Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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HEYROVSKYITE
3
Pb(6)Bi(2)S(9)
Orthorhombic B bmm Z = 4
Bbmm
21 .6 .12
Ref.Str.:
Takeuchi Y., Takagi J. (1974)
* Proceedings of the Japan Academy, 50, 76-79
R: from Yakuki mine, Fukushima Prefecture, Japan.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.712 alpha = 90.0
b = 31.21 beta = 90.0
c = 4.131 gamma = 90.0
Unit cell volume (cub. angs.) = 1767.87
Molar volume ( cub.cm/mol.) = 266.21
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4174 0.25 0.0 0.0 Pb = 1.00
2 0.0 0.0 0.5 0.0 Pb = 1.00
3 0.229 0.0583 0.0 0.0 Pb = 1.00
4 0.1815 0.175 0.5 0.0 Pb = 0.5 , Bi = 0.5
5 0.4564 0.1199 0.5 0.0 Pb = 0.5 , Bi = 0.5
6 0.0463 0.1955 0.0 0.0 S = 1.00
7 0.0847 0.0863 0.5 0.0 S = 1.00
8 0.2772 0.25 0.5 0.0 S = 1.00
9 0.3299 0.147 0.0 0.0 S = 1.00
10 0.3598 0.0269 0.5 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4174 0.25 0.0
2 2 0.0 0.0 0.5
3 3 0.229 0.0583 0.0
4 4 0.1815 0.175 0.5
5 5 0.4564 0.1199 0.5
6 6 0.0463 0.1955 0.0
7 7 0.0847 0.0863 0.5
8 8 0.2772 0.25 0.5
9 9 0.3299 0.147 0.0
10 10 0.3598 0.0269 0.5
11 1 0.5826 0.75 0.0
12 3 0.771 0.9417 0.0
13 4 0.8185 0.825 0.5
14 5 0.5436 0.8801 0.5
15 6 0.9537 0.8045 0.0
16 7 0.9153 0.9137 0.5
17 8 0.7228 0.75 0.5
18 9 0.6701 0.853 0.0
19 10 0.6402 0.9731 0.5
20 2 0.0 0.5 0.5
21 3 0.229 0.4417 0.0
22 4 0.1815 0.325 0.5
23 5 0.4564 0.3801 0.5
24 6 0.0463 0.3045 0.0
25 7 0.0847 0.4137 0.5
26 9 0.3299 0.353 0.0
27 10 0.3598 0.4731 0.5
28 3 0.771 0.5583 0.0
29 4 0.8185 0.675 0.5
30 5 0.5436 0.6199 0.5
31 6 0.9537 0.6955 0.0
32 7 0.9153 0.5863 0.5
33 9 0.6701 0.647 0.0
34 10 0.6402 0.5269 0.5
35 1 0.0826 0.75 0.5
36 2 0.5 0.5 0.0
37 3 0.271 0.5583 0.5
38 4 0.3185 0.675 0.0
39 5 0.0436 0.6199 0.0
40 6 0.4537 0.6955 0.5
41 7 0.4153 0.5863 0.0
42 8 0.2228 0.75 0.0
43 9 0.1701 0.647 0.5
44 10 0.1402 0.5269 0.0
45 1 0.9174 0.25 0.5
46 3 0.729 0.4417 0.5
47 4 0.6815 0.325 0.0
48 5 0.9564 0.3801 0.0
49 6 0.5463 0.3045 0.5
50 7 0.5847 0.4137 0.0
51 8 0.7772 0.25 0.0
52 9 0.8299 0.353 0.5
53 10 0.8598 0.4731 0.0
54 2 0.5 0.0 0.0
55 3 0.271 0.9417 0.5
56 4 0.3185 0.825 0.0
57 5 0.0436 0.8801 0.0
58 6 0.4537 0.8045 0.5
59 7 0.4153 0.9137 0.0
60 9 0.1701 0.853 0.5
61 10 0.1402 0.9731 0.0
62 3 0.729 0.0583 0.5
63 4 0.6815 0.175 0.0
64 5 0.9564 0.1199 0.0
65 6 0.5463 0.1955 0.5
66 7 0.5847 0.0863 0.0
67 9 0.8299 0.147 0.5
68 10 0.8598 0.0269 0.0
X-ray density (g/cm cub.) = 7.32
MU (1/cm) = 1556.617 Mass attenuation coefficient (cm**2/g) = 212.567
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.696 8
2.8217 8
2.8217 8
3.4312 9
3.4312 9
3.2068 6
3.2068 6
3.2068 6
3.2068 6
2 Pb 3.696 6
2.9332 7
2.9332 7
2.9439 10
2.9439 10
2.944 10
2.944 10
3 Pb 3.696 6
2.9908 7
2.9908 7
3.0948 9
2.9058 10
2.9058 10
2.9246 10
4 Pb ,Bi 3.696 6
2.8482 6
2.8482 6
3.0701 7
2.6835 8
3.0283 9
3.0283 9
5 Pb ,Bi 3.696 6
2.8267 9
2.8267 9
3.1905 10
2.6621 6
2.9088 7
2.9088 7
6 S 4.368 11
4.131 6
4.131 6
4.0198 7
4.0198 7
4.1453 8
4.1453 8
4.1729 9
3.4019 6
4.0631 8
3.9195 9
3.9195 9
7 S 4.368 10
4.0198 6
4.0198 6
4.131 7
4.131 7
4.2031 10
4.1626 10
4.1626 10
3.9744 9
4.1489 10
4.1489 10
8 S 4.368 12
4.1453 6
4.1453 6
4.131 8
4.131 8
3.8887 9
3.8887 9
4.1453 6
4.1453 6
3.8887 9
3.8887 9
4.0631 6
4.0631 6
9 S 4.368 10
4.1729 6
3.8887 8
3.8887 8
4.131 9
4.131 9
4.2993 10
4.2993 10
3.9195 6
3.9195 6
3.9744 7
10 S 4.368 12
4.2031 7
4.2993 9
4.2993 9
4.131 10
4.131 10
4.1955 10
4.1626 7
4.1626 7
4.019 10
4.019 10
4.1489 7
4.1489 7
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 2 0 2.829 5.659 0.032 817.85 2 115.0 692.2
2 0 4 0 5.666 11.331 0.064 202.24 2 114.6 169.9
3 2 0 0 6.451 12.902 0.073 155.48 2 10.0 1.0
4 2 1 0 6.605 13.211 0.075 148.19 4 14.0 3.7
5 2 2 0 7.049 14.098 0.08 129.85 4 16.3 4.4
6 2 3 0 7.733 15.466 0.087 107.52 4 79.1 86.2
7 0 6 0 8.516 17.032 0.096 88.27 2 131.9 98.2
8 2 4 0 8.602 17.203 0.097 86.47 4 29.5 9.6
