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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HEYROVSKYITE
2
Pb(5.86)Bi(2.1)S(8.5)Se(0.5)
Orthorhombic B bmm Z = 4
R =0.0417 NR =1312
20 .6 .12
Ref.Str.:
Pinto D., Balic-Zunic T., Garavelli A., Vurro F. (2011)
* Amer. Mineral., 96, 1120-1128
R: from La Fossa crater, Vulcano, Aeolian Islands, Italy.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.7498 alpha = 90.0
b = 31.5053 beta = 90.0
c = 4.1475 gamma = 90.0
Unit cell volume (cub. angs.) = 1796.66
Molar volume ( cub.cm/mol.) = 270.55
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4205 0.25 0.0 0.0 Pb = 1.00
2 0.5 0.0 0.0 0.0 Pb = 0.72, Bi = 0.28
3 0.2286 0.0581 0.0 0.0 Pb = 0.97, Pb = 0.0
4 0.182 0.1748 0.5 0.0 Pb = 0.54, Bi = 0.46
5 0.4557 0.119 0.5 0.0 Pb = 0.54, Bi = 0.46
6 0.0461 0.1955 0.0 0.0 S = 0.91, Se = 0.09
7 0.0877 0.0854 0.5 0.0 S = 1.00
8 0.2803 0.25 0.5 0.0 S = 1.00
9 0.3254 0.146 0.0 0.0 S = 0.94, Se = 0.06
10 0.3614 0.0268 0.5 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4205 0.25 0.0
2 2 0.5 0.0 0.0
3 3 0.2286 0.0581 0.0
4 4 0.182 0.1748 0.5
5 5 0.4557 0.119 0.5
6 6 0.0461 0.1955 0.0
7 7 0.0877 0.0854 0.5
8 8 0.2803 0.25 0.5
9 9 0.3254 0.146 0.0
10 10 0.3614 0.0268 0.5
11 1 0.5795 0.75 0.0
12 3 0.7714 0.9419 0.0
13 4 0.818 0.8252 0.5
14 5 0.5443 0.881 0.5
15 6 0.9539 0.8045 0.0
16 7 0.9123 0.9146 0.5
17 8 0.7197 0.75 0.5
18 9 0.6746 0.854 0.0
19 10 0.6386 0.9732 0.5
20 2 0.5 0.5 0.0
21 3 0.2286 0.4419 0.0
22 4 0.182 0.3252 0.5
23 5 0.4557 0.381 0.5
24 6 0.0461 0.3045 0.0
25 7 0.0877 0.4146 0.5
26 9 0.3254 0.354 0.0
27 10 0.3614 0.4732 0.5
28 3 0.7714 0.5581 0.0
29 4 0.818 0.6748 0.5
30 5 0.5443 0.619 0.5
31 6 0.9539 0.6955 0.0
32 7 0.9123 0.5854 0.5
33 9 0.6746 0.646 0.0
34 10 0.6386 0.5268 0.5
35 1 0.0795 0.75 0.5
36 2 0.0 0.5 0.5
37 3 0.2714 0.5581 0.5
38 4 0.318 0.6748 0.0
39 5 0.0443 0.619 0.0
40 6 0.4539 0.6955 0.5
41 7 0.4123 0.5854 0.0
42 8 0.2197 0.75 0.0
43 9 0.1746 0.646 0.5
44 10 0.1386 0.5268 0.0
45 1 0.9205 0.25 0.5
46 3 0.7286 0.4419 0.5
47 4 0.682 0.3252 0.0
48 5 0.9557 0.381 0.0
49 6 0.5461 0.3045 0.5
50 7 0.5877 0.4146 0.0
51 8 0.7803 0.25 0.0
52 9 0.8254 0.354 0.5
53 10 0.8614 0.4732 0.0
54 2 0.0 0.0 0.5
55 3 0.2714 0.9419 0.5
56 4 0.318 0.8252 0.0
57 5 0.0443 0.881 0.0
58 6 0.4539 0.8045 0.5
59 7 0.4123 0.9146 0.0
60 9 0.1746 0.854 0.5
61 10 0.1386 0.9732 0.0
62 3 0.7286 0.0581 0.5
63 4 0.682 0.1748 0.0
64 5 0.9557 0.119 0.0
65 6 0.5461 0.1955 0.5
66 7 0.5877 0.0854 0.0
67 9 0.8254 0.146 0.5
68 10 0.8614 0.0268 0.0
X-ray density (g/cm cub.) = 7.22
MU (1/cm) = 1528.191 Mass attenuation coefficient (cm**2/g) = 211.703
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.828 8
2.8316 8
2.8316 8
3.5286 9
3.5286 9
3.1986 6
3.1986 6
3.1986 6
3.1986 6
2 Pb ,Bi 3.828 6
2.94 10
2.94 10
2.94 10
2.94 10
2.949 7
2.949 7
3 Pb ,Pb 3.828 6
2.965 7
2.965 7
3.071 9
2.9347 10
2.9347 10
2.9474 10
4 Pb ,Bi 3.828 6
2.8663 6
2.8663 6
3.0997 7
2.7281 8
3.0023 9
3.0023 9
5 Pb ,Bi 3.828 6
2.8694 9
2.8694 9
