 2.93 2 24.7 5.7
370 3 -2 5 43.439 86.878 0.446 2.92 2 40.4 15.3
371 -1 3 4 43.45 86.9 0.446 2.92 2 10.6 1.1
372 -2 -4 5 43.547 87.094 0.447 2.91 2 38.3 13.7
373 1 1 5 43.612 87.225 0.448 2.91 2 22.9 4.9
374 -3 3 4 43.627 87.255 0.448 2.91 2 74.6 51.9
375 -4 4 2 43.644 87.288 0.448 2.91 2 52.5 25.7
376 3 -4 5 43.675 87.35 0.448 2.91 2 14.8 2.0
377 4 -5 1 43.724 87.448 0.449 2.9 2 23.0 4.9
378 2 0 5 43.736 87.471 0.449 2.9 2 32.4 9.7
379 -5 0 2 43.753 87.505 0.449 2.9 2 41.6 16.1
380 -1 -5 4 43.757 87.513 0.449 2.9 2 5.2 0.3
381 3 1 3 43.786 87.573 0.449 2.9 2 40.4 15.1
382 -1 -5 2 43.813 87.627 0.449 2.9 2 18.1 3.1
383 -5 1 3 43.839 87.678 0.45 2.89 2 5.8 0.3
384 -3 0 6 43.913 87.826 0.45 2.89 2 54.1 27.1
385 0 5 0 43.942 87.885 0.45 2.89 2 30.8 8.8
386 -4 -2 1 43.96 87.919 0.451 2.89 2 41.2 15.7
387 4 -5 2 43.974 87.949 0.451 2.89 2 58.9 32.1
388 -3 -3 5 43.998 87.997 0.451 2.88 2 25.5 6.0
389 -5 0 1 44.031 88.063 0.451 2.88 2 33.0 10.1
390 3 0 4 44.158 88.315 0.452 2.87 2 63.3 36.9
391 -4 -1 5 44.169 88.338 0.452 2.87 2 25.1 5.8
392 2 -2 6 44.216 88.431 0.453 2.87 2 37.7 13.1
393 -3 5 1 44.224 88.448 0.453 2.87 2 53.2 26.0
394 -3 2 5 44.228 88.456 0.453 2.87 2 21.6 4.3
395 -4 -2 4 44.266 88.532 0.453 2.87 2 30.6 8.6
396 -2 4 3 44.276 88.553 0.453 2.87 2 5.9 0.3
397 4 -3 4 44.361 88.722 0.454 2.86 2 22.5 4.7
398 -3 -2 6 44.498 88.997 0.455 2.85 2 24.5 5.5
399 -1 -2 7 44.596 89.193 0.456 2.85 2 5.7 0.3
400 -4 1 5 44.683 89.367 0.456 2.84 2 17.7 2.8
401 2 -4 6 44.706 89.411 0.457 2.84 2 38.0 13.1
402 -1 5 1 44.713 89.425 0.457 2.84 2 0.8 0.0
403 5 -1 1 44.747 89.495 0.457 2.84 2 3.2 0.1
404 -2 1 6 44.851 89.702 0.458 2.84 2 51.0 23.7
405 -5 3 2 44.892 89.783 0.458 2.83 2 60.4 33.1
406 3 3 0 44.895 89.79 0.458 2.83 2 64.5 37.8
407 1 3 3 44.901 89.801 0.458 2.83 2 11.6 1.2
408 -4 5 0 44.902 89.803 0.458 2.83 2 58.6 31.2
409 -5 0 3 44.902 89.804 0.458 2.83 2 18.0 3.0
410 -5 2 3 44.984 89.969 0.459 2.83 2 18.9 3.2
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 0 0 1 6.408 12.816 6.90158 195.7 13.6 13.7 5.6
2 0 -1 1 7.788 15.575 5.68463 1040.8 72.3 72.9 5.6
3 0 1 0 7.978 15.955 5.55008 198.3 13.8 13.9 5.6
4 1 0 0 8.235 16.47 5.37791 379.1 26.3 26.5 5.6
5 -1 1 0 8.95 17.9 4.95139 436.6 30.3 30.5 5.6
6 -1 0 1 9.01 18.02 4.91862 381.3 26.5 26.7 5.6
7 1 -1 1 10.264 20.527 4.32311 486.9 33.8 34.0 5.6