9 2 5 0 9.607 19.214 0.108 68.89 4 212.2 396.9
10 2 6 0 10.712 21.425 0.121 54.98 4 1.1 0.0
11 1 0 1 11.23 22.459 0.126 49.84 4 107.1 73.2
12 1 1 1 11.321 22.641 0.127 49.01 8 215.6 583.3
13 0 8 0 11.388 22.775 0.128 48.41 2 89.4 24.8
14 1 2 1 11.59 23.179 0.13 46.67 8 138.1 227.9
15 2 7 0 11.893 23.786 0.134 44.21 4 884.4 4425.9
16 1 3 1 12.025 24.05 0.135 43.2 8 295.1 962.7
17 1 4 1 12.611 25.223 0.142 39.09 8 798.5 6379.7
18 4 0 0 12.985 25.971 0.146 36.75 2 677.8 1080.4
19 4 1 0 13.065 26.13 0.147 36.28 4 919.8 3928.6
20 2 8 0 13.131 26.261 0.147 35.9 4 1513.8 10528.8
21 4 2 0 13.301 26.601 0.149 34.94 4 652.4 1903.1
22 1 5 1 13.329 26.659 0.15 34.78 8 881.6 6919.4
23 4 3 0 13.685 27.37 0.154 32.89 4 241.4 245.3
24 1 6 1 14.161 28.322 0.159 30.58 8 275.1 592.4
25 4 4 0 14.207 28.415 0.159 30.37 4 7.7 0.2
26 0 10 0 14.289 28.577 0.16 30.01 2 298.4 171.0
27 2 9 0 14.414 28.827 0.162 29.45 4 912.8 3140.9
28 3 0 1 14.557 29.113 0.163 28.84 4 465.7 800.5
29 3 1 1 14.628 29.256 0.164 28.54 8 3.7 0.1
30 3 2 1 14.841 29.682 0.166 27.67 8 837.6 4969.2
31 4 5 0 14.854 29.708 0.166 27.62 4 154.9 84.9
32 1 7 1 15.09 30.179 0.169 26.7 8 159.0 172.7
33 3 3 1 15.19 30.379 0.17 26.33 8 1244.8 10441.6
34 4 6 0 15.611 31.223 0.175 24.82 4 44.8 6.4
35 3 4 1 15.666 31.332 0.175 24.64 8 976.5 6013.7
36 2 10 0 15.734 31.468 0.176 24.41 4 929.8 2700.6
37 1 8 1 16.101 32.201 0.18 23.22 8 59.4 21.0
38 3 5 1 16.26 32.52 0.182 22.73 8 119.7 83.4
39 4 7 0 16.466 32.931 0.184 22.12 4 0.7 0.0
40 3 6 1 16.961 33.922 0.189 20.74 8 348.0 643.0
41 2 11 0 17.087 34.173 0.191 20.41 4 314.2 258.0
42 1 9 1 17.182 34.364 0.192 20.17 8 174.2 156.7
43 0 12 0 17.228 34.455 0.192 20.05 2 349.7 157.0
44 4 8 0 17.405 34.81 0.194 19.61 4 26.4 1.8
45 3 7 1 17.757 35.515 0.198 18.77 8 29.1 4.1
46 1 10 1 18.324 36.647 0.204 17.52 8 125.2 70.3
47 4 9 0 18.419 36.838 0.205 17.32 4 195.1 84.4
48 2 12 0 18.467 36.934 0.206 17.22 4 178.9 70.6
49 3 8 1 18.64 37.279 0.207 16.87 8 181.1 141.6
50 4 10 0 19.498 38.996 0.217 15.27 4 85.2 14.2
51 1 11 1 19.518 39.037 0.217 15.24 8 469.4 859.6
52 3 9 1 19.598 39.197 0.218 15.1 8 94.4 34.4
53 6 0 0 19.697 39.395 0.219 14.93 2 47.8 2.2
54 5 0 1 19.703 39.405 0.219 14.92 4 7.7 0.1
55 6 1 0 19.752 39.505 0.219 14.84 4 60.2 6.9
56 5 1 1 19.757 39.515 0.219 14.83 8 172.2 112.6
57 2 13 0 19.874 39.748 0.221 14.64 4 122.2 28.0
58 6 2 0 19.916 39.833 0.221 14.57 4 0.4 0.0
59 5 2 1 19.921 39.843 0.221 14.56 8 2.4 0.0
60 6 3 0 20.187 40.375 0.224 14.14 4 85.7 13.3
61 5 3 1 20.192 40.385 0.224 14.13 8 243.8 215.0
62 0 14 0 20.214 40.428 0.224 14.1 2 505.3 230.4
63 6 4 0 20.562 41.123 0.228 13.57 4 145.4 36.7
64 5 4 1 20.566 41.133 0.228 13.56 8 40.5 5.7
65 3 10 1 20.625 41.25 0.229 13.48 8 28.8 2.9
66 4 11 0 20.635 41.27 0.229 13.46 4 226.1 88.1
67 1 12 1 20.76 41.52 0.23 13.28 8 1241.8 5243.1
68 6 5 0 21.035 42.069 0.233 12.9 4 453.2 339.1
69 5 5 1 21.04 42.079 0.233 12.89 8 673.6 1497.3
70 2 14 0 21.305 42.61 0.236 12.53 4 66.8 7.2
71 6 6 0 21.602 43.203 0.239 12.15 4 1286.7 2575.0
72 5 6 1 21.606 43.212 0.239 12.15 8 1198.6 4466.5
73 3 11 1 21.713 43.427 0.24 12.01 8 278.0 237.7
74 4 12 0 21.824 43.648 0.241 11.88 4 273.5 113.7
75 0 0 2 21.896 43.792 0.242 11.79 2 2345.7 4150.4
76 1 13 1 22.044 44.089 0.244 11.61 8 925.2 2544.1
77 0 2 2 22.097 44.194 0.244 11.55 4 94.7 13.3
78 6 7 0 22.256 44.513 0.246 11.36 4 1029.8 1542.1
79 5 7 1 22.261 44.522 0.246 11.36 8 930.1 2515.0
80 0 4 2 22.692 45.383 0.25 10.88 4 93.4 12.1
81 2 15 0 22.761 45.521 0.251 10.8 4 51.8 3.7
82 3 12 1 22.857 45.715 0.252 10.7 8 125.1 42.8
83 2 0 2 22.922 45.845 0.253 10.63 4 6.0 0.0
84 2 1 2 22.971 45.942 0.253 10.58 8 10.7 0.3
85 6 8 0 22.994 45.987 0.254 10.56 4 32.0 1.4
86 5 8 1 22.998 45.996 0.254 10.55 8 66.6 12.0
87 4 13 0 23.061 46.121 0.254 10.49 4 247.5 82.2
88 2 2 2 23.116 46.233 0.255 10.43 8 13.6 0.5
89 0 16 0 23.259 46.518 0.256 10.29 2 1410.1 1308.7