3.1806 10
2.7128 6
2.9517 7
2.9517 7
6 S ,Se 4.632 11
4.1475 6
4.1475 6
4.0808 7
4.0808 7
4.1976 8
4.1976 8
4.145 9
3.4347 6
4.0381 8
3.9928 9
3.9928 9
7 S 4.5 12
4.0808 6
4.0808 6
4.1475 7
4.1475 7
4.3154 9
4.3154 9
4.1925 10
4.1573 10
4.1573 10
4.0802 9
4.1709 10
4.1709 10
8 S 4.5 12
4.1976 6
4.1976 6
4.1475 8
4.1475 8
3.9275 9
3.9275 9
4.1976 6
4.1976 6
3.9275 9
3.9275 9
4.0381 6
4.0381 6
9 S ,Se 4.632 12
4.145 6
4.3154 7
4.3154 7
3.9275 8
3.9275 8
4.1475 9
4.1475 9
4.3187 10
4.3187 10
3.9928 6
3.9928 6
4.0802 7
10 S 4.5 12
4.1925 7
4.3187 9
4.3187 9
4.1475 10
4.1475 10
4.168 10
4.1573 7
4.1573 7
4.0658 10
4.0658 10
4.1709 7
4.1709 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 2.803 5.606 0.032 833.46 2 105.4 573.6
2 0 4 0 5.612 11.225 0.063 206.14 2 117.1 175.1
3 2 0 0 6.433 12.866 0.073 156.35 2 30.2 8.8
4 2 1 0 6.585 13.17 0.074 149.11 4 10.0 1.8
5 2 2 0 7.022 14.044 0.079 130.87 4 13.7 3.0
6 2 3 0 7.696 15.392 0.087 108.57 4 65.5 57.8
7 0 6 0 8.435 16.871 0.095 90.0 2 133.5 99.4
8 2 4 0 8.553 17.106 0.097 87.49 4 5.2 0.3
9 2 5 0 9.545 19.09 0.108 69.81 4 209.7 380.2
10 2 6 0 10.637 21.274 0.12 55.79 4 35.5 8.7
11 1 0 1 11.186 22.371 0.126 50.25 4 97.4 59.1
12 1 1 1 11.275 22.55 0.127 49.42 8 218.7 586.1
13 0 8 0 11.279 22.559 0.127 49.39 2 96.3 28.4
14 1 2 1 11.54 23.08 0.13 47.08 8 135.2 213.2
15 2 7 0 11.804 23.607 0.133 44.91 4 898.5 4493.4
16 1 3 1 11.969 23.939 0.135 43.62 8 282.5 862.6
17 1 4 1 12.547 25.094 0.141 39.51 8 796.0 6203.6
18 4 0 0 12.949 25.898 0.145 36.97 2 683.2 1069.2
19 2 8 0 13.027 26.054 0.146 36.5 4 1485.8 9986.1
20 4 1 0 13.027 26.055 0.146 36.5 4 912.2 3763.6
21 1 5 1 13.255 26.511 0.149 35.19 8 855.5 6382.9
22 4 2 0 13.259 26.519 0.149 35.17 4 612.7 1636.0
23 4 3 0 13.638 27.276 0.153 33.13 4 248.6 253.8
24 1 6 1 14.076 28.152 0.158 30.98 8 285.3 625.1
25 0 10 0 14.152 28.304 0.159 30.63 2 264.0 132.3
26 4 4 0 14.152 28.304 0.159 30.63 4 29.0 3.2
27 2 9 0 14.296 28.591 0.16 29.97 4 905.6 3045.8
28 3 0 1 14.506 29.011 0.163 29.06 4 461.8 768.0
29 3 1 1 14.576 29.152 0.163 28.76 8 10.0 0.7
30 3 2 1 14.786 29.571 0.166 27.89 8 815.9 4601.8
31 4 5 0 14.789 29.578 0.166 27.88 4 129.3 57.7
32 1 7 1 14.992 29.985 0.168 27.08 8 154.3 159.8
33 3 3 1 15.129 30.258 0.169 26.55 8 1247.3 10238.0
34 4 6 0 15.535 31.07 0.174 25.08 4 36.1 4.0
35 3 4 1 15.598 31.197 0.175 24.87 8 999.8 6160.8
36 2 10 0 15.601 31.203 0.175 24.86 4 954.6 2806.5
37 1 8 1 15.99 31.981 0.179 23.57 8 38.8 8.8
38 3 5 1 16.184 32.367 0.181 22.97 8 115.5 75.9
39 4 7 0 16.378 32.755 0.183 22.38 4 27.0 2.0
40 3 6 1 16.874 33.748 0.188 20.98 8 352.5 646.0
41 2 11 0 16.939 33.877 0.189 20.8 4 335.6 290.3
42 1 9 1 17.058 34.116 0.19 20.49 8 186.2 176.0
43 0 12 0 17.061 34.122 0.19 20.48 2 358.9 163.4
44 4 8 0 17.304 34.608 0.193 19.86 4 10.6 0.3
45 3 7 1 17.66 35.319 0.197 19.0 8 6.2 0.2
46 1 10 1 18.186 36.372 0.203 17.81 8 170.9 128.9
47 2 12 0 18.304 36.608 0.204 17.56 4 162.4 57.4
48 4 9 0 18.304 36.608 0.204 17.56 4 187.6 76.6
