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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LANGBANSHYTTANITE
1
Pb(2)(Mn,Mg,Fe)(3)[AsO(4)](2)(OH)(4).6H(2)O
Triclinic P 1(-) Z = 1
P1(-)
12 .7 .13
Ref.Str.:
Chukanov N.V., Pekov I.V., Johsson E., Zubkova N.V., Filinchuk Y.E.,
Belakovskiy D.I., Pushcharovsky D.Y. (2011)
* Eur. J. Mineral., 23, 675-681
R: from Langban, Sweden.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.0528 alpha = 85.66
b = 5.7671 beta = 82.03
c = 14.617 gamma = 88.73
Unit cell volume (cub. angs.) = 420.58
Molar volume ( cub.cm/mol.) = 253.33
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0769 0.2864 0.3031 0.0 Pb = 1.00
2 0.982 0.246 0.5543 0.0 Mn = 1.00
3 0.0 0.5 0.0 0.0 Mg = 1.00
4 0.415 0.211 0.7167 0.0 As = 1.00
5 0.174 0.346 0.668 0.0 O = 1.00
6 0.699 0.088 0.675 0.0 O = 1.00
7 0.225 0.41 0.432 0.0 OH = 1.00
8 0.19 0.915 0.564 0.0 OH = 1.00
9 0.114 0.724 0.096 0.0 H(2)O = 1.00
10 0.28 0.23 0.034 0.0 H(2)O = 1.00
11 0.3 0.661 0.901 0.0 H(2)O = 1.00
12 0.206 0.996 0.787 0.0 O = 1.00
13 0.56 0.406 0.789 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0769 0.2864 0.3031
2 2 0.982 0.246 0.5543
3 3 0.0 0.5 0.0
4 4 0.415 0.211 0.7167
5 5 0.174 0.346 0.668
6 6 0.699 0.088 0.675
7 7 0.225 0.41 0.432
8 8 0.19 0.915 0.564
9 9 0.114 0.724 0.096
10 10 0.28 0.23 0.034
11 11 0.3 0.661 0.901
12 12 0.206 0.996 0.787
13 13 0.56 0.406 0.789
14 1 0.9231 0.7136 0.6969
15 2 0.018 0.754 0.4457
16 4 0.585 0.789 0.2833
17 5 0.826 0.654 0.332
18 6 0.301 0.912 0.325
19 7 0.775 0.59 0.568
20 8 0.81 0.085 0.436
21 9 0.886 0.276 0.904
22 10 0.72 0.77 0.966
23 11 0.7 0.339 0.099
24 12 0.794 0.004 0.213
25 13 0.44 0.594 0.211
X-ray density (g/cm cub.) = 3.96
MU (1/cm) = 649.064 Mass attenuation coefficient (cm**2/g) = 164.033
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.312 6
2.2883 7
2.4795 5
2.436 6
2.4377 8
2.7167 12
2.7245 13
2 Mn 2.892 6
2.1571 5
2.2588 6
2.1874 7
2.1633 8
2.2316 7
2.3029 8
3 Mg 2.688 6
2.1217 9
2.1571 10
2.1224 11
2.1217 9
2.1571 10
2.1224 11
4 As 2.628 4
1.6462 5
1.6467 6
1.8091 12
1.8302 13
5 O 3.432 8
3.023 6
2.8376 6
3.4157 7
3.0042 8
2.5802 12
2.8515 13
3.3758 13
2.9259 7
6 O 3.432 9
2.8376 5
3.023 5
2.9668 8
3.4291 8
3.2397 12
2.8219 12
2.5912 13
3.1894 7
3.3626 7
7 OH 3.48 10
3.4157 5
3.3161 8
3.462 5
2.9259 5
3.1894 6
3.3626 6
3.0255 7
3.4697 8
2.835 8
3.3615 13
8 OH 3.48 9
3.0042 5
3.4291 6
2.9668 6
3.3161 7
3.3399 12
3.4619 6
3.4697 7
2.835 7
2.9637 8
9 H(2)O 3.6 9
3.0883 10
3.117 10
2.922 11
3.5501 5
3.3768 10
2.9315 10
3.0779 11
2.7717 12
2.5736 13
10 H(2)O 3.6 9
3.117 9
3.0883 9
3.0319 11
3.3768 9
2.9315 9
3.5346 10
2.5515 11
3.0204 11
3.524 12
11 H(2)O 3.6 7
2.922 9
3.0319 10
2.5349 12
2.5002 13
3.0779 9
2.5515 10
3.0204 10
12 O 3.432 7
2.5802 5
2.8219 6
3.2397 6
3.3399 8
2.5349 11
3.0007 13
2.7717 9
13 O 3.432 7
3.3758 5
2.8515 5
2.5912 6
2.5002 11
3.0007 12
3.3615 7
2.5736 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 0 0 1 3.552 7.104 0.035 518.02 2 96.6 5470.8
2 0 0 2 7.118 14.236 0.069 127.3 2 134.3 2597.0
3 0 1 0 8.949 17.898 0.087 79.72 2 31.7 90.3
4 0 1 1 9.39 18.781 0.091 72.2 2 64.8 342.4
5 0 -1 1 9.882 19.763 0.096 64.99 2 42.4 132.1
6 1 0 0 10.298 20.595 0.1 59.68 2 144.4 1406.8
7 1 0 1 10.426 20.853 0.101 58.16 2 106.9 752.1
8 0 0 3 10.712 21.424 0.104 54.99 2 157.3 1538.8
9 0 1 2 11.048 22.096 0.107 51.56 2 33.6 65.8
10 -1 0 1 11.366 22.732 0.11 48.6 2 39.8 87.1
11 1 0 2 11.714 23.429 0.113 45.63 2 35.1 63.6
12 0 -1 2 11.88 23.761 0.115 44.31 2 36.7 67.5
13 -1 0 2 13.361 26.722 0.129 34.6 2 41.1 66.1
14 0 1 3 13.501 27.001 0.131 33.85 2 18.5 13.2
15 1 1 1 13.548 27.095 0.131 33.6 2 88.8 299.9
16 1 1 0 13.625 27.251 0.132 33.2 2 127.6 611.1
17 -1 1 0 13.789 27.579 0.133 32.36 2 44.8 73.5
18 1 0 3 13.859 27.717 0.134 32.02 2 72.3 189.5
19 1 -1 1 14.06 28.121 0.136 31.05 2 157.1 866.2