90 2 3 2 23.357 46.714 0.257 10.19 8 65.0 11.0
91 1 14 1 23.368 46.735 0.257 10.18 8 120.7 38.0
92 0 6 2 23.656 47.313 0.26 9.9 4 104.4 13.8
93 2 4 2 23.691 47.381 0.261 9.87 8 20.1 1.0
94 6 9 0 23.807 47.615 0.262 9.76 4 455.4 258.9
95 5 9 1 23.812 47.624 0.262 9.75 8 330.2 272.1
96 3 13 1 24.052 48.104 0.265 9.53 8 871.4 1852.6
97 2 5 2 24.115 48.229 0.265 9.48 8 178.2 77.0
98 2 16 0 24.24 48.48 0.267 9.37 4 219.1 57.6
99 4 14 0 24.341 48.682 0.268 9.28 4 469.0 261.2
100 2 6 2 24.625 49.251 0.27 9.04 8 2.2 0.0
101 6 10 0 24.693 49.386 0.271 8.98 4 624.4 448.0
102 5 10 1 24.697 49.394 0.271 8.98 8 586.9 791.4
103 1 15 1 24.728 49.455 0.272 8.95 8 1.6 0.0
104 0 8 2 24.959 49.918 0.274 8.76 4 76.1 6.5
105 2 7 2 25.219 50.438 0.277 8.56 8 752.2 1239.4
106 3 14 1 25.294 50.589 0.277 8.5 8 738.7 1187.3
107 6 11 0 25.645 51.29 0.281 8.24 4 625.0 411.8
108 5 11 1 25.649 51.298 0.281 8.24 8 731.4 1127.5
109 4 15 0 25.662 51.324 0.281 8.23 4 1192.2 1496.4
110 2 17 0 25.744 51.488 0.282 8.17 4 303.4 96.2
111 7 0 1 25.798 51.596 0.282 8.13 4 456.4 216.7
112 4 0 2 25.81 51.62 0.283 8.12 4 582.4 352.5
113 7 1 1 25.842 51.685 0.283 8.1 8 766.8 1218.4
114 4 1 2 25.855 51.709 0.283 8.09 8 800.7 1327.1
115 2 8 2 25.892 51.783 0.283 8.06 8 1294.0 3454.7
116 7 2 1 25.976 51.951 0.284 8.0 8 586.6 704.8
117 4 2 2 25.988 51.976 0.284 7.99 8 567.9 659.7
118 1 16 1 26.123 52.246 0.286 7.9 8 37.7 2.9
119 7 3 1 26.197 52.393 0.287 7.85 8 383.2 295.0
120 4 3 2 26.209 52.417 0.287 7.84 8 209.9 88.4
121 0 18 0 26.375 52.751 0.288 7.73 2 659.3 215.0
122 7 4 1 26.504 53.007 0.29 7.64 8 76.7 11.5
123 4 4 2 26.516 53.031 0.29 7.63 8 2.6 0.0
124 0 10 2 26.564 53.128 0.29 7.6 4 253.1 62.4
125 3 15 1 26.581 53.162 0.29 7.59 8 149.2 43.2
126 2 9 2 26.639 53.278 0.291 7.55 8 745.1 1073.6
127 6 12 0 26.659 53.319 0.291 7.54 4 352.6 120.0
128 5 12 1 26.663 53.327 0.291 7.54 8 425.6 349.5
129 8 0 0 26.706 53.411 0.292 7.51 2 449.6 97.2
130 8 1 0 26.749 53.498 0.292 7.48 4 85.1 6.9
131 8 2 0 26.879 53.758 0.293 7.4 4 845.2 676.8
132 7 5 1 26.895 53.79 0.294 7.39 8 161.0 49.0
133 4 5 2 26.907 53.814 0.294 7.38 8 133.2 33.5
134 4 16 0 27.023 54.045 0.295 7.31 4 805.2 606.7
135 8 3 0 27.095 54.19 0.296 7.27 4 1040.6 1007.3
136 2 18 0 27.273 54.547 0.297 7.16 4 292.8 78.6
137 7 6 1 27.368 54.736 0.298 7.1 8 153.8 43.0
138 4 6 2 27.38 54.759 0.299 7.1 8 34.6 2.2
139 8 4 0 27.395 54.79 0.299 7.09 4 631.0 361.2
140 2 10 2 27.458 54.916 0.299 7.05 8 778.7 1094.6
141 1 17 1 27.552 55.105 0.3 7.0 8 83.0 12.3
142 6 13 0 27.733 55.465 0.302 6.89 4 77.4 5.3
143 5 13 1 27.737 55.473 0.302 6.89 8 191.4 64.6
144 8 5 0 27.778 55.555 0.303 6.87 4 48.6 2.1
145 3 16 1 27.91 55.821 0.304 6.79 8 45.5 3.6
146 7 7 1 27.92 55.84 0.304 6.79 8 95.0 15.7
147 4 7 2 27.931 55.863 0.304 6.78 8 2.0 0.0
148 8 6 0 28.241 56.481 0.307 6.62 4 152.7 19.8
149 2 11 2 28.344 56.688 0.308 6.56 8 270.8 123.2
150 4 17 0 28.421 56.843 0.309 6.52 4 105.7 9.3
151 0 12 2 28.439 56.878 0.309 6.51 4 297.8 73.9
152 7 8 1 28.548 57.096 0.31 6.46 8 105.8 18.5
153 4 8 2 28.559 57.119 0.31 6.45 8 21.4 0.8
154 8 7 0 28.781 57.563 0.313 6.34 4 26.7 0.6
155 2 19 0 28.829 57.659 0.313 6.31 4 328.2 87.0
156 6 14 0 28.862 57.723 0.313 6.3 4 12.0 0.1
157 5 14 1 28.865 57.731 0.313 6.3 8 21.1 0.7
158 1 18 1 29.016 58.033 0.315 6.22 8 111.3 19.7
159 7 9 1 29.249 58.498 0.317 6.11 8 84.8 11.3
160 4 9 2 29.26 58.521 0.317 6.11 8 167.7 44.0
161 3 17 1 29.281 58.561 0.317 6.1 8 205.8 66.1
162 2 12 2 29.294 58.589 0.318 6.09 8 153.5 36.8
163 8 8 0 29.397 58.795 0.319 6.04 4 39.5 1.2
164 0 20 0 29.578 59.156 0.32 5.96 2 54.0 1.1
165 4 18 0 29.858 59.715 0.323 5.84 4 829.5 513.9
166 7 10 1 30.021 60.041 0.325 5.76 8 98.6 14.3
167 4 10 2 30.032 60.063 0.325 5.76 8 73.5 8.0
168 6 15 0 30.044 60.087 0.325 5.75 4 63.1 2.9
169 5 15 1 30.047 60.095 0.325 5.75 8 173.9 44.6
170 8 9 0 30.086 60.172 0.325 5.74 4 38.7 1.1
171 6 0 2 30.177 60.354 0.326 5.7 4 41.7 1.3