49 3 8 1 18.53 37.059 0.206 17.09 8 208.6 184.4
50 1 11 1 19.366 38.732 0.215 15.51 8 446.5 766.0
51 4 10 0 19.369 38.738 0.215 15.5 4 86.6 14.4
52 3 9 1 19.475 38.951 0.216 15.31 8 84.2 26.9
53 5 0 1 19.638 39.277 0.218 15.03 4 51.3 4.9
54 6 0 0 19.641 39.282 0.218 15.03 2 50.5 2.4
55 5 1 1 19.692 39.385 0.219 14.94 8 201.7 150.7
56 2 13 0 19.695 39.39 0.219 14.94 4 109.1 22.0
57 6 1 0 19.695 39.39 0.219 14.94 4 28.0 1.5
58 5 2 1 19.854 39.708 0.22 14.67 8 12.9 0.6
59 6 2 0 19.856 39.713 0.22 14.67 4 3.5 0.0
60 0 14 0 20.016 40.033 0.222 14.41 2 535.9 256.4
61 5 3 1 20.12 40.241 0.223 14.24 8 284.9 286.6
62 6 3 0 20.123 40.246 0.223 14.24 4 82.7 12.1
63 3 10 1 20.489 40.977 0.227 13.68 8 59.4 12.0
64 5 4 1 20.489 40.977 0.227 13.68 8 53.8 9.8
65 4 11 0 20.491 40.982 0.227 13.68 4 220.7 82.5
66 6 4 0 20.491 40.983 0.227 13.68 4 134.5 30.6
67 1 12 1 20.593 41.185 0.228 13.53 8 1236.0 5121.4
68 5 5 1 20.954 41.909 0.232 13.01 8 673.5 1462.7
69 6 5 0 20.957 41.914 0.232 13.01 4 411.5 272.9
70 2 14 0 21.11 42.22 0.234 12.8 4 31.6 1.6
71 5 6 1 21.512 43.025 0.238 12.27 8 1205.8 4419.3
72 6 6 0 21.515 43.03 0.238 12.26 4 1269.6 2449.4
73 3 11 1 21.562 43.125 0.239 12.2 8 293.9 261.2
74 4 12 0 21.665 43.33 0.24 12.07 4 246.1 90.6
75 0 0 2 21.805 43.609 0.241 11.9 2 2353.2 4082.5
76 1 13 1 21.861 43.723 0.242 11.83 8 938.4 2581.9
77 0 2 2 22.003 44.005 0.243 11.66 4 86.1 10.7
78 5 7 1 22.157 44.315 0.245 11.48 8 912.4 2367.6
79 6 7 0 22.16 44.319 0.245 11.47 4 1091.4 1693.5
80 2 15 0 22.549 45.098 0.249 11.03 4 63.0 5.4
81 0 4 2 22.588 45.176 0.249 10.99 4 95.8 12.5
82 3 12 1 22.691 45.383 0.25 10.88 8 130.0 45.6
83 2 0 2 22.828 45.657 0.252 10.73 4 23.4 0.7
84 2 1 2 22.876 45.753 0.252 10.68 8 7.7 0.2
85 5 8 1 22.883 45.767 0.252 10.67 8 31.1 2.6
86 4 13 0 22.886 45.771 0.252 10.67 4 309.8 126.9
87 6 8 0 22.886 45.771 0.252 10.67 4 27.9 1.0
88 2 2 2 23.019 46.039 0.254 10.53 8 11.8 0.4
89 0 16 0 23.028 46.057 0.254 10.52 2 1382.1 1245.0
90 1 14 1 23.169 46.337 0.255 10.38 8 165.5 70.4
91 2 3 2 23.256 46.513 0.256 10.29 8 53.2 7.2
92 0 6 2 23.538 47.077 0.259 10.01 4 106.5 14.1
93 2 4 2 23.585 47.17 0.26 9.97 8 7.1 0.1
94 5 9 1 23.685 47.37 0.261 9.87 8 292.4 209.2
95 6 9 0 23.687 47.375 0.261 9.87 4 472.6 273.1
96 3 13 1 23.871 47.741 0.263 9.7 8 844.5 1714.1
97 2 5 2 24.003 48.005 0.264 9.58 8 175.8 73.3
98 2 16 0 24.011 48.023 0.264 9.57 4 235.6 65.8
99 4 14 0 24.149 48.299 0.266 9.45 4 428.3 214.7
100 2 6 2 24.505 49.011 0.269 9.14 8 28.2 1.8
101 1 15 1 24.512 49.024 0.269 9.13 8 9.3 0.2
102 5 10 1 24.557 49.115 0.27 9.09 8 557.8 701.0
103 6 10 0 24.56 49.119 0.27 9.09 4 598.8 403.9
104 0 8 2 24.822 49.643 0.272 8.87 4 81.7 7.3
105 2 7 2 25.09 50.18 0.275 8.66 8 763.6 1251.3
106 3 14 1 25.097 50.193 0.275 8.65 8 732.2 1149.9
107 4 15 0 25.454 50.907 0.279 8.38 4 1209.1 1518.0
108 5 11 1 25.496 50.991 0.279 8.35 8 754.4 1177.6
109 2 17 0 25.498 50.995 0.279 8.35 4 284.1 83.5
110 6 11 0 25.498 50.996 0.279 8.35 4 586.1 355.3
111 4 0 2 25.709 51.418 0.282 8.19 4 587.6 350.4