20 0 0 4 14.349 28.698 0.139 29.74 2 82.8 230.3
21 1 1 2 14.41 28.82 0.139 29.47 2 165.2 908.8
22 -1 1 1 14.451 28.903 0.14 29.29 2 203.7 1373.8
23 0 -1 3 14.535 29.071 0.14 28.93 2 68.5 153.4
24 -1 -1 1 14.63 29.259 0.141 28.53 2 159.5 821.0
25 1 -1 2 15.219 30.437 0.147 26.22 2 150.5 671.1
26 -1 1 2 15.94 31.881 0.154 23.73 2 37.9 38.6
27 -1 0 3 15.963 31.926 0.154 23.66 2 71.1 135.2
28 1 1 3 16.075 32.149 0.155 23.3 2 7.1 1.3
29 -1 -1 2 16.405 32.811 0.158 22.3 2 23.3 13.7
30 0 1 4 16.425 32.851 0.158 22.24 2 119.6 359.7
31 1 0 4 16.556 33.112 0.159 21.86 2 50.9 64.0
32 1 -1 3 17.101 34.203 0.164 20.38 2 129.4 385.8
33 0 -1 4 17.585 35.17 0.169 19.17 2 123.9 333.0
34 0 0 5 18.046 36.093 0.173 18.12 2 174.7 625.0
35 -1 1 3 18.074 36.147 0.173 18.06 2 198.1 800.9
36 0 2 0 18.126 36.252 0.174 17.94 2 207.0 869.4
37 0 2 1 18.224 36.447 0.175 17.73 2 144.5 418.9
38 1 1 4 18.347 36.694 0.176 17.47 2 265.8 1395.9
39 -1 -1 3 18.759 37.518 0.18 16.64 2 287.7 1556.9
40 0 -2 1 18.763 37.525 0.18 16.63 2 10.7 2.2
41 -1 0 4 18.959 37.917 0.182 16.25 2 56.9 59.6
42 0 2 2 19.046 38.091 0.182 16.09 2 47.5 41.1
43 1 -1 4 19.526 39.052 0.187 15.23 2 174.1 521.9
44 1 0 5 19.616 39.232 0.188 15.07 2 74.1 93.6
45 0 1 5 19.651 39.302 0.188 15.01 2 65.5 72.8
46 0 -2 2 20.073 40.147 0.192 14.32 2 146.5 347.3
47 0 2 3 20.518 41.036 0.196 13.64 2 161.2 400.7
48 -1 1 4 20.683 41.366 0.197 13.39 2 106.3 171.1
49 1 2 1 20.739 41.478 0.198 13.31 2 88.7 118.5
50 2 0 1 20.755 41.509 0.198 13.29 2 186.0 520.1
51 0 -1 5 20.898 41.796 0.199 13.09 2 30.0 13.3
52 1 2 0 20.914 41.828 0.2 13.07 2 69.5 71.3
53 2 0 0 20.948 41.896 0.2 13.02 2 96.3 136.4
54 1 1 5 21.063 42.127 0.201 12.86 2 165.5 398.2
55 -1 2 0 21.14 42.279 0.202 12.76 2 141.5 288.9
56 2 0 2 21.22 42.439 0.202 12.65 2 7.7 0.9
57 1 2 2 21.222 42.445 0.202 12.64 2 8.4 1.0
58 1 -2 1 21.446 42.893 0.204 12.35 2 122.2 208.4
59 -1 2 1 21.483 42.965 0.205 12.3 2 104.5 152.0
60 -1 -1 4 21.536 43.071 0.205 12.24 2 133.3 245.7
61 -1 -2 1 21.736 43.471 0.207 11.98 2 46.0 28.6
62 -2 0 1 21.786 43.573 0.207 11.92 2 86.5 100.9
63 0 0 6 21.823 43.646 0.208 11.88 2 18.1 4.4
64 0 -2 3 21.958 43.917 0.209 11.71 2 80.0 84.8
65 -1 0 5 22.231 44.462 0.211 11.39 2 86.3 95.9
66 2 0 3 22.31 44.62 0.212 11.3 2 124.2 197.0
67 1 2 3 22.33 44.66 0.212 11.28 2 39.2 19.6
68 1 -1 5 22.353 44.705 0.213 11.25 2 13.6 2.3
69 1 -2 2 22.382 44.763 0.213 11.22 2 52.2 34.5
70 -1 2 2 22.451 44.903 0.213 11.14 2 38.0 18.2
71 0 2 4 22.536 45.072 0.214 11.05 2 39.7 19.7
72 2 1 1 22.548 45.096 0.214 11.03 2 14.4 2.6
73 2 1 0 22.843 45.686 0.217 10.71 2 94.4 108.0
74 2 1 2 22.871 45.742 0.217 10.68 2 103.0 128.3
75 1 0 6 22.937 45.875 0.218 10.61 2 80.5 77.9
76 2 -1 1 22.987 45.973 0.218 10.56 2 13.4 2.1
77 -2 1 0 23.053 46.106 0.219 10.49 2 27.4 8.9
78 0 1 6 23.098 46.196 0.219 10.45 2 24.1 6.9
79 -1 -2 2 23.148 46.295 0.22 10.4 2 52.5 32.3
80 -2 0 2 23.213 46.426 0.22 10.33 2 129.5 195.9
81 2 -1 2 23.527 47.054 0.223 10.02 2 92.9 97.8
82 -1 1 5 23.65 47.301 0.224 9.9 2 31.8 11.3
83 -2 1 1 23.722 47.445 0.225 9.84 2 83.6 77.8
84 -2 -1 1 23.738 47.475 0.225 9.82 2 31.8 11.2
85 2 1 3 23.792 47.584 0.226 9.77 2 13.0 1.9
86 1 -2 3 23.887 47.773 0.226 9.68 2 55.0 33.1
87 2 0 4 23.958 47.916 0.227 9.62 2 86.0 80.4
88 -1 2 3 23.986 47.972 0.227 9.59 2 88.5 85.0
89 1 2 4 23.994 47.987 0.227 9.58 2 51.2 28.4
90 1 1 6 24.116 48.231 0.228 9.48 2 32.6 11.4
91 0 -2 4 24.314 48.628 0.23 9.3 2 127.9 172.1
92 0 -1 6 24.417 48.834 0.231 9.21 2 57.3 34.2
93 -1 -1 5 24.635 49.27 0.233 9.03 2 53.3 29.0
94 2 -1 3 24.644 49.287 0.233 9.02 2 3.3 0.1
95 -2 1 2 24.958 49.915 0.236 8.76 2 7.6 0.6
96 0 2 5 25.0 50.001 0.236 8.73 2 188.8 351.8
97 -1 -2 3 25.074 50.148 0.237 8.67 2 18.0 3.2
98 -2 0 3 25.151 50.303 0.238 8.61 2 12.9 1.6
99 -2 -1 2 25.183 50.367 0.238 8.59 2 67.5 44.3
100 2 1 4 25.261 50.522 0.239 8.53 2 98.7 93.9