172 6 1 2 30.217 60.434 0.327 5.68 8 50.1 3.7
173 2 13 2 30.306 60.612 0.328 5.64 8 107.3 16.6
174 6 2 2 30.337 60.675 0.328 5.63 8 0.7 0.0
175 2 20 0 30.413 60.827 0.329 5.6 4 92.3 6.1
176 1 19 1 30.515 61.029 0.33 5.56 8 325.5 150.7
177 6 3 2 30.537 61.074 0.33 5.55 8 76.2 8.3
178 0 14 2 30.557 61.114 0.33 5.54 4 441.8 138.4
179 3 18 1 30.692 61.384 0.331 5.49 8 25.4 0.9
180 6 4 2 30.815 61.631 0.333 5.44 8 126.8 22.4
181 8 10 0 30.845 61.69 0.333 5.43 4 31.4 0.7
182 7 11 1 30.86 61.719 0.333 5.42 8 119.6 19.9
183 4 11 2 30.87 61.741 0.333 5.42 8 198.0 54.3
184 6 5 2 31.171 62.343 0.336 5.3 8 396.8 213.6
185 6 16 0 31.277 62.554 0.337 5.26 4 243.7 40.0
186 5 16 1 31.281 62.561 0.337 5.26 8 205.4 56.8
187 4 19 0 31.331 62.663 0.338 5.24 4 911.5 557.6
188 2 14 2 31.377 62.753 0.338 5.23 8 58.2 4.5
189 6 6 2 31.603 63.206 0.34 5.14 8 1123.9 1663.3
190 8 11 0 31.671 63.342 0.341 5.12 4 255.2 42.7
191 7 12 1 31.764 63.527 0.342 5.09 8 273.5 97.4
192 4 12 2 31.774 63.549 0.342 5.08 8 240.8 75.4
193 2 21 0 32.028 64.055 0.344 5.0 4 390.7 97.6
194 1 20 1 32.049 64.097 0.344 4.99 8 530.4 359.3
195 6 7 2 32.109 64.218 0.345 4.97 8 902.2 1035.4
196 3 19 1 32.143 64.287 0.345 4.96 8 691.7 607.1
197 2 15 2 32.504 65.008 0.349 4.84 8 47.1 2.8
198 6 17 0 32.56 65.12 0.349 4.82 4 114.6 8.1
199 8 12 0 32.562 65.125 0.349 4.82 4 87.9 4.8
200 5 17 1 32.564 65.127 0.349 4.82 8 4.5 0.0
201 9 0 1 32.607 65.213 0.35 4.81 4 175.9 19.0
202 9 1 1 32.645 65.29 0.35 4.79 8 10.1 0.1
203 6 8 2 32.688 65.375 0.351 4.78 8 25.9 0.8
204 7 13 1 32.73 65.461 0.351 4.77 8 123.6 18.6
205 4 13 2 32.741 65.482 0.351 4.76 8 220.0 59.1
206 9 2 1 32.76 65.521 0.351 4.76 8 132.5 21.4
207 4 20 0 32.844 65.687 0.352 4.73 4 293.7 52.3
208 0 22 0 32.886 65.772 0.352 4.72 2 164.6 8.2
209 0 16 2 32.898 65.797 0.353 4.72 4 1248.9 941.3
210 9 3 1 32.952 65.903 0.353 4.7 8 111.4 14.9
211 9 4 1 33.219 66.438 0.356 4.62 8 44.3 2.3
212 6 9 2 33.337 66.674 0.357 4.58 8 402.3 189.9
213 8 13 0 33.517 67.034 0.358 4.53 4 763.8 338.4
214 9 5 1 33.561 67.121 0.359 4.52 8 142.0 23.3
215 1 21 1 33.619 67.238 0.359 4.5 8 938.4 1015.3
216 3 20 1 33.636 67.272 0.36 4.5 8 794.0 726.1
217 2 22 0 33.675 67.349 0.36 4.49 4 162.9 15.2
218 2 16 2 33.686 67.373 0.36 4.48 8 194.1 43.3
219 7 14 1 33.758 67.516 0.361 4.46 8 544.6 339.0
220 4 14 2 33.768 67.537 0.361 4.46 8 416.4 198.0
221 6 18 0 33.893 67.786 0.362 4.43 4 349.6 69.3
222 5 18 1 33.896 67.793 0.362 4.43 8 352.7 141.0
223 9 6 1 33.976 67.952 0.363 4.41 8 125.1 17.6
224 6 10 2 34.055 68.111 0.363 4.38 8 556.7 347.8
225 10 0 0 34.177 68.355 0.365 4.35 2 118.6 3.9
226 1 0 3 34.208 68.417 0.365 4.34 4 83.1 3.8
227 10 1 0 34.215 68.43 0.365 4.34 4 129.5 9.3
228 1 1 3 34.246 68.492 0.365 4.33 8 161.5 28.9
229 10 2 0 34.327 68.655 0.366 4.31 4 69.5 2.7
230 1 2 3 34.358 68.717 0.366 4.3 8 108.8 13.0
231 4 21 0 34.396 68.791 0.367 4.29 4 51.0 1.4
232 9 7 1 34.464 68.928 0.367 4.28 8 746.1 609.5
233 10 3 0 34.514 69.029 0.368 4.26 4 82.4 3.7
234 8 14 0 34.533 69.066 0.368 4.26 4 804.4 352.8
235 1 3 3 34.545 69.091 0.368 4.26 8 222.2 53.8
236 10 4 0 34.776 69.551 0.37 4.2 4 568.2 173.5
237 1 4 3 34.806 69.613 0.371 4.19 8 616.1 407.3
238 6 11 2 34.841 69.682 0.371 4.18 8 559.4 335.1
239 7 15 1 34.845 69.69 0.371 4.18 8 1010.1 1092.3
240 4 15 2 34.855 69.711 0.371 4.18 8 1061.2 1204.8
241 2 17 2 34.923 69.847 0.372 4.16 8 270.6 78.0
242 9 8 1 35.023 70.046 0.373 4.14 8 998.8 1057.0
243 10 5 0 35.11 70.22 0.373 4.12 4 786.8 326.3
244 1 5 3 35.141 70.282 0.374 4.11 8 685.9 495.2
245 3 21 1 35.171 70.342 0.374 4.1 8 104.0 11.4
246 1 22 1 35.229 70.457 0.374 4.09 8 513.5 276.1
247 6 19 0 35.275 70.549 0.375 4.08 4 51.1 1.4
248 5 19 1 35.278 70.556 0.375 4.08 8 72.2 5.4
249 2 23 0 35.357 70.713 0.376 4.06 4 547.9 156.0
250 0 18 2 35.452 70.905 0.377 4.04 4 592.3 181.4
251 10 6 0 35.517 71.034 0.377 4.02 4 284.3 41.6
252 1 6 3 35.548 71.095 0.377 4.02 8 219.7 49.6