8 -1 1 1 11.764 23.529 3.778 1004.4 69.8 70.0 5.6
9 0 -1 2 11.879 23.758 3.742 688.1 47.8 47.9 5.6
10 0 1 1 12.258 24.516 3.62807 233.8 16.2 16.3 5.6
11 -1 -1 1 12.385 24.771 3.59127 56.9 4.0 4.0 5.6
12 0 0 2 12.898 25.796 3.45079 1093.5 76.0 76.1 5.6
13 -1 0 2 13.367 26.734 3.33182 344.5 23.9 24.0 5.6
14 1 1 0 13.608 27.215 3.27402 1439.0 100.0 100.0 5.6
15 1 -2 1 14.251 28.502 3.12905 56.4 3.9 3.9 5.6
16 -1 -1 2 14.367 28.734 3.10429 960.6 66.8 66.7 5.6
17 0 -2 1 14.512 29.023 3.07402 154.2 10.7 10.7 5.6
18 1 -1 2 14.678 29.356 3.03991 307.1 21.3 21.3 5.6
19 -1 2 0 14.934 29.868 2.989 1035.2 71.9 71.8 5.6
20 -2 1 0 15.361 30.722 2.90783 1046.5 72.7 72.5 5.6
21 0 2 0 16.115 32.231 2.77504 355.2 24.7 24.6 5.6
22 -2 0 1 16.177 32.355 2.76473 208.7 14.5 14.4 5.6
23 -2 1 1 16.334 32.668 2.73893 32.1 2.2 2.2 5.6
24 1 -2 2 16.398 32.797 2.72846 477.0 33.1 33.0 5.6
25 2 0 0 16.646 33.292 2.68895 113.8 7.9 7.9 5.6
26 -1 1 2 16.832 33.664 2.66009 164.2 11.4 11.3 5.7
27 2 -1 1 17.07 34.14 2.62414 17.7 1.2 1.2 5.7
28 1 0 2 17.179 34.358 2.60798 54.3 3.8 3.7 5.7
29 0 -1 3 17.587 35.174 2.54927 18.2 1.3 1.3 5.7
30 -1 2 1 18.16 36.32 2.47147 67.1 4.7 4.6 5.7
31 -2 0 2 18.253 36.506 2.45931 25.0 1.7 1.7 5.7
32 -1 -1 3 18.63 37.26 2.41126 14.8 1.0 1.0 5.7
33 -1 0 3 19.12 38.24 2.35168 38.3 2.7 2.6 5.7
34 -1 -2 2 19.206 38.412 2.34155 54.6 3.8 3.8 5.7
35 0 -2 3 19.279 38.558 2.33299 266.1 18.5 18.3 5.7
36 2 0 1 19.498 38.997 2.30774 21.7 1.5 1.5 5.7
37 -2 1 2 19.636 39.272 2.29219 475.4 33.0 32.7 5.7
38 0 2 1 19.932 39.865 2.25948 24.0 1.7 1.7 5.7
39 1 -1 3 20.407 40.813 2.20913 200.7 13.9 13.8 5.7
40 1 -2 3 20.593 41.187 2.18996 34.3 2.4 2.4 5.7
41 2 -1 2 20.883 41.767 2.16088 406.0 28.2 27.8 5.7
42 1 -3 1 20.961 41.923 2.1532 29.6 2.1 2.0 5.7
43 1 -3 2 21.449 42.899 2.10645 51.2 3.6 3.5 5.7
44 0 -3 2 22.222 44.445 2.03668 292.5 20.3 20.0 5.7
45 -2 0 3 22.259 44.519 2.03347 48.6 3.4 3.3 5.7
46 1 1 2 22.689 45.378 1.99695 324.0 22.5 22.1 5.7
47 -1 2 2 23.008 46.017 1.9707 261.6 18.2 17.9 5.7
48 -2 -1 3 23.092 46.184 1.96394 92.7 6.4 6.3 5.7
49 -3 1 0 23.356 46.713 1.94295 24.8 1.7 1.7 5.7
50 -2 3 0 23.731 47.463 1.91398 28.2 2.0 1.9 5.7
51 2 0 2 24.018 48.037 1.89245 225.8 15.7 15.4 5.7
52 -2 2 2 24.065 48.13 1.889 32.1 2.2 2.2 5.7
53 -1 -1 4 24.154 48.309 1.88242 298.7 20.8 20.3 5.7
54 -3 2 0 24.215 48.43 1.878 35.7 2.5 2.4 5.7