101 1 -1 6 25.492 50.984 0.241 8.35 2 105.7 105.5
102 0 0 7 25.703 51.405 0.242 8.2 2 164.5 250.7
103 -1 0 6 25.726 51.452 0.243 8.18 2 16.3 2.5
104 1 -2 4 25.887 51.775 0.244 8.06 2 21.0 4.0
105 -1 2 4 26.012 52.025 0.245 7.98 2 2.8 0.1
106 2 0 5 26.086 52.172 0.246 7.92 2 100.5 90.4
107 1 2 5 26.135 52.27 0.246 7.89 2 70.5 44.3
108 2 -1 4 26.282 52.564 0.248 7.79 2 81.3 58.2
109 1 0 7 26.475 52.95 0.249 7.66 2 22.5 4.4
110 -2 1 3 26.701 53.403 0.251 7.51 2 119.3 121.0
111 0 1 7 26.736 53.472 0.251 7.49 2 84.5 60.4
112 -1 1 6 26.906 53.812 0.253 7.39 2 127.8 136.3
113 0 -2 5 27.056 54.113 0.254 7.29 2 177.0 258.4
114 -2 -1 3 27.117 54.234 0.255 7.26 2 163.4 218.9
115 2 1 5 27.215 54.431 0.256 7.2 2 135.7 149.8
116 -1 -2 4 27.439 54.878 0.258 7.06 2 44.6 15.9
117 1 1 7 27.442 54.884 0.258 7.06 2 165.3 218.2
118 -2 0 4 27.527 55.054 0.258 7.01 2 187.6 279.1
119 2 2 1 27.757 55.514 0.26 6.88 2 228.4 405.8
120 0 3 1 27.79 55.58 0.261 6.86 2 35.6 9.8
121 0 3 0 27.818 55.636 0.261 6.85 2 69.6 37.5
122 0 2 6 27.834 55.668 0.261 6.84 2 101.8 80.2
123 2 2 2 27.937 55.875 0.262 6.78 2 91.0 63.4
124 -1 -1 6 28.003 56.005 0.262 6.74 2 149.6 170.7
125 2 2 0 28.109 56.217 0.263 6.69 2 28.4 6.1
126 0 -1 7 28.124 56.247 0.263 6.68 2 53.4 21.6
127 0 3 2 28.292 56.584 0.265 6.59 2 79.4 47.0
128 1 -2 5 28.314 56.627 0.265 6.58 2 105.5 82.8
129 0 -3 1 28.375 56.751 0.266 6.54 2 75.6 42.3
130 2 -1 5 28.381 56.762 0.266 6.54 2 149.7 165.7
131 -1 2 5 28.461 56.921 0.266 6.5 2 82.4 50.0
132 -2 2 0 28.47 56.941 0.266 6.5 2 199.6 292.5
133 2 -2 1 28.51 57.02 0.267 6.48 2 215.5 340.1
134 2 0 6 28.623 57.247 0.268 6.42 2 178.2 230.5
135 2 2 3 28.643 57.286 0.268 6.41 2 83.1 50.0
136 1 2 6 28.684 57.368 0.268 6.39 2 37.1 9.9
137 -2 1 4 28.892 57.785 0.27 6.28 2 129.3 118.8
138 1 -1 7 28.896 57.792 0.27 6.28 2 86.4 53.1
139 -2 2 1 28.953 57.906 0.271 6.25 2 7.1 0.4
140 -2 -2 1 28.979 57.959 0.271 6.24 2 115.3 93.8
141 2 -2 2 29.071 58.141 0.272 6.2 2 78.3 42.9
142 0 3 3 29.306 58.613 0.274 6.08 2 43.5 13.0
143 -1 0 7 29.425 58.85 0.275 6.03 2 136.8 127.5
144 0 -3 2 29.442 58.885 0.275 6.02 2 32.9 7.4
145 -2 -1 4 29.477 58.954 0.275 6.01 2 65.4 29.0
146 2 1 6 29.593 59.187 0.276 5.95 2 94.8 60.5
147 1 3 1 29.622 59.244 0.276 5.94 2 5.3 0.2
148 0 0 8 29.713 59.426 0.277 5.9 2 173.4 200.6
149 2 2 4 29.849 59.699 0.278 5.84 2 144.7 138.3
150 1 3 0 29.851 59.703 0.278 5.84 2 167.1 184.4
151 1 3 2 29.903 59.806 0.279 5.82 2 165.2 179.5
152 -2 2 2 29.942 59.883 0.279 5.8 2 149.3 146.2
153 -1 3 0 30.113 60.226 0.28 5.73 2 20.8 2.8
154 0 -2 6 30.129 60.259 0.281 5.72 2 76.6 38.0
155 2 -2 3 30.133 60.267 0.281 5.72 2 119.8 92.7
156 -1 -2 5 30.182 60.365 0.281 5.7 2 70.6 32.1
157 1 0 8 30.217 60.433 0.281 5.68 2 140.1 126.1
158 -2 0 5 30.279 60.558 0.282 5.66 2 58.4 21.8
159 -1 3 1 30.287 60.573 0.282 5.65 2 95.0 57.7
160 -2 -2 2 30.341 60.681 0.282 5.63 2 104.2 69.2
161 -1 1 7 30.416 60.832 0.283 5.6 2 32.6 6.7
162 1 -3 1 30.444 60.889 0.283 5.59 2 140.5 124.7
163 0 1 8 30.563 61.126 0.284 5.54 2 37.2 8.7
164 -1 -3 1 30.584 61.168 0.284 5.53 2 99.9 62.4
165 1 3 3 30.686 61.372 0.285 5.49 2 64.2 25.6
166 0 3 4 30.802 61.604 0.286 5.44 2 101.4 63.3
167 2 -1 6 30.885 61.77 0.287 5.41 2 9.0 0.5
168 -1 3 2 30.961 61.922 0.288 5.38 2 118.1 84.9
169 0 -3 3 30.986 61.973 0.288 5.37 2 115.7 81.3
170 0 2 7 30.988 61.976 0.288 5.37 2 108.4 71.4
171 1 1 8 31.015 62.031 0.288 5.36 2 25.3 3.9
172 1 -2 6 31.11 62.221 0.289 5.33 2 53.1 16.9
173 1 -3 2 31.272 62.543 0.29 5.26 2 47.1 13.2
174 -1 2 6 31.277 62.554 0.29 5.26 2 53.2 16.8
175 -2 2 3 31.408 62.816 0.291 5.21 2 34.9 7.2
176 -2 1 5 31.479 62.957 0.292 5.19 2 4.8 0.1
177 2 0 7 31.519 63.038 0.292 5.17 2 52.3 16.0
178 2 2 5 31.523 63.046 0.292 5.17 2 46.1 12.4
179 1 2 7 31.59 63.181 0.293 5.15 2 54.7 17.4
180 -1 -1 7 31.615 63.231 0.293 5.14 2 56.9 18.8