253 8 15 0 35.609 71.218 0.378 4.0 4 127.4 8.3
254 9 9 1 35.652 71.303 0.378 3.99 8 673.5 463.8
255 6 12 2 35.692 71.385 0.379 3.99 8 316.2 102.0
256 8 0 2 35.731 71.463 0.379 3.98 4 401.7 82.1
257 3 0 3 35.748 71.496 0.379 3.97 4 350.2 62.4
258 8 1 2 35.768 71.536 0.379 3.97 8 76.1 5.9
259 3 1 3 35.785 71.57 0.38 3.97 8 1.8 0.0
260 8 2 2 35.878 71.757 0.38 3.95 8 755.0 575.6
261 3 2 3 35.895 71.791 0.381 3.94 8 626.4 395.9
262 4 22 0 35.989 71.978 0.381 3.92 4 59.7 1.8
263 7 16 1 35.991 71.981 0.381 3.92 8 568.0 323.8
264 10 7 0 35.996 71.991 0.381 3.92 4 149.3 11.2
265 4 16 2 36.001 72.001 0.382 3.92 8 718.8 518.3
266 1 7 3 36.026 72.052 0.382 3.91 8 125.5 15.8
267 8 3 2 36.062 72.124 0.382 3.91 8 929.6 864.0
268 3 3 3 36.079 72.158 0.382 3.9 8 933.2 870.0
269 2 18 2 36.214 72.429 0.384 3.87 8 261.8 68.0
270 8 4 2 36.318 72.637 0.384 3.85 8 564.6 314.4
271 0 24 0 36.323 72.646 0.384 3.85 2 465.9 53.5
272 3 4 3 36.335 72.67 0.385 3.85 8 735.7 533.4
273 9 10 1 36.349 72.698 0.385 3.85 8 798.9 628.5
274 10 8 0 36.544 73.089 0.387 3.81 4 71.6 2.5
275 1 8 3 36.574 73.149 0.387 3.8 8 50.7 2.5
276 6 13 2 36.608 73.217 0.387 3.8 8 69.7 4.7
277 8 5 2 36.647 73.294 0.387 3.79 8 43.5 1.8
278 3 5 3 36.664 73.327 0.388 3.78 8 89.1 7.7
279 6 20 0 36.706 73.412 0.388 3.78 4 458.4 101.6
280 5 20 1 36.709 73.419 0.388 3.78 8 378.9 138.8
281 8 16 0 36.745 73.489 0.388 3.77 4 72.2 2.5
282 3 22 1 36.75 73.5 0.388 3.77 8 58.1 3.3
283 1 23 1 36.879 73.758 0.39 3.74 8 401.2 154.2
284 8 6 2 37.047 74.094 0.391 3.71 8 137.3 17.9
285 3 6 3 37.064 74.127 0.391 3.71 8 264.5 66.4
286 2 24 0 37.077 74.155 0.391 3.71 4 809.9 311.1
287 9 11 1 37.113 74.227 0.392 3.7 8 332.4 104.6
288 10 9 0 37.162 74.325 0.392 3.69 4 237.0 26.5
289 1 9 3 37.192 74.385 0.392 3.68 8 136.6 17.6
290 7 17 1 37.194 74.388 0.392 3.68 8 34.9 1.2
291 4 17 2 37.204 74.408 0.392 3.68 8 95.2 8.5
292 8 7 2 37.518 75.035 0.395 3.63 8 24.4 0.6
293 3 7 3 37.534 75.068 0.395 3.62 8 23.4 0.5
294 2 19 2 37.559 75.119 0.396 3.62 8 295.0 80.6
295 6 14 2 37.588 75.175 0.396 3.61 8 10.4 0.1
296 4 23 0 37.626 75.253 0.396 3.61 4 302.4 42.2
297 10 10 0 37.849 75.698 0.398 3.57 4 62.3 1.8
298 1 10 3 37.879 75.757 0.399 3.56 8 94.6 8.2
299 8 17 0 37.939 75.878 0.399 3.55 4 142.8 9.3
300 9 12 1 37.944 75.888 0.399 3.55 8 270.9 66.7
301 8 8 2 38.058 76.116 0.4 3.53 8 35.6 1.1
302 3 8 3 38.075 76.149 0.4 3.53 8 138.8 17.4
303 6 21 0 38.188 76.377 0.401 3.51 4 118.6 6.3
304 5 21 1 38.192 76.383 0.401 3.51 8 257.4 59.6
305 0 20 2 38.218 76.435 0.402 3.51 4 49.3 1.1
306 3 23 1 38.375 76.75 0.403 3.48 8 200.6 35.9
307 7 18 1 38.455 76.91 0.404 3.47 8 764.6 519.5
308 4 18 2 38.465 76.929 0.404 3.47 8 747.7 496.5
309 1 24 1 38.574 77.148 0.405 3.45 8 250.3 55.4
310 10 11 0 38.603 77.206 0.405 3.45 4 468.0 96.7
311 6 15 2 38.63 77.26 0.405 3.44 8 57.2 2.9
312 1 11 3 38.632 77.265 0.405 3.44 8 366.8 118.6
313 8 9 2 38.668 77.335 0.406 3.44 8 35.2 1.1
314 3 9 3 38.684 77.368 0.406 3.44 8 73.3 4.7
315 5 0 3 38.752 77.503 0.406 3.43 4 8.5 0.0
316 5 1 3 38.787 77.575 0.407 3.42 8 135.7 16.1
317 9 13 1 38.841 77.681 0.407 3.41 8 27.2 0.6
318 2 25 0 38.841 77.682 0.407 3.41 4 193.2 16.3
319 5 2 3 38.895 77.789 0.408 3.4 8 3.0 0.0
320 2 20 2 38.959 77.919 0.408 3.4 8 83.3 6.0
321 5 3 3 39.073 78.146 0.409 3.38 8 191.3 31.7
322 8 18 0 39.192 78.384 0.41 3.36 4 181.6 14.2
323 4 24 0 39.31 78.621 0.411 3.35 4 12.0 0.1
324 5 4 3 39.322 78.645 0.411 3.34 8 31.5 0.9
325 8 10 2 39.346 78.691 0.412 3.34 8 28.2 0.7
326 3 10 3 39.362 78.724 0.412 3.34 8 22.9 0.4
327 10 12 0 39.423 78.847 0.412 3.33 4 883.6 332.7
328 1 12 3 39.453 78.906 0.412 3.33 8 978.7 815.5
329 5 5 3 39.642 79.285 0.414 3.3 8 531.6 238.8
330 6 22 0 39.723 79.447 0.415 3.29 4 611.1 157.3
331 5 22 1 39.727 79.453 0.415 3.29 8 627.7 331.8
332 6 16 2 39.735 79.469 0.415 3.29 8 220.6 41.0
333 7 19 1 39.774 79.548 0.415 3.28 8 926.4 721.4
334 4 19 2 39.784 79.567 0.415 3.28 8 826.1 573.3