112 7 0 1 25.716 51.431 0.282 8.19 4 442.9 199.0
113 2 8 2 25.753 51.506 0.282 8.16 8 1271.4 3268.9
114 4 1 2 25.753 51.506 0.282 8.16 8 794.8 1277.6
115 7 1 1 25.759 51.519 0.282 8.16 8 709.4 1017.0
116 4 2 2 25.884 51.768 0.283 8.07 8 535.5 573.3
117 1 16 1 25.89 51.78 0.283 8.06 8 14.7 0.4
118 7 2 1 25.89 51.781 0.283 8.06 8 609.1 741.3
119 4 3 2 26.101 52.203 0.286 7.91 8 215.7 91.2
120 7 3 1 26.108 52.215 0.286 7.91 8 386.2 292.4
121 0 18 0 26.109 52.219 0.286 7.91 2 679.0 225.9
122 3 15 1 26.366 52.733 0.288 7.73 8 145.1 40.4
123 0 10 2 26.403 52.807 0.289 7.71 4 223.6 47.8
124 4 4 2 26.403 52.807 0.289 7.71 8 21.8 0.9
125 7 4 1 26.41 52.82 0.289 7.7 8 88.5 14.9
126 2 9 2 26.489 52.978 0.29 7.65 8 738.7 1034.9
127 5 12 1 26.496 52.991 0.29 7.65 8 426.8 345.3
128 6 12 0 26.498 52.995 0.29 7.65 4 366.9 127.5
129 8 0 0 26.626 53.253 0.291 7.56 2 523.0 128.2
130 8 1 0 26.669 53.338 0.291 7.54 4 91.3 7.8
131 4 5 2 26.788 53.577 0.293 7.46 8 111.5 23.0
132 7 5 1 26.795 53.59 0.293 7.46 8 182.8 61.7
133 4 16 0 26.797 53.593 0.293 7.45 4 792.9 580.6
134 8 2 0 26.797 53.594 0.293 7.45 4 885.1 723.6
135 2 18 0 27.009 54.017 0.295 7.32 4 266.0 64.2
136 8 3 0 27.009 54.018 0.295 7.32 4 1012.9 930.7
137 4 6 2 27.254 54.508 0.297 7.17 8 28.3 1.4
138 7 6 1 27.26 54.52 0.297 7.17 8 138.9 34.3
139 2 10 2 27.296 54.592 0.298 7.15 8 800.3 1134.6
140 1 17 1 27.302 54.604 0.298 7.14 8 99.7 17.6
141 8 4 0 27.304 54.609 0.298 7.14 4 623.6 344.2
142 5 13 1 27.553 55.107 0.3 7.0 8 194.6 65.6
143 6 13 0 27.555 55.111 0.3 7.0 4 29.8 0.8
144 3 16 1 27.678 55.356 0.302 6.92 8 6.9 0.1
145 8 5 0 27.681 55.361 0.302 6.92 4 81.8 5.7
146 4 7 2 27.797 55.594 0.303 6.86 8 21.1 0.8
147 7 7 1 27.803 55.606 0.303 6.85 8 99.9 17.0
148 8 6 0 28.136 56.272 0.306 6.67 4 121.3 12.2
149 2 11 2 28.169 56.338 0.306 6.65 8 288.4 137.2
150 4 17 0 28.177 56.354 0.307 6.65 4 38.3 1.2
151 0 12 2 28.251 56.502 0.307 6.61 4 306.1 76.8
152 4 8 2 28.415 56.83 0.309 6.52 8 7.9 0.1
153 7 8 1 28.421 56.843 0.309 6.52 8 102.0 16.8
154 2 19 0 28.545 57.091 0.31 6.46 4 321.3 82.6
155 5 14 1 28.666 57.332 0.311 6.4 8 21.9 0.8
156 6 14 0 28.668 57.336 0.311 6.39 4 34.4 0.9
157 8 7 0 28.668 57.336 0.311 6.39 4 50.1 2.0
158 1 18 1 28.747 57.494 0.312 6.36 8 141.8 31.6
159 3 17 1 29.03 58.061 0.315 6.22 8 236.8 86.3
160 2 12 2 29.105 58.211 0.316 6.18 8 139.1 29.6
161 4 9 2 29.105 58.211 0.316 6.18 8 161.8 40.1
162 7 9 1 29.111 58.223 0.316 6.18 8 49.7 3.8
163 0 20 0 29.274 58.548 0.317 6.1 2 16.0 0.1
164 8 8 0 29.274 58.549 0.317 6.1 4 4.4 0.0
165 4 18 0 29.594 59.188 0.321 5.95 4 825.7 502.9
166 5 15 1 29.831 59.662 0.323 5.85 8 165.3 39.6
167 6 15 0 29.833 59.666 0.323 5.85 4 75.7 4.1
168 4 10 2 29.865 59.73 0.323 5.83 8 75.4 8.2
169 7 10 1 29.871 59.742 0.323 5.83 8 148.3 31.8
170 8 9 0 29.952 59.904 0.324 5.79 4 27.9 0.6
171 6 0 2 30.063 60.126 0.325 5.75 4 44.3 1.4
172 2 13 2 30.102 60.204 0.326 5.73 8 96.0 13.1
173 6 1 2 30.102 60.205 0.326 5.73 8 23.1 0.8
174 2 20 0 30.11 60.219 0.326 5.73 4 130.4 12.1