181 2 -2 4 31.669 63.337 0.293 5.12 2 18.5 2.0
182 -1 -3 2 31.8 63.601 0.295 5.07 2 128.7 95.1
183 1 3 4 31.949 63.899 0.296 5.02 2 155.3 136.9
184 0 -1 8 32.024 64.048 0.296 5.0 2 57.9 18.9
185 3 0 1 32.095 64.191 0.297 4.97 2 99.1 55.3
186 -1 3 3 32.117 64.234 0.297 4.97 2 120.2 81.2
187 -2 -2 3 32.157 64.314 0.298 4.95 2 106.4 63.4
188 -2 -1 5 32.214 64.429 0.298 4.93 2 9.1 0.5
189 3 0 2 32.247 64.494 0.298 4.92 2 67.5 25.3
190 2 1 7 32.347 64.695 0.299 4.89 2 40.0 8.9
191 3 0 0 32.431 64.862 0.3 4.86 2 38.1 8.0
192 1 -1 8 32.548 65.096 0.301 4.83 2 78.6 33.7
193 1 -3 3 32.574 65.147 0.301 4.82 2 143.8 112.7
194 0 3 5 32.742 65.484 0.302 4.76 2 137.2 101.5
195 3 0 3 32.882 65.764 0.303 4.72 2 42.2 9.5
196 0 -3 4 32.971 65.942 0.304 4.69 2 136.8 99.3
197 -3 0 1 33.247 66.494 0.306 4.61 2 76.1 30.2
198 -1 -2 6 33.265 66.529 0.307 4.61 2 26.4 3.6
199 -2 2 4 33.317 66.634 0.307 4.59 2 114.5 68.0
200 -1 0 8 33.335 66.67 0.307 4.59 2 96.0 47.8
201 -2 0 6 33.37 66.74 0.307 4.58 2 131.1 88.9
202 3 1 1 33.405 66.811 0.308 4.56 2 64.1 21.2
203 3 1 2 33.466 66.932 0.308 4.55 2 99.3 50.7
204 -1 -3 3 33.471 66.942 0.308 4.55 2 196.0 197.5
205 0 -2 7 33.504 67.007 0.309 4.54 2 160.8 132.7
206 2 2 6 33.626 67.253 0.31 4.5 2 146.7 109.5
207 2 -2 5 33.642 67.284 0.31 4.5 2 146.8 109.6
208 1 3 5 33.665 67.329 0.31 4.49 2 190.7 184.6
209 -1 3 4 33.729 67.459 0.31 4.47 2 170.9 147.6
210 2 -1 7 33.754 67.508 0.311 4.47 2 68.6 23.8
211 3 1 0 33.822 67.645 0.311 4.45 2 145.3 106.1
212 3 -1 1 33.827 67.654 0.311 4.45 2 6.8 0.2
213 0 0 9 33.891 67.782 0.312 4.43 2 28.3 4.0
214 3 0 4 33.988 67.975 0.312 4.4 2 50.8 12.9
215 3 1 3 34.002 68.004 0.313 4.4 2 128.8 82.5
216 3 -1 2 34.062 68.124 0.313 4.38 2 146.9 106.9
217 -3 1 0 34.067 68.133 0.313 4.38 2 129.1 82.6
218 1 0 9 34.173 68.345 0.314 4.35 2 105.9 55.2
219 -1 1 8 34.174 68.349 0.314 4.35 2 152.2 114.0
220 1 -2 7 34.244 68.489 0.315 4.33 2 61.0 18.2
221 1 -3 4 34.322 68.645 0.315 4.31 2 179.9 157.8
222 -2 -2 4 34.393 68.785 0.316 4.3 2 143.0 99.4
223 -2 1 6 34.424 68.847 0.316 4.29 2 82.3 32.8
224 -1 2 7 34.429 68.858 0.316 4.29 2 72.9 25.8
225 0 2 8 34.44 68.879 0.316 4.28 2 172.7 144.4
226 -3 0 2 34.525 69.05 0.317 4.26 2 21.7 2.3
227 0 1 9 34.597 69.194 0.317 4.24 2 83.2 33.2
228 -3 -1 1 34.708 69.416 0.318 4.22 2 6.5 0.2
229 2 0 8 34.744 69.488 0.319 4.21 2 147.3 103.2
230 3 -1 3 34.767 69.534 0.319 4.2 2 77.7 28.7
231 -3 1 1 34.777 69.553 0.319 4.2 2 106.6 53.9
232 1 2 8 34.825 69.649 0.319 4.19 2 82.9 32.5
233 1 1 9 34.836 69.672 0.319 4.18 2 146.0 100.8
234 3 1 4 35.004 70.008 0.321 4.14 2 67.2 21.2
235 0 3 6 35.092 70.185 0.321 4.12 2 26.7 3.3
236 -2 -1 6 35.3 70.599 0.323 4.07 2 86.5 34.5
237 0 -3 5 35.363 70.727 0.324 4.06 2 2.9 0.0
238 2 3 1 35.375 70.75 0.324 4.06 2 40.3 7.5
239 2 3 2 35.447 70.894 0.324 4.04 2 51.2 12.0
240 2 1 8 35.448 70.896 0.324 4.04 2 73.0 24.4
241 -1 -1 8 35.477 70.955 0.324 4.03 2 150.6 103.4
242 3 0 5 35.542 71.084 0.325 4.02 2 6.6 0.2
243 -1 -3 4 35.567 71.135 0.325 4.01 2 42.3 8.1
244 -2 2 5 35.639 71.278 0.326 4.0 2 113.6 58.3
245 2 3 0 35.768 71.536 0.327 3.97 2 30.5 4.2
246 -1 3 5 35.77 71.539 0.327 3.97 2 69.1 21.4
247 1 3 6 35.803 71.605 0.327 3.96 2 17.3 1.3
248 3 -1 4 35.93 71.86 0.328 3.93 2 142.3 90.0
249 -3 1 2 35.944 71.888 0.328 3.93 2 159.9 113.7
250 2 3 3 35.982 71.965 0.328 3.92 2 36.7 6.0
251 2 -2 6 36.024 72.048 0.329 3.91 2 86.7 33.3
252 -3 -1 2 36.047 72.094 0.329 3.91 2 169.2 126.6
253 2 2 7 36.13 72.26 0.33 3.89 2 49.3 10.7
254 0 -1 9 36.143 72.286 0.33 3.89 2 108.4 51.6
255 -3 0 3 36.244 72.488 0.33 3.87 2 9.7 0.4
256 -2 3 0 36.244 72.488 0.33 3.87 2 16.6 1.2
257 2 -3 1 36.364 72.728 0.331 3.84 2 51.2 11.4
258 3 1 5 36.455 72.909 0.332 3.83 2 173.5 130.3
259 1 -1 9 36.456 72.912 0.332 3.83 2 166.9 120.5
260 1 -3 5 36.492 72.983 0.332 3.82 2 20.3 1.8
261 -2 3 1 36.585 73.17 0.333 3.8 2 61.2 16.1