335 9 14 1 39.802 79.603 0.416 3.28 8 141.5 16.8
336 0 26 0 39.918 79.837 0.417 3.27 2 439.7 40.4
337 5 6 3 40.033 80.065 0.418 3.25 8 949.3 749.8
338 3 24 1 40.05 80.099 0.418 3.25 8 175.9 25.7
339 8 11 2 40.091 80.182 0.418 3.24 8 231.3 44.4
340 3 11 3 40.107 80.215 0.418 3.24 8 222.0 40.9
341 11 0 1 40.2 80.399 0.419 3.23 4 1793.2 1329.3
342 11 1 1 40.235 80.47 0.419 3.23 8 183.5 27.8
343 10 13 0 40.31 80.62 0.42 3.22 4 640.6 168.9
344 1 25 1 40.317 80.634 0.42 3.22 8 129.5 13.8
345 1 13 3 40.339 80.679 0.42 3.21 8 733.8 442.9
346 11 2 1 40.341 80.682 0.42 3.21 8 106.7 9.4
347 2 21 2 40.415 80.831 0.421 3.2 8 354.5 103.1
348 5 7 3 40.493 80.985 0.422 3.2 8 739.2 446.9
349 8 19 0 40.505 81.009 0.422 3.19 4 570.3 133.0
350 11 3 1 40.518 81.036 0.422 3.19 8 54.1 2.4
351 2 26 0 40.651 81.303 0.423 3.18 4 1027.3 429.1
352 11 4 1 40.765 81.53 0.424 3.16 8 87.2 6.2
353 9 15 1 40.828 81.655 0.424 3.16 8 119.8 11.6
354 6 17 2 40.902 81.804 0.425 3.15 8 103.8 8.7
355 8 12 2 40.904 81.808 0.425 3.15 8 79.9 5.2
356 3 12 3 40.92 81.84 0.425 3.15 8 99.8 8.0
357 5 8 3 41.022 82.044 0.426 3.14 8 54.6 2.4
358 4 25 0 41.045 82.091 0.426 3.13 4 534.0 114.3
359 11 5 1 41.082 82.165 0.427 3.13 8 66.3 3.5
360 7 20 1 41.152 82.305 0.427 3.12 8 267.1 57.0
361 4 20 2 41.162 82.324 0.427 3.12 8 267.3 57.1
362 0 22 2 41.201 82.402 0.428 3.12 4 149.9 9.0
363 10 14 0 41.263 82.526 0.428 3.11 4 103.2 4.2
364 1 14 3 41.292 82.584 0.428 3.11 8 95.2 7.2
365 6 23 0 41.313 82.627 0.429 3.11 4 644.1 164.9
366 5 23 1 41.317 82.633 0.429 3.1 8 520.2 215.0
367 11 6 1 41.469 82.939 0.43 3.09 8 108.8 9.4
368 5 9 3 41.62 83.241 0.431 3.07 8 265.5 55.5
369 3 25 1 41.778 83.555 0.432 3.06 8 152.3 18.2
370 8 13 2 41.784 83.567 0.433 3.06 8 694.4 377.5
371 3 13 3 41.8 83.6 0.433 3.06 8 703.3 387.0
372 8 20 0 41.878 83.756 0.433 3.05 4 627.3 153.6
373 9 16 1 41.918 83.837 0.434 3.05 8 78.1 4.8
374 11 7 1 41.926 83.852 0.434 3.05 8 127.6 12.7
375 2 22 2 41.93 83.859 0.434 3.04 8 148.0 17.1
376 1 26 1 42.113 84.226 0.435 3.03 8 372.2 107.4
377 6 18 2 42.133 84.265 0.435 3.03 8 318.5 78.6
378 10 15 0 42.281 84.563 0.437 3.01 4 25.9 0.3
379 5 10 3 42.287 84.574 0.437 3.01 8 475.1 174.0
380 1 15 3 42.31 84.621 0.437 3.01 8 1.7 0.0
381 12 0 0 42.385 84.77 0.438 3.0 2 188.1 6.8
382 10 0 2 42.398 84.795 0.438 3.0 4 109.1 4.6
383 12 1 0 42.42 84.84 0.438 3.0 4 228.3 20.0
384 10 1 2 42.433 84.866 0.438 3.0 8 118.2 10.7
385 11 8 1 42.452 84.905 0.438 3.0 8 22.3 0.4
386 2 27 0 42.515 85.029 0.439 2.99 4 204.0 15.9
387 12 2 0 42.525 85.05 0.439 2.99 4 77.9 2.3
388 10 2 2 42.538 85.076 0.439 2.99 8 63.2 3.1
389 7 21 1 42.592 85.184 0.439 2.99 8 105.0 8.4
390 4 21 2 42.602 85.204 0.439 2.99 8 47.0 1.7
391 12 3 0 42.7 85.4 0.44 2.98 4 349.0 46.4
392 10 3 2 42.713 85.426 0.44 2.98 8 74.8 4.3
393 8 14 2 42.73 85.461 0.44 2.98 8 732.6 408.8
394 3 14 3 42.746 85.493 0.441 2.97 8 600.6 274.6
395 4 26 0 42.836 85.672 0.441 2.97 4 142.3 7.7
396 12 4 0 42.945 85.89 0.442 2.96 4 570.0 123.0
397 10 4 2 42.958 85.916 0.442 2.96 8 517.8 203.0
398 6 24 0 42.962 85.924 0.442 2.96 4 144.6 7.9
399 5 24 1 42.965 85.931 0.442 2.96 8 140.0 14.8
400 5 11 3 43.023 86.045 0.443 2.95 8 595.7 268.1
401 11 9 1 43.047 86.095 0.443 2.95 8 179.1 24.2
402 9 17 1 43.074 86.149 0.443 2.95 8 275.8 57.4
403 7 0 3 43.139 86.278 0.444 2.94 4 371.3 51.9
404 7 1 3 43.174 86.348 0.444 2.94 8 624.9 294.0
405 12 5 0 43.26 86.52 0.445 2.93 4 538.5 108.9
406 10 5 2 43.273 86.546 0.445 2.93 8 716.7 385.7
407 7 2 3 43.279 86.558 0.445 2.93 8 477.7 171.3
408 8 21 0 43.314 86.628 0.445 2.93 4 128.2 6.2
409 10 16 0 43.367 86.733 0.446 2.93 4 75.3 2.1
410 1 16 3 43.395 86.791 0.446 2.92 8 31.0 0.7
411 6 19 2 43.428 86.856 0.446 2.92 8 47.1 1.7
412 7 3 3 43.454 86.908 0.446 2.92 8 312.5 73.0
413 2 23 2 43.505 87.011 0.447 2.92 8 500.6 187.1
414 3 26 1 43.564 87.127 0.447 2.91 8 102.9 7.9
415 12 6 0 43.644 87.289 0.448 2.91 4 189.4 13.3
416 10 6 2 43.657 87.314 0.448 2.91 8 258.6 49.7