175 6 2 2 30.221 60.441 0.327 5.68 8 2.6 0.0
176 1 19 1 30.226 60.452 0.327 5.68 8 357.8 180.2
177 0 14 2 30.338 60.677 0.328 5.63 4 468.7 153.3
178 6 3 2 30.417 60.834 0.329 5.6 8 73.1 7.4
179 3 18 1 30.423 60.845 0.329 5.6 8 48.8 3.3
180 4 11 2 30.691 61.382 0.331 5.49 8 193.6 51.0
181 6 4 2 30.691 61.382 0.331 5.49 8 117.1 18.7
182 7 11 1 30.697 61.393 0.331 5.49 8 88.5 10.7
183 8 10 0 30.699 61.397 0.331 5.48 4 79.7 4.3
184 6 5 2 31.041 62.082 0.335 5.35 8 360.0 171.9
185 5 16 1 31.046 62.093 0.335 5.35 8 193.7 49.7
186 4 19 0 31.048 62.096 0.335 5.35 4 929.8 573.0
187 6 16 0 31.048 62.097 0.335 5.35 4 238.8 37.8
188 2 14 2 31.157 62.314 0.336 5.31 8 27.6 1.0
189 6 6 2 31.466 62.931 0.339 5.19 8 1109.9 1585.7
190 8 11 0 31.512 63.023 0.339 5.18 4 233.0 34.8
191 4 12 2 31.581 63.162 0.34 5.15 8 216.4 59.8
192 7 12 1 31.586 63.173 0.34 5.15 8 301.9 116.3
193 2 21 0 31.703 63.406 0.341 5.11 4 408.1 105.4
194 1 20 1 31.739 63.479 0.341 5.1 8 488.9 301.9
195 3 19 1 31.854 63.708 0.343 5.06 8 688.1 593.4
196 6 7 2 31.963 63.927 0.344 5.02 8 956.5 1137.9
197 2 15 2 32.268 64.535 0.347 4.92 8 56.8 3.9
198 5 17 1 32.311 64.622 0.347 4.9 8 58.3 4.1
199 6 17 0 32.313 64.626 0.347 4.9 4 106.5 6.9
200 8 12 0 32.389 64.778 0.348 4.88 4 105.3 6.7
201 9 0 1 32.501 65.001 0.349 4.84 4 173.4 18.0
202 4 13 2 32.533 65.065 0.349 4.83 8 274.7 90.3
203 6 8 2 32.533 65.065 0.349 4.83 8 22.2 0.6
204 7 13 1 32.538 65.076 0.349 4.83 8 150.4 27.1
205 9 1 1 32.538 65.077 0.349 4.83 8 1.5 0.0
206 0 22 0 32.54 65.079 0.349 4.83 2 201.2 12.1
207 4 20 0 32.54 65.079 0.349 4.83 4 340.2 69.3
208 0 16 2 32.646 65.291 0.35 4.79 4 1224.0 890.1
209 9 2 1 32.652 65.303 0.35 4.79 8 167.3 33.3
210 9 3 1 32.84 65.68 0.352 4.73 8 84.7 8.4
211 9 4 1 33.102 66.205 0.355 4.65 8 101.0 11.8
212 6 9 2 33.172 66.343 0.355 4.63 8 417.5 200.2
213 1 21 1 33.289 66.577 0.356 4.6 8 905.3 934.0
214 3 20 1 33.326 66.652 0.357 4.59 8 783.9 698.7
215 2 22 0 33.328 66.656 0.357 4.59 4 222.2 28.1
216 8 13 0 33.328 66.656 0.357 4.59 4 705.1 282.6
217 2 16 2 33.433 66.865 0.358 4.56 8 208.7 49.2
218 9 5 1 33.438 66.877 0.358 4.56 8 145.8 24.0
219 4 14 2 33.544 67.089 0.359 4.52 8 380.4 162.3
220 7 14 1 33.55 67.1 0.359 4.52 8 527.5 312.0
221 5 18 1 33.624 67.248 0.359 4.5 8 344.7 132.6
222 6 18 0 33.626 67.252 0.359 4.5 4 348.0 67.6
223 9 6 1 33.847 67.694 0.362 4.44 8 141.3 22.0
224 6 10 2 33.878 67.756 0.362 4.43 8 534.4 313.7
225 1 0 3 34.054 68.108 0.363 4.38 4 76.8 3.2
226 4 21 0 34.07 68.14 0.364 4.38 4 0.7 0.0
227 10 0 0 34.07 68.141 0.364 4.38 2 107.3 3.1
228 1 1 3 34.091 68.182 0.364 4.37 8 163.8 29.1
229 10 1 0 34.107 68.215 0.364 4.37 4 84.8 3.9
230 1 2 3 34.201 68.403 0.365 4.35 8 106.6 12.2
231 10 2 0 34.218 68.436 0.365 4.34 4 28.5 0.4
232 9 7 1 34.326 68.653 0.366 4.31 8 735.3 577.8
233 8 14 0 34.328 68.656 0.366 4.31 4 838.9 376.0
234 1 3 3 34.385 68.771 0.367 4.3 8 213.0 48.3
235 10 3 0 34.402 68.804 0.367 4.29 4 76.9 3.1
236 4 15 2 34.614 69.229 0.369 4.24 8 1076.3 1217.0