262 -2 -3 1 36.62 73.24 0.333 3.79 2 37.2 5.9
263 -1 -2 7 36.669 73.338 0.334 3.78 2 98.0 41.1
264 -2 0 7 36.782 73.565 0.335 3.76 2 133.3 75.6
265 2 -3 2 36.943 73.885 0.336 3.73 2 40.3 6.9
266 2 -1 8 36.967 73.934 0.336 3.73 2 50.0 10.5
267 2 3 4 36.974 73.947 0.336 3.72 2 8.5 0.3
268 -2 -2 5 37.021 74.042 0.337 3.72 2 3.2 0.0
269 0 -2 8 37.174 74.348 0.338 3.69 2 73.5 22.5
270 -2 3 2 37.382 74.763 0.339 3.65 2 18.2 1.4
271 -1 0 9 37.482 74.964 0.34 3.63 2 17.7 1.3
272 3 0 6 37.525 75.049 0.34 3.62 2 77.9 24.8
273 3 -1 5 37.534 75.067 0.341 3.62 2 205.8 173.5
274 -3 1 3 37.553 75.105 0.341 3.62 2 180.8 133.7
275 3 2 2 37.576 75.152 0.341 3.62 2 90.4 33.4
276 3 2 1 37.602 75.205 0.341 3.61 2 121.6 60.4
277 1 -2 8 37.703 75.407 0.342 3.59 2 153.5 95.7
278 -2 1 7 37.711 75.422 0.342 3.59 2 25.4 2.6
279 -3 -1 3 37.821 75.642 0.343 3.57 2 118.4 56.6
280 0 3 7 37.83 75.66 0.343 3.57 2 66.9 18.1
281 -1 2 8 37.906 75.813 0.343 3.56 2 154.7 96.3
282 -2 -3 2 37.919 75.838 0.344 3.56 2 62.8 15.9
283 2 -3 3 37.972 75.944 0.344 3.55 2 15.7 1.0
284 3 2 3 38.004 76.008 0.344 3.54 2 46.0 8.5
285 -1 -3 5 38.066 76.133 0.345 3.53 2 112.6 50.7
286 3 2 0 38.083 76.165 0.345 3.53 2 26.6 2.8
287 0 -3 6 38.141 76.283 0.345 3.52 2 33.0 4.3
288 0 2 9 38.19 76.38 0.346 3.51 2 22.9 2.1
289 -1 1 9 38.199 76.398 0.346 3.51 2 103.6 42.6
290 -1 3 6 38.216 76.432 0.346 3.51 2 134.5 71.8
291 0 0 10 38.285 76.57 0.346 3.5 2 124.8 61.6
292 2 0 9 38.291 76.581 0.346 3.5 2 93.6 34.6
293 3 1 6 38.336 76.672 0.347 3.49 2 85.7 29.0
294 1 3 7 38.342 76.684 0.347 3.49 2 117.4 54.4
295 -2 2 6 38.351 76.702 0.347 3.49 2 80.1 25.3
296 0 4 1 38.371 76.743 0.347 3.48 2 148.4 86.8
297 1 0 10 38.374 76.748 0.347 3.48 2 24.6 2.4
298 1 2 9 38.381 76.762 0.347 3.48 2 99.7 39.1
299 -3 0 4 38.384 76.768 0.347 3.48 2 79.6 25.0
300 3 -2 1 38.403 76.807 0.347 3.48 2 75.0 22.1
301 2 3 5 38.408 76.815 0.347 3.48 2 93.3 34.2
302 0 4 0 38.478 76.957 0.348 3.47 2 122.0 58.4
303 -3 2 0 38.548 77.096 0.348 3.46 2 58.3 13.3
304 -2 3 3 38.624 77.248 0.349 3.45 2 57.3 12.8
305 3 -2 2 38.71 77.419 0.35 3.43 2 35.9 5.0
306 0 4 2 38.716 77.431 0.35 3.43 2 18.0 1.3
307 -2 -1 7 38.723 77.446 0.35 3.43 2 8.9 0.3
308 2 -2 7 38.794 77.588 0.35 3.42 2 96.6 36.1
309 0 1 10 38.876 77.751 0.351 3.41 2 84.8 27.7
310 3 2 4 38.881 77.762 0.351 3.41 2 70.6 19.2
311 2 1 9 38.887 77.774 0.351 3.41 2 4.1 0.1
312 1 1 10 38.926 77.852 0.351 3.4 2 57.9 12.9
313 -3 -2 1 39.012 78.023 0.352 3.39 2 55.1 11.6
314 2 2 8 39.016 78.032 0.352 3.39 2 132.3 67.1
315 0 -4 1 39.036 78.071 0.352 3.38 2 90.0 31.0
316 1 -3 6 39.062 78.124 0.352 3.38 2 118.3 53.5
317 -3 2 1 39.143 78.286 0.353 3.37 2 2.4 0.0
318 2 -3 4 39.442 78.883 0.355 3.33 2 86.1 27.9
319 3 -2 3 39.464 78.929 0.355 3.32 2 26.3 2.6
320 0 4 3 39.508 79.016 0.356 3.32 2 141.1 74.7
321 3 -1 6 39.562 79.125 0.356 3.31 2 33.3 4.2
322 -3 1 4 39.586 79.171 0.356 3.31 2 60.9 13.9
323 -1 -1 9 39.614 79.229 0.356 3.3 2 41.6 6.5
324 -2 -3 3 39.651 79.303 0.357 3.3 2 103.2 39.7
325 1 4 1 39.909 79.818 0.359 3.27 2 78.1 22.5
326 3 0 7 39.919 79.837 0.359 3.26 2 35.0 4.5
327 -3 -1 4 40.015 80.03 0.359 3.25 2 51.5 9.7
328 -2 -2 6 40.029 80.058 0.36 3.25 2 163.2 97.8
329 0 -4 2 40.038 80.076 0.36 3.25 2 106.0 41.2
330 1 4 2 40.073 80.146 0.36 3.25 2 79.4 23.1
331 -3 2 2 40.182 80.364 0.361 3.23 2 57.6 12.1
332 1 4 0 40.192 80.384 0.361 3.23 2 80.4 23.6
333 3 2 5 40.199 80.398 0.361 3.23 2 68.7 17.2
334 2 3 6 40.272 80.543 0.361 3.22 2 84.0 25.7
335 -2 3 4 40.301 80.601 0.362 3.22 2 80.5 23.6
336 -3 -2 2 40.38 80.76 0.362 3.21 2 41.8 6.3
337 -1 -2 8 40.402 80.804 0.362 3.21 2 60.5 13.3
338 -1 4 0 40.498 80.996 0.363 3.19 2 87.3 27.5
339 -2 0 8 40.524 81.049 0.363 3.19 2 17.0 1.0
340 2 -1 9 40.525 81.05 0.363 3.19 2 76.4 21.1
341 0 -1 10 40.525 81.05 0.363 3.19 2 18.9 1.3
342 -1 4 1 40.569 81.138 0.364 3.19 2 61.7 13.7