55 0 1 3 24.46 48.92 1.86032 28.8 2.0 2.0 5.7
56 0 3 0 24.605 49.21 1.85003 277.4 19.3 18.9 5.7
57 2 1 1 24.743 49.485 1.84038 42.3 2.9 2.9 5.7
58 1 2 1 24.829 49.659 1.83436 41.8 2.9 2.8 5.7
59 3 -2 1 25.053 50.105 1.81905 55.4 3.9 3.8 5.7
60 0 2 2 25.127 50.254 1.81403 125.8 8.7 8.5 5.8
61 3 -1 1 25.224 50.448 1.80751 39.7 2.8 2.7 5.8
62 -3 2 1 25.258 50.515 1.80525 68.8 4.8 4.7 5.8
63 -3 1 2 25.33 50.659 1.80046 57.7 4.0 3.9 5.8
64 -3 0 2 25.385 50.77 1.79679 273.5 19.0 18.6 5.8
65 3 0 0 25.448 50.896 1.79264 294.4 20.5 20.0 5.8
66 -1 -2 4 25.65 51.299 1.77949 47.6 3.3 3.2 5.8
67 -1 3 1 25.932 51.863 1.76146 19.0 1.3 1.3 5.8
68 1 -2 4 26.034 52.069 1.75498 260.0 18.1 17.6 5.8
69 -1 -3 2 26.088 52.177 1.75161 51.3 3.6 3.5 5.8
70 -2 3 1 26.393 52.786 1.73282 88.1 6.1 6.0 5.8
71 0 0 4 26.515 53.031 1.72539 107.0 7.4 7.2 5.8
72 2 -3 3 26.888 53.777 1.7032 150.6 10.5 10.2 5.8
73 -1 -3 3 27.074 54.147 1.69242 67.7 4.7 4.6 5.8
74 0 -3 4 27.441 54.882 1.67148 115.3 8.0 7.8 5.8
75 -2 0 4 27.541 55.081 1.66591 34.9 2.4 2.4 5.8
76 3 -2 2 27.646 55.292 1.66005 46.1 3.2 3.1 5.8
77 -3 3 0 27.821 55.641 1.65046 101.3 7.0 6.8 5.8
78 1 -3 4 27.968 55.937 1.64244 22.0 1.5 1.5 5.8
79 -3 2 2 28.028 56.056 1.63923 69.6 4.8 4.7 5.8
80 2 2 0 28.069 56.139 1.63701 155.4 10.8 10.5 5.8
81 -3 -1 2 28.183 56.366 1.63096 42.4 2.9 2.9 5.8
82 -3 -1 1 28.274 56.548 1.62613 23.3 1.6 1.6 5.8
83 1 -4 2 28.403 56.806 1.61936 64.6 4.5 4.3 5.8
84 3 -1 2 28.724 57.447 1.6028 17.5 1.2 1.2 5.8
85 1 -4 1 28.921 57.843 1.59278 70.2 4.9 4.7 5.8
86 -2 2 3 29.225 58.451 1.57765 117.3 8.2 7.9 5.8
87 1 3 0 29.374 58.748 1.57037 14.9 1.0 1.0 5.8
88 2 -4 1 29.439 58.878 1.56722 15.9 1.1 1.1 5.8
89 2 1 2 29.521 59.043 1.56323 134.5 9.3 9.0 5.8
90 1 -4 3 29.572 59.144 1.56079 115.0 8.0 7.7 5.8
91 2 0 3 29.658 59.316 1.55668 57.0 4.0 3.8 5.8
92 -2 -2 4 29.753 59.507 1.55215 212.6 14.8 14.3 5.8
93 0 -4 2 30.076 60.153 1.53701 32.8 2.3 2.2 5.8
94 1 0 4 30.238 60.476 1.52956 26.7 1.9 1.8 5.8
95 0 -2 5 30.322 60.645 1.52572 32.7 2.3 2.2 5.8
96 -2 1 4 30.352 60.704 1.52438 132.2 9.2 8.9 5.8
97 2 -2 4 30.449 60.899 1.51996 38.6 2.7 2.6 5.8
98 -2 3 2 30.536 61.073 1.51604 101.6 7.1 6.8 5.8
99 -1 -2 5 30.939 61.877 1.49825 17.9 1.2 1.2 5.8
100 -2 4 0 31.025 62.05 1.4945 96.6 6.7 6.5 5.8
101 -1 4 0 31.074 62.148 1.49238 21.9 1.5 1.5 5.8
102 0 -4 1 31.127 62.253 1.49011 31.0 2.2 2.1 5.8