237 7 15 1 34.62 69.24 0.369 4.24 8 995.8 1041.4
238 1 4 3 34.642 69.284 0.369 4.23 8 615.0 396.6
239 2 17 2 34.651 69.302 0.369 4.23 8 253.5 67.4
240 6 11 2 34.651 69.302 0.369 4.23 8 525.4 289.3
241 10 4 0 34.659 69.317 0.369 4.23 4 521.6 142.5
242 3 21 1 34.839 69.678 0.371 4.18 8 129.0 17.2
243 1 22 1 34.875 69.751 0.371 4.17 8 549.1 312.0
244 9 8 1 34.876 69.752 0.371 4.17 8 939.9 913.9
245 1 5 3 34.971 69.942 0.372 4.15 8 667.3 458.1
246 5 19 1 34.985 69.97 0.372 4.15 8 127.5 16.7
247 2 23 0 34.987 69.973 0.372 4.15 4 524.8 141.6
248 6 19 0 34.987 69.974 0.372 4.15 4 17.2 0.2
249 10 5 0 34.987 69.975 0.372 4.15 4 770.9 305.4
250 0 18 2 35.162 70.324 0.374 4.11 4 610.6 189.7
251 1 6 3 35.371 70.742 0.376 4.06 8 228.2 52.4
252 8 15 0 35.387 70.774 0.376 4.05 4 156.4 12.3
253 10 6 0 35.387 70.775 0.376 4.05 4 336.9 57.0
254 6 12 2 35.489 70.977 0.377 4.03 8 329.2 108.3
255 9 9 1 35.494 70.988 0.377 4.03 8 663.7 439.9
256 3 0 3 35.589 71.177 0.378 4.01 4 347.1 59.8
257 8 0 2 35.597 71.195 0.378 4.01 4 467.1 108.3
258 3 1 3 35.625 71.249 0.378 4.0 8 3.7 0.0
259 8 1 2 35.634 71.267 0.378 4.0 8 81.9 6.6
260 4 22 0 35.64 71.28 0.378 4.0 4 46.9 1.1
261 3 2 3 35.733 71.466 0.379 3.98 8 611.4 368.5
262 4 16 2 35.742 71.484 0.379 3.97 8 707.9 493.6
263 8 2 2 35.742 71.484 0.379 3.97 8 790.9 616.3
264 7 16 1 35.747 71.494 0.379 3.97 8 558.2 306.9
265 1 7 3 35.841 71.683 0.38 3.95 8 121.7 14.5
266 10 7 0 35.857 71.715 0.38 3.95 4 185.0 16.8
267 3 3 3 35.914 71.827 0.381 3.94 8 935.8 854.6
268 2 18 2 35.922 71.844 0.381 3.94 8 237.6 55.1
269 8 3 2 35.923 71.845 0.381 3.94 8 905.1 799.1
270 0 24 0 35.929 71.858 0.381 3.93 2 444.5 48.2
271 3 4 3 36.166 72.331 0.383 3.88 8 754.0 547.4
272 8 4 2 36.174 72.349 0.383 3.88 8 558.3 299.9
273 9 10 1 36.18 72.359 0.383 3.88 8 870.9 729.7
274 1 8 3 36.381 72.762 0.385 3.84 8 34.3 1.1
275 6 13 2 36.39 72.779 0.385 3.84 8 27.0 0.7
276 3 22 1 36.395 72.789 0.385 3.84 8 71.1 4.8
277 5 20 1 36.395 72.789 0.385 3.84 8 379.0 136.6
278 6 20 0 36.396 72.793 0.385 3.84 4 433.9 89.5
279 10 8 0 36.397 72.794 0.385 3.84 4 113.2 6.1
280 3 5 3 36.488 72.977 0.386 3.82 8 86.2 7.0
281 8 5 2 36.497 72.995 0.386 3.82 8 73.3 5.1
282 1 23 1 36.502 73.004 0.386 3.82 8 428.8 173.9
283 8 16 0 36.504 73.008 0.386 3.82 4 116.5 6.4
284 2 24 0 36.683 73.365 0.388 3.78 4 763.9 273.4
285 3 6 3 36.882 73.763 0.39 3.74 8 268.3 66.7
286 8 6 2 36.891 73.781 0.39 3.74 8 108.9 11.0
287 4 17 2 36.926 73.852 0.39 3.73 8 34.9 1.1
288 7 17 1 36.931 73.862 0.39 3.73 8 58.1 3.1
289 9 11 1 36.931 73.863 0.39 3.73 8 322.7 96.3
290 1 9 3 36.989 73.977 0.391 3.72 8 145.6 19.5
291 10 9 0 37.004 74.009 0.391 3.72 4 260.8 31.4
292 2 19 2 37.246 74.492 0.393 3.67 8 288.9 76.0
293 4 23 0 37.253 74.506 0.393 3.67 4 330.2 49.6
294 3 7 3 37.344 74.689 0.394 3.66 8 5.3 0.0
295 6 14 2 37.353 74.706 0.394 3.66 8 30.6 0.8
296 8 7 2 37.353 74.706 0.394 3.66 8 45.4 1.9
297 1 10 3 37.663 75.327 0.397 3.6 8 129.8 15.0
298 8 17 0 37.679 75.358 0.397 3.6 4 158.5 11.2