343 3 1 7 40.634 81.268 0.364 3.18 2 96.6 33.5
344 1 -1 10 40.651 81.302 0.364 3.18 2 7.8 0.2
345 3 -2 4 40.661 81.321 0.364 3.18 2 48.4 8.4
346 1 4 3 40.682 81.364 0.364 3.17 2 5.8 0.1
347 0 4 4 40.741 81.482 0.365 3.17 2 42.2 6.4
348 1 -4 1 40.872 81.744 0.366 3.15 2 14.4 0.7
349 -1 -4 1 40.919 81.839 0.366 3.15 2 40.4 5.8
350 -3 0 5 40.932 81.863 0.366 3.15 2 39.8 5.6
351 0 3 8 40.947 81.894 0.366 3.14 2 49.6 8.7
352 -1 -3 6 40.957 81.915 0.366 3.14 2 64.5 14.8
353 -1 3 7 41.057 82.115 0.367 3.13 2 67.7 16.2
354 -1 4 2 41.084 82.169 0.367 3.13 2 2.7 0.0
355 0 -2 9 41.16 82.321 0.368 3.12 2 95.7 32.3
356 1 3 8 41.273 82.545 0.369 3.11 2 68.0 16.3
357 0 -3 7 41.299 82.597 0.369 3.11 2 60.4 12.8
358 2 -3 5 41.34 82.681 0.369 3.1 2 53.6 10.1
359 -2 1 8 41.346 82.692 0.369 3.1 2 81.0 23.0
360 -2 2 7 41.447 82.895 0.37 3.09 2 146.1 74.6
361 0 -4 3 41.478 82.956 0.37 3.09 2 16.1 0.9
362 1 -2 9 41.5 83.0 0.37 3.09 2 60.6 12.8
363 -3 2 3 41.658 83.316 0.372 3.07 2 7.0 0.2
364 1 -4 2 41.688 83.377 0.372 3.07 2 70.7 17.3
365 -1 2 9 41.723 83.446 0.372 3.06 2 61.9 13.3
366 1 4 4 41.732 83.464 0.372 3.06 2 78.4 21.3
367 -2 -3 4 41.807 83.615 0.373 3.06 2 3.8 0.0
368 -1 0 10 41.915 83.831 0.373 3.05 2 90.6 28.3
369 2 -2 8 41.949 83.899 0.374 3.04 2 158.3 86.2
370 3 2 6 41.95 83.9 0.374 3.04 2 44.8 6.9
371 3 -1 7 42.007 84.013 0.374 3.04 2 110.6 42.0
372 1 -3 7 42.027 84.054 0.374 3.04 2 30.7 3.2
373 -3 1 5 42.034 84.069 0.374 3.04 2 123.4 52.2
374 -1 4 3 42.041 84.082 0.374 3.03 2 79.0 21.4
375 -1 -4 2 42.087 84.173 0.375 3.03 2 36.1 4.5
376 2 0 10 42.177 84.355 0.375 3.02 2 90.4 27.9
377 -3 -2 3 42.181 84.361 0.375 3.02 2 54.8 10.3
378 0 2 10 42.267 84.533 0.376 3.01 2 96.4 31.7
379 1 2 10 42.278 84.556 0.376 3.01 2 8.7 0.3
380 2 2 9 42.283 84.567 0.376 3.01 2 138.1 64.9
381 3 -2 5 42.292 84.583 0.376 3.01 2 22.0 1.7
382 -2 3 5 42.403 84.806 0.377 3.0 2 30.8 3.2
383 0 4 5 42.408 84.817 0.377 3.0 2 90.8 28.0
384 -2 -1 8 42.499 84.998 0.378 2.99 2 101.9 35.2
385 -1 1 10 42.532 85.064 0.378 2.99 2 30.9 3.2
386 2 3 7 42.557 85.115 0.378 2.99 2 22.9 1.8
387 -3 -1 5 42.621 85.242 0.379 2.98 2 116.0 45.4
388 2 1 10 42.68 85.359 0.379 2.98 2 98.9 33.0
389 3 0 8 42.719 85.437 0.379 2.98 2 1.6 0.0
390 1 0 11 42.875 85.751 0.38 2.96 2 72.1 17.4
391 1 -4 3 42.944 85.887 0.381 2.96 2 24.2 2.0
392 0 0 11 42.963 85.927 0.381 2.96 2 4.6 0.1
393 1 4 5 43.219 86.438 0.383 2.94 2 12.9 0.6
394 1 1 11 43.334 86.667 0.384 2.93 2 82.4 22.5
395 3 1 8 43.345 86.69 0.384 2.93 2 91.2 27.5
396 0 -4 4 43.35 86.699 0.384 2.93 2 144.6 69.2
397 -2 -2 7 43.423 86.847 0.384 2.92 2 100.3 33.2
398 -1 4 4 43.435 86.871 0.384 2.92 2 0.8 0.0
399 0 1 11 43.459 86.918 0.384 2.92 2 77.2 19.7
400 -3 2 4 43.566 87.131 0.385 2.91 2 62.6 12.9
401 2 -3 6 43.663 87.327 0.386 2.91 2 28.3 2.6
402 -1 -4 3 43.689 87.379 0.386 2.9 2 6.4 0.1
403 -3 0 6 43.888 87.775 0.388 2.89 2 61.3 12.3
404 -1 -1 10 44.08 88.161 0.389 2.88 2 93.9 28.7
405 3 2 7 44.129 88.259 0.389 2.88 2 72.0 16.8
406 -1 -3 7 44.248 88.495 0.39 2.87 2 83.9 22.9
407 -1 3 8 44.3 88.6 0.39 2.87 2 95.0 29.2
408 3 3 2 44.315 88.631 0.391 2.87 2 65.5 13.9
409 3 -2 6 44.354 88.708 0.391 2.86 2 75.7 18.6
410 -2 -3 5 44.385 88.771 0.391 2.86 2 62.4 12.6
411 -3 -2 4 44.41 88.82 0.391 2.86 2 92.3 27.5
412 3 3 1 44.422 88.844 0.391 2.86 2 132.3 56.6
413 2 -1 10 44.454 88.908 0.391 2.86 2 84.5 23.1
414 0 3 9 44.456 88.913 0.392 2.86 2 40.1 5.2
415 -1 -2 9 44.497 88.994 0.392 2.85 2 52.2 8.8
416 0 4 6 44.507 89.014 0.392 2.85 2 124.6 50.1
417 1 3 9 44.604 89.209 0.393 2.85 2 98.9 31.5
418 -2 0 9 44.63 89.261 0.393 2.85 2 116.2 43.5
419 1 -4 4 44.635 89.27 0.393 2.85 2 32.1 3.3
420 3 3 3 44.649 89.298 0.393 2.85 2 124.1 49.6
421 0 -3 8 44.851 89.703 0.394 2.84 2 87.1 24.3
422 3 -1 8 44.869 89.738 0.394 2.84 2 74.6 17.8
423 -3 1 6 44.901 89.802 0.395 2.83 2 57.0 10.4
424 -2 3 6 44.932 89.863 0.395 2.83 2 69.8 15.6