417 7 4 3 43.699 87.397 0.448 2.9 8 62.8 2.9
418 11 10 1 43.712 87.423 0.449 2.9 8 157.9 18.5
419 0 28 0 43.714 87.427 0.449 2.9 2 156.9 4.6
420 8 15 2 43.744 87.489 0.449 2.9 8 114.6 9.7
421 3 15 3 43.76 87.521 0.449 2.9 8 122.0 11.0
422 5 12 3 43.827 87.653 0.449 2.9 8 347.8 89.7
423 1 27 1 43.967 87.935 0.451 2.89 8 34.9 0.9
424 7 5 3 44.013 88.026 0.451 2.88 8 132.2 12.9
425 7 22 1 44.096 88.191 0.452 2.88 8 155.0 17.7
426 12 7 0 44.098 88.197 0.452 2.88 4 76.8 2.2
427 4 22 2 44.105 88.21 0.452 2.88 8 54.4 2.2
428 10 7 2 44.111 88.223 0.452 2.88 8 136.1 13.6
429 9 18 1 44.297 88.595 0.453 2.87 8 117.9 10.2
430 7 6 3 44.397 88.794 0.454 2.86 8 125.9 11.6
431 0 24 2 44.423 88.846 0.454 2.86 4 426.1 66.5
432 2 28 0 44.437 88.875 0.454 2.86 4 5.7 0.0
433 11 11 1 44.445 88.89 0.455 2.86 8 132.7 12.9
434 10 17 0 44.519 89.038 0.455 2.85 4 127.3 5.9
435 1 17 3 44.548 89.096 0.455 2.85 8 67.9 3.4
436 12 8 0 44.622 89.244 0.456 2.85 4 77.8 2.2
437 10 8 2 44.635 89.27 0.456 2.85 8 65.4 3.1
438 6 25 0 44.674 89.348 0.456 2.85 4 104.6 4.0
439 5 25 1 44.677 89.355 0.456 2.85 8 235.0 40.2
440 4 27 0 44.688 89.375 0.456 2.84 4 330.1 39.7
441 5 13 3 44.699 89.399 0.457 2.84 8 157.6 18.1
442 6 20 2 44.79 89.58 0.457 2.84 8 419.9 128.1
443 8 22 0 44.816 89.631 0.458 2.84 4 122.8 5.5
444 8 16 2 44.827 89.654 0.458 2.84 8 66.5 3.2
445 3 16 3 44.843 89.686 0.458 2.84 8 38.0 1.0
446 7 7 3 44.851 89.701 0.458 2.84 8 77.9 4.4
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 2 0 2.829 5.659 15.605 692.2 6.6 6.7 5.5
2 0 4 0 5.666 11.331 7.8025 169.9 1.6 1.6 5.6
3 2 5 0 9.607 19.214 4.6156 396.9 3.8 3.8 5.6
4 1 1 1 11.321 22.641 3.92401 583.3 5.5 5.6 5.6
5 1 2 1 11.59 23.179 3.83415 227.9 2.2 2.2 5.6
6 2 7 0 11.893 23.786 3.73772 4425.9 42.0 42.1 5.6
7 1 3 1 12.025 24.05 3.69719 962.7 9.1 9.2 5.6
8 1 4 1 12.611 25.223 3.52797 6379.7 60.6 60.6 5.6
9 4 0 0 12.985 25.971 3.428 1080.4 10.3 10.3 5.6
10 4 1 0 13.065 26.13 3.40751 3928.6 37.3 37.3 5.6
11 2 8 0 13.131 26.261 3.39074 10528.8 100.0 100.0 5.6
12 4 2 0 13.301 26.601 3.34817 1903.1 18.1 18.1 5.6
13 1 5 1 13.329 26.659 3.34108 6919.4 65.7 65.7 5.6
14 4 3 0 13.685 27.37 3.2558 245.3 2.3 2.3 5.6
15 1 6 1 14.161 28.322 3.14852 592.4 5.6 5.6 5.6
16 0 10 0 14.289 28.577 3.121 171.0 1.6 1.6 5.6
17 2 9 0 14.414 28.827 3.09446 3140.9 29.8 29.8 5.6
18 3 0 1 14.557 29.113 3.06474 800.5 7.6 7.6 5.6
19 3 2 1 14.841 29.682 3.00729 5054.0 48.0 47.9 5.6
20 1 7 1 15.09 30.179 2.95886 172.7 1.6 1.6 5.6
21 3 3 1 15.19 30.379 2.93983 10441.6 99.2 98.8 5.6
22 3 4 1 15.666 31.332 2.85258 6013.7 57.1 56.9 5.6
23 2 10 0 15.734 31.468 2.84053 2700.6 25.6 25.5 5.6
24 3 6 1 16.961 33.922 2.64051 643.0 6.1 6.1 5.7
25 2 11 0 17.087 34.173 2.62165 258.0 2.5 2.4 5.7
26 1 9 1 17.182 34.364 2.60754 156.7 1.5 1.5 5.7
27 0 12 0 17.228 34.455 2.60083 157.0 1.5 1.5 5.7
28 3 8 1 18.64 37.279 2.41002 141.6 1.3 1.3 5.7
29 1 11 1 19.518 39.037 2.30547 873.8 8.3 8.2 5.7
30 5 1 1 19.757 39.515 2.27867 119.5 1.1 1.1 5.7
31 0 14 0 20.214 40.428 2.22929 458.7 4.4 4.3 5.7
32 1 12 1 20.76 41.52 2.17313 5243.1 49.8 49.1 5.7
33 5 5 1 21.04 42.079 2.14556 1836.4 17.4 17.2 5.7
34 5 6 1 21.606 43.212 2.09187 7041.4 66.9 65.9 5.7
35 3 11 1 21.713 43.427 2.08203 237.7 2.3 2.2 5.7
36 4 12 0 21.824 43.648 2.07198 113.7 1.1 1.1 5.7
37 0 0 2 21.896 43.792 2.0655 4150.4 39.4 38.8 5.7
38 1 13 1 22.044 44.089 2.05231 2544.1 24.2 23.8 5.7
39 5 7 1 22.261 44.522 2.03334 4057.2 38.5 37.9 5.7
40 0 16 0 23.259 46.518 1.95062 1308.7 12.4 12.2 5.7
41 5 9 1 23.812 47.624 1.90789 531.0 5.0 4.9 5.7
42 3 13 1 24.052 48.104 1.88994 1852.6 17.6 17.2 5.7
43 4 14 0 24.341 48.682 1.86886 261.2 2.5 2.4 5.7
44 5 10 1 24.697 49.394 1.84357 1239.4 11.8 11.5 5.7
45 2 7 2 25.219 50.438 1.80783 1239.4 11.8 11.5 5.8
46 3 14 1 25.294 50.589 1.8028 1187.3 11.3 11.0 5.8
47 4 15 0 25.662 51.324 1.77867 3035.7 28.8 28.1 5.8
48 4 0 2 25.81 51.62 1.76917 569.2 5.4 5.3 5.8