103 3 -2 3 31.706 63.412 1.46564 60.5 4.2 4.0 5.9
104 -4 1 1 31.771 63.542 1.46295 74.6 5.2 5.0 5.9
105 -4 2 0 31.992 63.983 1.45392 146.3 10.2 9.8 5.9
106 -3 0 4 32.113 64.225 1.44902 110.5 7.7 7.4 5.9
107 2 -1 4 32.179 64.357 1.44638 93.7 6.5 6.2 5.9
108 -3 2 3 32.232 64.465 1.44422 38.2 2.7 2.5 5.9
109 3 0 2 32.275 64.55 1.44251 86.8 6.0 5.8 5.9
110 1 -4 4 32.315 64.631 1.44091 28.2 2.0 1.9 5.9
111 1 -2 5 32.36 64.721 1.43912 16.9 1.2 1.1 5.9
112 -1 0 5 32.564 65.127 1.43112 16.1 1.1 1.1 5.9
113 -2 -1 5 32.749 65.498 1.42392 40.0 2.8 2.7 5.9
114 -4 1 2 32.845 65.691 1.4202 43.2 3.0 2.9 5.9
115 -3 -1 4 32.906 65.813 1.41786 26.1 1.8 1.7 5.9
116 -3 3 2 33.03 66.06 1.41316 99.0 6.9 6.6 5.9
117 4 -2 1 33.224 66.448 1.40584 17.3 1.2 1.1 5.9
118 -3 -2 2 33.264 66.528 1.40434 17.0 1.2 1.1 5.9
119 1 3 1 33.309 66.618 1.40266 51.1 3.6 3.4 5.9
120 0 3 2 33.419 66.837 1.39859 55.6 3.9 3.7 5.9
121 -1 -3 5 33.797 67.594 1.38477 26.3 1.8 1.7 5.9
122 -3 -2 3 33.9 67.8 1.38106 54.7 3.8 3.6 5.9
123 -2 -2 5 34.129 68.258 1.37291 28.7 2.0 1.9 5.9
124 -4 2 2 34.227 68.453 1.36947 48.7 3.4 3.2 5.9
125 -1 -4 2 34.27 68.541 1.36793 65.5 4.5 4.3 5.9
126 4 -1 1 34.332 68.664 1.36577 25.0 1.7 1.7 5.9
127 2 -4 4 34.376 68.753 1.36423 81.0 5.6 5.4 5.9
128 -1 4 1 34.686 69.371 1.35357 17.3 1.2 1.1 5.9
129 4 0 0 34.954 69.908 1.34448 18.7 1.3 1.2 5.9
130 -1 2 4 35.596 71.191 1.32337 108.0 7.5 7.1 5.9
131 1 1 4 35.782 71.564 1.31739 103.9 7.2 6.8 5.9
132 -1 -4 4 35.838 71.676 1.31561 78.1 5.4 5.1 5.9
133 -2 3 3 35.887 71.774 1.31405 18.9 1.3 1.2 5.9
134 4 -2 2 35.949 71.899 1.31207 34.6 2.4 2.3 5.9
135 -3 4 1 36.059 72.118 1.30863 40.1 2.8 2.6 5.9
136 4 -3 2 36.388 72.776 1.29841 28.8 2.0 1.9 6.0
137 1 -4 5 36.445 72.89 1.29665 19.2 1.3 1.3 6.0
138 3 2 0 36.579 73.158 1.29257 22.4 1.6 1.5 6.0
139 1 -5 2 36.71 73.421 1.28859 115.1 8.0 7.5 6.0
140 2 2 2 36.777 73.555 1.28657 162.3 11.3 10.6 6.0
141 -2 1 5 37.103 74.206 1.27688 20.4 1.4 1.3 6.0
142 -4 -1 2 37.188 74.376 1.27438 75.6 5.3 4.9 6.0
143 -1 -2 6 37.238 74.476 1.27292 16.6 1.2 1.1 6.0
144 -1 -1 6 37.641 75.282 1.26129 74.5 5.2 4.9 6.0
145 4 -1 2 37.814 75.627 1.25638 22.0 1.5 1.4 6.0
146 4 -4 1 38.059 76.118 1.2495 42.0 2.9 2.7 6.0
147 0 -3 6 38.137 76.274 1.24733 36.6 2.5 2.4 6.0
148 1 3 2 38.496 76.993 1.23747 84.0 5.8 5.5 6.0
149 -2 4 2 38.56 77.121 1.23574 42.1 2.9 2.7 6.0