425 -2 2 8 44.942 89.885 0.395 2.83 2 109.0 38.0
426 3 3 0 44.969 89.937 0.395 2.83 2 90.5 26.2
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 0 1 3.552 7.104 14.43674 5470.8 100.0 100.0 5.5
2 0 0 2 7.118 14.236 7.21837 2597.0 47.5 47.3 5.6
3 0 1 0 8.949 17.898 5.75013 90.3 1.7 1.6 5.6
4 0 1 1 9.39 18.781 5.48209 342.4 6.3 6.2 5.6
5 0 -1 1 9.882 19.763 5.21211 132.1 2.4 2.4 5.6
6 1 0 0 10.298 20.595 5.00363 1406.8 25.7 25.5 5.6
7 1 0 1 10.426 20.853 4.94255 752.1 13.7 13.6 5.6
8 0 0 3 10.712 21.424 4.81225 1538.8 28.1 27.9 5.6
9 0 1 2 11.048 22.096 4.6676 65.8 1.2 1.2 5.6
10 -1 0 1 11.366 22.732 4.53867 87.1 1.6 1.6 5.6
11 1 0 2 11.714 23.429 4.40547 63.6 1.2 1.2 5.6
12 0 -1 2 11.88 23.761 4.34483 67.5 1.2 1.2 5.6
13 -1 0 2 13.361 26.722 3.87075 66.1 1.2 1.2 5.6
14 1 1 1 13.548 27.095 3.81835 299.9 5.5 5.4 5.6
15 1 1 0 13.625 27.251 3.79696 611.1 11.2 11.0 5.6
16 -1 1 0 13.789 27.579 3.75268 73.5 1.3 1.3 5.6
17 1 0 3 13.859 27.717 3.73431 189.5 3.5 3.4 5.6
18 1 -1 1 14.06 28.121 3.68177 866.2 15.8 15.6 5.6
19 0 0 4 14.349 28.698 3.60918 230.3 4.2 4.1 5.6
20 1 1 2 14.41 28.82 3.59421 908.8 16.6 16.4 5.6
21 -1 1 1 14.451 28.903 3.58416 1373.8 25.1 24.8 5.6
22 0 -1 3 14.535 29.071 3.56391 153.4 2.8 2.8 5.6
23 -1 -1 1 14.63 29.259 3.54143 821.0 15.0 14.8 5.6
24 1 -1 2 15.219 30.437 3.40742 671.1 12.3 12.1 5.6
25 -1 0 3 15.963 31.926 3.25234 173.8 3.2 3.1 5.6
26 0 1 4 16.425 32.851 3.16323 373.4 6.8 6.7 5.6
27 1 0 4 16.556 33.112 3.13896 64.0 1.2 1.1 5.6
28 1 -1 3 17.101 34.203 3.04174 385.8 7.1 6.9 5.7
29 0 -1 4 17.585 35.17 2.96063 333.0 6.1 6.0 5.7
30 -1 1 3 18.074 36.147 2.88313 1425.9 26.1 25.5 5.7
31 0 2 0 18.126 36.252 2.87506 869.4 15.9 15.6 5.7
32 0 2 1 18.224 36.447 2.86019 418.9 7.7 7.5 5.7
33 1 1 4 18.347 36.694 2.84165 1395.9 25.5 25.0 5.7
34 -1 -1 3 18.759 37.518 2.78138 1559.1 28.5 27.9 5.7
35 -1 0 4 18.959 37.917 2.75315 59.6 1.1 1.1 5.7
36 1 -1 4 19.526 39.052 2.67613 521.9 9.5 9.3 5.7
37 1 0 5 19.616 39.232 2.66436 93.6 1.7 1.7 5.7
38 0 1 5 19.651 39.302 2.65978 72.8 1.3 1.3 5.7
39 0 -2 2 20.073 40.147 2.60605 347.3 6.3 6.2 5.7
40 0 2 3 20.518 41.036 2.55196 400.7 7.3 7.1 5.7
41 -1 1 4 20.683 41.366 2.53247 171.1 3.1 3.0 5.7
42 2 0 1 20.755 41.509 2.52412 638.6 11.7 11.4 5.7
43 1 2 0 20.914 41.828 2.5057 84.6 1.5 1.5 5.7
44 2 0 0 20.948 41.896 2.50182 136.4 2.5 2.4 5.7
45 1 1 5 21.063 42.127 2.48876 398.2 7.3 7.1 5.7
46 -1 2 0 21.14 42.279 2.48019 288.9 5.3 5.1 5.7
47 1 -2 1 21.446 42.893 2.44634 208.4 3.8 3.7 5.7
48 -1 2 1 21.483 42.965 2.44242 152.0 2.8 2.7 5.7
49 -1 -1 4 21.536 43.071 2.43668 245.7 4.5 4.4 5.7
50 -2 0 1 21.786 43.573 2.40999 100.9 1.8 1.8 5.7
51 0 -2 3 21.958 43.917 2.39204 84.8 1.6 1.5 5.7
52 -1 0 5 22.231 44.462 2.36415 95.9 1.8 1.7 5.7
53 2 0 3 22.31 44.62 2.35623 216.6 4.0 3.8 5.7
54 2 1 2 22.871 45.742 2.30142 236.3 4.3 4.2 5.7
55 1 0 6 22.937 45.875 2.29511 77.9 1.4 1.4 5.7
56 -2 0 2 23.213 46.426 2.26934 195.9 3.6 3.5 5.7
57 2 -1 2 23.527 47.054 2.24073 97.8 1.8 1.7 5.7
58 -2 1 1 23.722 47.445 2.22333 89.0 1.6 1.6 5.7
59 -1 2 3 23.986 47.972 2.20031 193.8 3.5 3.4 5.7
60 0 -2 4 24.314 48.628 2.17242 172.1 3.1 3.0 5.7
61 0 2 5 25.0 50.001 2.11645 351.8 6.4 6.2 5.7
62 2 1 4 25.261 50.522 2.096 93.9 1.7 1.7 5.8
63 1 -1 6 25.492 50.984 2.07829 105.5 1.9 1.9 5.8
64 0 0 7 25.703 51.405 2.06239 253.1 4.6 4.5 5.8
65 2 0 5 26.086 52.172 2.03417 90.4 1.7 1.6 5.8
66 2 -1 4 26.282 52.564 2.02005 58.2 1.1 1.0 5.8
67 -2 1 3 26.701 53.403 1.99061 121.0 2.2 2.1 5.8
68 0 1 7 26.736 53.472 1.98823 60.4 1.1 1.1 5.8
69 -1 1 6 26.906 53.812 1.97659 136.3 2.5 2.4 5.8
70 0 -2 5 27.056 54.113 1.96642 258.4 4.7 4.5 5.8
71 -2 -1 3 27.117 54.234 1.96237 218.9 4.0 3.8 5.8
72 2 1 5 27.215 54.431 1.9558 149.8 2.7 2.6 5.8
73 1 1 7 27.442 54.884 1.9409 234.0 4.3 4.1 5.8
74 -2 0 4 27.527 55.054 1.93538 279.1 5.1 4.9 5.8
75 2 2 1 27.757 55.514 1.92058 405.8 7.4 7.1 5.8