49 4 1 2 25.855 51.709 1.76633 2545.5 24.2 23.6 5.8
50 2 8 2 25.892 51.783 1.76398 3454.7 32.8 32.0 5.8
51 7 2 1 25.976 51.951 1.75867 1364.5 13.0 12.6 5.8
52 7 3 1 26.197 52.393 1.74488 383.4 3.6 3.5 5.8
53 0 18 0 26.375 52.751 1.73389 215.0 2.0 2.0 5.8
54 0 10 2 26.564 53.128 1.72245 105.6 1.0 1.0 5.8
55 2 9 2 26.639 53.278 1.71795 1543.1 14.7 14.3 5.8
56 8 2 0 26.879 53.758 1.70375 759.3 7.2 7.0 5.8
57 4 16 0 27.023 54.045 1.69537 606.7 5.8 5.6 5.8
58 8 3 0 27.095 54.19 1.6912 1007.3 9.6 9.3 5.8
59 8 4 0 27.395 54.79 1.67408 406.4 3.9 3.7 5.8
60 2 10 2 27.458 54.916 1.67054 1094.6 10.4 10.1 5.8
61 2 11 2 28.344 56.688 1.62244 123.2 1.2 1.1 5.8
62 3 17 1 29.281 58.561 1.57493 158.1 1.5 1.5 5.8
63 4 18 0 29.858 59.715 1.54723 513.9 4.9 4.7 5.8
64 1 19 1 30.515 61.029 1.51702 159.0 1.5 1.5 5.8
65 0 14 2 30.557 61.114 1.51513 138.4 1.3 1.3 5.8
66 6 5 2 31.171 62.343 1.48818 213.6 2.0 1.9 5.8
67 4 19 0 31.331 62.663 1.48134 557.6 5.3 5.1 5.8
68 6 6 2 31.603 63.206 1.46991 1663.3 15.8 15.2 5.9
69 7 12 1 31.764 63.527 1.46326 172.9 1.6 1.6 5.9
70 1 20 1 32.049 64.097 1.45161 456.9 4.3 4.2 5.9
71 6 7 2 32.109 64.218 1.44917 1035.4 9.8 9.4 5.9
72 3 19 1 32.143 64.287 1.44779 607.1 5.8 5.5 5.9
73 0 16 2 32.898 65.797 1.41817 949.5 9.0 8.6 5.9
74 6 9 2 33.337 66.674 1.40162 189.9 1.8 1.7 5.9
75 8 13 0 33.517 67.034 1.39497 338.4 3.2 3.1 5.9
76 1 21 1 33.619 67.238 1.39123 1741.4 16.5 15.8 5.9
77 7 14 1 33.758 67.516 1.38618 537.1 5.1 4.9 5.9
78 5 18 1 33.896 67.793 1.3812 210.3 2.0 1.9 5.9
79 6 10 2 34.055 68.111 1.37552 347.8 3.3 3.1 5.9
80 9 7 1 34.464 68.928 1.36119 609.5 5.8 5.5 5.9
81 8 14 0 34.533 69.066 1.3588 410.3 3.9 3.7 5.9
82 10 4 0 34.776 69.551 1.3505 173.5 1.6 1.6 5.9
83 1 4 3 34.806 69.613 1.34946 407.3 3.9 3.7 5.9
84 4 15 2 34.855 69.711 1.34781 2632.1 25.0 23.7 5.9
85 9 8 1 35.023 70.046 1.34218 1057.0 10.0 9.5 5.9
86 10 5 0 35.11 70.22 1.33927 326.3 3.1 2.9 5.9
87 1 5 3 35.141 70.282 1.33825 495.2 4.7 4.5 5.9
88 1 22 1 35.229 70.457 1.33535 276.1 2.6 2.5 5.9
89 2 23 0 35.357 70.713 1.33113 156.0 1.5 1.4 5.9
90 0 18 2 35.452 70.905 1.32801 181.4 1.7 1.6 5.9
91 9 9 1 35.652 71.303 1.32156 463.8 4.4 4.2 5.9
92 8 0 2 35.731 71.463 1.31901 144.5 1.4 1.3 5.9
93 8 2 2 35.878 71.757 1.31432 971.5 9.2 8.7 5.9
94 4 16 2 36.001 72.001 1.31046 870.9 8.3 7.8 5.9
95 3 3 3 36.079 72.158 1.308 1733.9 16.5 15.6 5.9
96 3 4 3 36.335 72.67 1.30004 1529.8 14.5 13.7 6.0
97 5 20 1 36.709 73.419 1.28862 240.3 2.3 2.2 6.0
98 1 23 1 36.879 73.758 1.28353 154.2 1.5 1.4 6.0
99 2 24 0 37.077 74.155 1.27764 395.4 3.8 3.5 6.0
100 7 18 1 38.455 76.91 1.2386 1016.0 9.6 9.0 6.0
101 10 11 0 38.603 77.206 1.23458 273.5 2.6 2.4 6.0
102 1 12 3 39.453 78.906 1.21219 1148.2 10.9 10.2 6.0
103 5 5 3 39.642 79.285 1.20734 238.8 2.3 2.1 6.0
104 5 22 1 39.727 79.453 1.20521 530.0 5.0 4.7 6.0
105 7 19 1 39.774 79.548 1.20401 1311.5 12.5 11.6 6.0
106 5 6 3 40.033 80.065 1.19753 775.6 7.4 6.8 6.0
107 11 0 1 40.2 80.399 1.1934 1329.3 12.6 11.7 6.0
108 1 13 3 40.339 80.679 1.18996 635.0 6.0 5.6 6.1
109 5 7 3 40.493 80.985 1.18623 582.2 5.5 5.1 6.1
110 2 26 0 40.651 81.303 1.1824 429.1 4.1 3.8 6.1
111 4 25 0 41.045 82.091 1.17303 116.7 1.1 1.0 6.1
112 4 20 2 41.162 82.324 1.1703 114.1 1.1 1.0 6.1
113 5 23 1 41.317 82.633 1.1667 391.4 3.7 3.4 6.1
114 3 13 3 41.8 83.6 1.15566 782.7 7.4 6.9 6.1
115 8 20 0 41.878 83.756 1.1539 153.6 1.5 1.3 6.1
116 1 26 1 42.113 84.226 1.14865 186.0 1.8 1.6 6.1
117 5 10 3 42.287 84.574 1.14481 174.0 1.7 1.5 6.1
118 8 14 2 42.73 85.461 1.13519 734.0 7.0 6.4 6.1
119 10 4 2 42.958 85.916 1.13033 348.7 3.3 3.0 6.1
120 5 11 3 43.023 86.045 1.12897 292.3 2.8 2.5 6.1
121 7 1 3 43.174 86.348 1.12578 294.0 2.8 2.6 6.1
122 7 2 3 43.279 86.558 1.12359 666.0 6.3 5.8 6.1
123 2 23 2 43.505 87.011 1.1189 187.1 1.8 1.6 6.1
124 6 20 2 44.79 89.58 1.09336 133.6 1.3 1.2 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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