150 1 -5 4 38.653 77.306 1.23324 43.5 3.0 2.8 6.0
151 1 4 0 38.705 77.409 1.23185 55.4 3.8 3.6 6.0
152 0 -5 3 38.839 77.677 1.22826 68.5 4.8 4.5 6.0
153 2 -4 5 38.902 77.805 1.22657 15.9 1.1 1.0 6.0
154 0 -5 2 39.103 78.205 1.22129 51.8 3.6 3.4 6.0
155 3 -5 2 39.201 78.402 1.21871 49.4 3.4 3.2 6.0
156 3 -5 1 39.44 78.879 1.21253 31.6 2.2 2.0 6.0
157 1 -2 6 39.538 79.075 1.21002 35.6 2.5 2.3 6.0
158 -1 4 2 39.594 79.187 1.20859 48.2 3.3 3.1 6.0
159 -2 -2 6 39.71 79.42 1.20563 58.5 4.1 3.8 6.0
160 4 1 0 39.804 79.607 1.20327 57.1 4.0 3.7 6.0
161 -2 -4 3 40.164 80.327 1.19428 22.2 1.5 1.4 6.0
162 -3 -3 2 40.232 80.465 1.19259 57.9 4.0 3.7 6.0
163 -4 4 1 40.357 80.715 1.18952 23.5 1.6 1.5 6.1
164 -4 -1 4 40.428 80.855 1.18781 91.3 6.3 5.9 6.1
165 -1 5 0 40.639 81.279 1.18269 43.7 3.0 2.8 6.1
166 0 -5 1 40.815 81.63 1.17849 17.4 1.2 1.1 6.1
167 -2 0 6 40.926 81.853 1.17584 30.6 2.1 2.0 6.1
168 -2 -4 4 41.142 82.283 1.17077 20.4 1.4 1.3 6.1
169 -3 -3 4 41.313 82.626 1.16679 54.6 3.8 3.5 6.1
170 4 -4 3 41.577 83.154 1.16071 35.6 2.5 2.3 6.1
171 4 0 2 41.879 83.758 1.15387 21.8 1.5 1.4 6.1
172 -5 1 2 41.919 83.839 1.15297 39.6 2.8 2.5 6.1
173 0 0 6 42.041 84.081 1.15026 45.4 3.2 2.9 6.1
174 -4 2 4 42.229 84.458 1.14609 37.3 2.6 2.4 6.1
175 2 1 4 42.291 84.581 1.14473 32.7 2.3 2.1 6.1
176 -5 1 0 42.376 84.751 1.14287 73.6 5.1 4.7 6.1
177 -2 -3 6 42.448 84.895 1.1413 25.9 1.8 1.7 6.1
178 -2 -4 1 42.532 85.065 1.13946 16.4 1.1 1.0 6.1
179 0 -5 5 42.649 85.299 1.13693 33.5 2.3 2.1 6.1
180 -5 3 1 42.872 85.745 1.13215 14.9 1.0 0.9 6.1
181 -3 -1 6 43.101 86.202 1.12732 29.7 2.1 1.9 6.1
182 -1 -4 6 43.176 86.352 1.12575 15.7 1.1 1.0 6.1
183 2 -5 5 43.268 86.537 1.12382 14.4 1.0 0.9 6.1
184 3 -2 5 43.439 86.878 1.12028 16.3 1.1 1.0 6.1
185 -3 3 4 43.627 87.255 1.1164 82.5 5.7 5.2 6.2
186 -5 0 2 43.753 87.505 1.11385 30.8 2.1 2.0 6.2
187 3 1 3 43.786 87.573 1.11317 18.2 1.3 1.2 6.2
188 -3 0 6 43.913 87.826 1.11061 35.9 2.5 2.3 6.2
189 4 -5 2 43.974 87.949 1.10938 53.8 3.7 3.4 6.2
190 3 0 4 44.158 88.315 1.10572 42.7 3.0 2.7 6.2
191 -3 5 1 44.224 88.448 1.1044 43.4 3.0 2.7 6.2
192 2 -4 6 44.706 89.411 1.09498 16.0 1.1 1.0 6.2
193 -2 1 6 44.851 89.702 1.09219 23.7 1.6 1.5 6.2
194 3 3 0 44.895 89.79 1.09134 106.3 7.4 6.7 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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