76 0 2 6 27.834 55.668 1.9157 127.5 2.3 2.2 5.8
77 2 2 2 27.937 55.875 1.90917 63.4 1.2 1.1 5.8
78 -1 -1 6 28.003 56.005 1.90509 170.7 3.1 3.0 5.8
79 1 -2 5 28.314 56.627 1.88587 129.8 2.4 2.3 5.8
80 2 -1 5 28.381 56.762 1.88176 208.0 3.8 3.6 5.8
81 -2 2 0 28.47 56.941 1.87634 342.4 6.3 6.0 5.8
82 2 -2 1 28.51 57.02 1.87395 340.1 6.2 5.9 5.8
83 2 0 6 28.623 57.247 1.86715 280.5 5.1 4.9 5.8
84 -2 1 4 28.892 57.785 1.85124 171.8 3.1 3.0 5.8
85 -2 -2 1 28.979 57.959 1.84617 93.8 1.7 1.6 5.8
86 -1 0 7 29.425 58.85 1.82066 134.9 2.5 2.4 5.8
87 2 1 6 29.593 59.187 1.81122 60.7 1.1 1.1 5.8
88 0 0 8 29.713 59.426 1.80459 200.6 3.7 3.5 5.8
89 1 3 0 29.851 59.703 1.797 322.7 5.9 5.6 5.8
90 1 3 2 29.903 59.806 1.79419 179.5 3.3 3.1 5.8
91 -2 2 2 29.942 59.883 1.79208 146.2 2.7 2.5 5.8
92 2 -2 3 30.133 60.267 1.78174 133.5 2.4 2.3 5.8
93 1 0 8 30.217 60.433 1.7773 126.1 2.3 2.2 5.8
94 -1 3 1 30.287 60.573 1.77357 79.5 1.5 1.4 5.8
95 -2 -2 2 30.341 60.681 1.77071 69.2 1.3 1.2 5.8
96 1 -3 1 30.444 60.889 1.76526 131.4 2.4 2.3 5.8
97 -1 -3 1 30.584 61.168 1.75796 71.0 1.3 1.2 5.8
98 0 3 4 30.802 61.604 1.74674 63.3 1.2 1.1 5.8
99 -1 3 2 30.961 61.922 1.73866 237.5 4.3 4.1 5.8
100 -1 -3 2 31.8 63.601 1.6974 95.1 1.7 1.6 5.9
101 1 3 4 31.949 63.899 1.6903 136.9 2.5 2.4 5.9
102 -1 3 3 32.117 64.234 1.68241 136.4 2.5 2.4 5.9
103 -2 -2 3 32.157 64.314 1.68056 63.4 1.2 1.1 5.9
104 1 -3 3 32.574 65.147 1.66138 146.4 2.7 2.5 5.9
105 0 3 5 32.742 65.484 1.65379 101.5 1.9 1.8 5.9
106 0 -3 4 32.971 65.942 1.64358 99.3 1.8 1.7 5.9
107 -2 2 4 33.317 66.634 1.62844 115.8 2.1 2.0 5.9
108 -2 0 6 33.37 66.74 1.62617 88.9 1.6 1.5 5.9
109 -1 -3 3 33.471 66.942 1.62183 248.2 4.5 4.3 5.9
110 0 -2 7 33.504 67.007 1.62043 132.7 2.4 2.3 5.9
111 2 -2 5 33.642 67.284 1.61453 403.7 7.4 6.9 5.9
112 -1 3 4 33.729 67.459 1.61085 171.4 3.1 2.9 5.9
113 3 1 0 33.822 67.645 1.60695 106.3 1.9 1.8 5.9
114 3 1 3 34.002 68.004 1.59946 95.4 1.7 1.6 5.9
115 3 -1 2 34.062 68.124 1.597 189.4 3.5 3.3 5.9
116 -1 1 8 34.174 68.349 1.59238 169.2 3.1 2.9 5.9
117 1 -3 4 34.322 68.645 1.58634 157.8 2.9 2.7 5.9
118 -2 -2 4 34.393 68.785 1.58351 99.4 1.8 1.7 5.9
119 0 2 8 34.44 68.879 1.58162 203.0 3.7 3.5 5.9
120 2 0 8 34.744 69.488 1.56948 131.9 2.4 2.3 5.9
121 1 1 9 34.836 69.672 1.56586 133.3 2.4 2.3 5.9
122 -1 -1 8 35.477 70.955 1.54116 139.7 2.6 2.4 5.9
123 -2 2 5 35.639 71.278 1.5351 58.3 1.1 1.0 5.9
124 -3 1 2 35.944 71.888 1.52379 203.7 3.7 3.5 5.9
125 -3 -1 2 36.047 72.094 1.52003 159.8 2.9 2.7 5.9
126 0 -1 9 36.143 72.286 1.51655 62.3 1.1 1.1 5.9
127 3 1 5 36.455 72.909 1.50535 250.7 4.6 4.3 6.0
128 -2 0 7 36.782 73.565 1.49381 75.6 1.4 1.3 6.0
129 -3 1 3 37.553 75.105 1.46756 332.1 6.1 5.6 6.0
130 3 2 1 37.602 75.205 1.4659 93.8 1.7 1.6 6.0
131 1 -2 8 37.703 75.407 1.46256 98.3 1.8 1.7 6.0
132 -3 -1 3 37.821 75.642 1.45868 74.7 1.4 1.3 6.0
133 -1 2 8 37.906 75.813 1.45589 112.2 2.1 1.9 6.0
134 -1 3 6 38.216 76.432 1.44588 116.5 2.1 2.0 6.0
135 0 0 10 38.285 76.57 1.44367 96.2 1.8 1.6 6.0
136 0 4 1 38.371 76.743 1.44092 261.9 4.8 4.4 6.0
137 2 3 5 38.408 76.815 1.43977 56.4 1.0 1.0 6.0
138 0 4 0 38.478 76.957 1.43753 58.4 1.1 1.0 6.0
139 0 -4 1 39.036 78.071 1.42022 163.2 3.0 2.8 6.0
140 0 4 3 39.508 79.016 1.40598 74.7 1.4 1.3 6.0
141 0 -4 2 40.038 80.076 1.39043 148.8 2.7 2.5 6.0
142 -2 2 7 41.447 82.895 1.35129 74.6 1.4 1.2 6.1
143 2 -2 8 41.949 83.899 1.33807 93.1 1.7 1.5 6.1
144 -3 1 5 42.034 84.069 1.33586 118.9 2.2 2.0 6.1
145 2 2 9 42.283 84.567 1.32946 98.5 1.8 1.6 6.1
146 0 -4 4 43.35 86.699 1.30303 119.2 2.2 2.0 6.1
147 3 3 1 44.422 88.844 1.27791 96.7 1.8 1.6 6.2
148 0 4 6 44.507 89.014 1.27598 58.9 1.1 1.0 6.2
149 -2 0 9 44.63 89.261 1.2732 127.9 2.3 2.1 6.2
150 -2 2 8 44.942 89.885 1.26623 90.2 1.6 1.5 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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