299 10 10 0 37.679 75.358 0.397 3.6 4 35.8 0.6
300 9 12 1 37.748 75.496 0.397 3.59 8 284.0 71.7
301 5 21 1 37.854 75.708 0.398 3.57 8 232.3 47.7
302 6 21 0 37.856 75.711 0.398 3.57 4 45.4 0.9
303 3 8 3 37.876 75.751 0.399 3.56 8 160.5 22.8
304 0 20 2 37.884 75.768 0.399 3.56 4 15.2 0.1
305 8 8 2 37.884 75.769 0.399 3.56 8 4.1 0.0
306 3 23 1 37.995 75.99 0.4 3.54 8 191.7 32.3
307 4 18 2 38.166 76.333 0.401 3.52 8 744.4 482.9
308 1 24 1 38.171 76.343 0.401 3.52 8 303.3 80.2
309 7 18 1 38.172 76.343 0.401 3.52 8 787.7 540.7
310 6 15 2 38.378 76.756 0.403 3.48 8 68.5 4.1
311 1 11 3 38.404 76.809 0.403 3.48 8 349.2 105.1
312 2 25 0 38.42 76.839 0.403 3.48 4 226.3 22.1
313 10 11 0 38.42 76.84 0.403 3.48 4 466.5 93.7
314 3 9 3 38.475 76.95 0.404 3.47 8 65.9 3.7
315 8 9 2 38.484 76.967 0.404 3.47 8 25.2 0.5
316 5 0 3 38.58 77.161 0.405 3.45 4 42.7 0.8
317 5 1 3 38.615 77.231 0.405 3.45 8 158.5 21.4
318 2 20 2 38.624 77.247 0.405 3.45 8 117.7 11.8
319 9 13 1 38.629 77.258 0.405 3.44 8 40.7 1.4
320 5 2 3 38.721 77.442 0.406 3.43 8 11.1 0.1
321 5 3 3 38.896 77.792 0.408 3.4 8 224.0 42.4
322 4 24 0 38.911 77.822 0.408 3.4 4 18.9 0.2
323 8 18 0 38.911 77.823 0.408 3.4 4 173.5 12.7
324 3 10 3 39.141 78.282 0.41 3.37 8 46.7 1.8
325 5 4 3 39.141 78.282 0.41 3.37 8 41.5 1.4
326 8 10 2 39.15 78.3 0.41 3.37 8 72.0 4.3
327 1 12 3 39.211 78.422 0.41 3.36 8 974.6 790.8
328 10 12 0 39.227 78.453 0.41 3.36 4 872.3 316.6
329 5 22 1 39.364 78.728 0.412 3.34 8 619.2 317.2
330 6 22 0 39.366 78.732 0.412 3.34 4 619.4 158.7
331 5 5 3 39.456 78.911 0.412 3.33 8 532.0 233.3
332 4 19 2 39.464 78.928 0.413 3.32 8 842.2 584.4
333 6 16 2 39.464 78.928 0.413 3.32 8 216.0 38.4
334 7 19 1 39.469 78.938 0.413 3.32 8 962.2 762.7
335 0 26 0 39.47 78.941 0.413 3.32 2 391.9 31.6
336 9 14 1 39.574 79.148 0.414 3.31 8 153.5 19.3
337 3 24 1 39.643 79.286 0.414 3.3 8 135.7 15.1
338 5 6 3 39.839 79.678 0.416 3.28 8 955.5 741.0
339 3 11 3 39.874 79.748 0.416 3.27 8 235.1 44.8
340 8 11 2 39.882 79.765 0.416 3.27 8 211.3 36.2
341 1 25 1 39.887 79.774 0.416 3.27 8 119.4 11.6
342 2 21 2 40.056 80.112 0.418 3.25 8 370.2 110.3
343 11 0 1 40.062 80.123 0.418 3.25 4 1790.4 1289.7
344 1 13 3 40.082 80.165 0.418 3.24 8 744.1 445.3
345 11 1 1 40.096 80.193 0.418 3.24 8 212.7 36.3
346 10 13 0 40.098 80.196 0.418 3.24 4 637.5 163.3
347 11 2 1 40.201 80.401 0.419 3.23 8 130.8 13.7
348 2 26 0 40.202 80.403 0.419 3.23 4 1064.2 453.3
349 8 19 0 40.202 80.404 0.419 3.23 4 563.3 127.0
350 5 7 3 40.291 80.582 0.42 3.22 8 725.4 419.8
351 11 3 1 40.374 80.748 0.42 3.21 8 108.9 9.4
352 9 15 1 40.582 81.164 0.422 3.18 8 90.5 6.5
353 6 17 2 40.611 81.223 0.423 3.18 8 96.6 7.4
354 11 4 1 40.617 81.234 0.423 3.18 8 131.0 13.5
355 4 25 0 40.618 81.236 0.423 3.18 4 513.3 103.8
356 3 12 3 40.672 81.345 0.423 3.17 8 103.9 8.5
357 8 12 2 40.681 81.362 0.423 3.17 8 95.7 7.2
358 5 8 3 40.811 81.622 0.424 3.16 8 26.3 0.5
359 0 22 2 40.819 81.638 0.424 3.16 4 183.0 13.1
360 4 20 2 40.819 81.638 0.424 3.16 8 309.6 75.0
361 7 20 1 40.824 81.649 0.424 3.16 8 267.5 56.0
362 5 23 1 40.928 81.856 0.425 3.15 8 492.6 189.2
363 11 5 1 40.929 81.857 0.425 3.15 8 120.2 11.3
364 6 23 0 40.93 81.859 0.425 3.15 4 655.9 167.7
365 1 14 3 41.018 82.037 0.426 3.14 8 131.1 13.4
366 10 14 0 41.034 82.068 0.426 3.13 4 179.8 12.6
367 11 6 1 41.309 82.618 0.428 3.11 8 143.8 15.9
368 3 25 1 41.343 82.685 0.429 3.1 8 200.7 31.0
369 5 9 3 41.399 82.797 0.429 3.1 8 234.9 42.3
370 3 13 3 41.537 83.073 0.43 3.08 8 681.9 355.2
371 2 22 2 41.545 83.09 0.43 3.08 8 201.9 31.1
372 8 13 2 41.545 83.09 0.43 3.08 8 641.2 314.0
373 8 20 0 41.552 83.103 0.431 3.08 4 574.8 126.1
374 1 26 1 41.653 83.306 0.431 3.07 8 412.1 129.2
375 9 16 1 41.654 83.307 0.431 3.07 8 51.0 2.0
376 11 7 1 41.757 83.515 0.432 3.06 8 150.1 17.1
377 6 18 2 41.821 83.642 0.433 3.05 8 317.1 76.1
378 1 15 3 42.019 84.038 0.435 3.04 8 7.8 0.0
379 2 27 0 42.034 84.068 0.435 3.04 4 181.3 12.4
380 10 15 0 42.034 84.069 0.435 3.04 4 53.4 1.1
381 5 10 3 42.054 84.107 0.435 3.03 8 452.2 153.7
382 4 21 2 42.234 84.468 0.436 3.02 8 0.4 0.0
383 10 0 2 42.234 84.469 0.436 3.02 4 98.2 3.6
384 7 21 1 42.239 84.478 0.436 3.02 8 77.8 4.5
385 12 0 0 42.241 84.483 0.436 3.02 2 133.2 3.3
386 10 1 2 42.269 84.538 0.437 3.01 8 77.6 4.5
387 11 8 1 42.274 84.548 0.437 3.01 8 2.5 0.0
388 12 1 0 42.276 84.551 0.437 3.01 4 278.9 29.1
389 10 2 2 42.372 84.744 0.437 3.01 8 26.0 0.5
390 4 26 0 42.378 84.756 0.438 3.0 4 153.8 8.8
391 12 2 0 42.379 84.758 0.438 3.0 4 68.0 1.7
392 3 14 3 42.466 84.933 0.438 3.0 8 596.0 263.9
393 8 14 2 42.475 84.95 0.438 3.0 8 764.3 433.8
394 10 3 2 42.544 85.088 0.439 2.99 8 69.8 3.6
395 5 24 1 42.548 85.097 0.439 2.99 8 151.4 17.0
396 6 24 0 42.55 85.1 0.439 2.99 4 139.5 7.2
397 12 3 0 42.551 85.102 0.439 2.99 4 358.4 47.6
398 5 11 3 42.776 85.552 0.441 2.97 8 615.1 278.7
399 10 4 2 42.785 85.569 0.441 2.97 8 475.5 166.4
400 9 17 1 42.789 85.579 0.441 2.97 8 245.3 44.3
401 12 4 0 42.791 85.583 0.441 2.97 4 553.9 112.9
402 11 9 1 42.858 85.717 0.442 2.97 8 187.7 25.9
403 7 0 3 42.948 85.896 0.442 2.96 4 360.7 47.7
404 8 21 0 42.963 85.925 0.442 2.96 4 153.6 8.6
405 7 1 3 42.982 85.964 0.443 2.96 8 579.1 245.7
406 1 16 3 43.085 86.17 0.443 2.95 8 11.7 0.1
407 7 2 3 43.085 86.17 0.443 2.95 8 496.9 180.3
408 2 23 2 43.093 86.186 0.443 2.95 8 479.3 167.8
409 6 19 2 43.093 86.186 0.443 2.95 8 15.8 0.2
410 10 5 2 43.094 86.187 0.443 2.95 8 702.5 360.5
411 3 26 1 43.098 86.196 0.444 2.95 8 76.2 4.2
412 10 16 0 43.1 86.2 0.444 2.95 4 102.5 3.8
413 12 5 0 43.1 86.201 0.444 2.95 4 480.4 84.3
414 0 28 0 43.202 86.405 0.444 2.94 2 209.1 8.0
415 7 3 3 43.257 86.513 0.445 2.93 8 315.2 72.2
416 3 15 3 43.462 86.925 0.447 2.92 8 119.0 10.2
417 8 15 2 43.471 86.942 0.447 2.92 8 141.3 14.5
418 10 6 2 43.471 86.942 0.447 2.92 8 307.0 68.2
419 1 27 1 43.475 86.951 0.447 2.92 8 38.2 1.1
420 12 6 0 43.478 86.956 0.447 2.92 4 202.6 14.8
421 7 4 3 43.497 86.994 0.447 2.92 8 72.2 3.8
422 11 10 1 43.51 87.021 0.447 2.92 8 114.1 9.4
423 5 12 3 43.565 87.131 0.447 2.91 8 349.2 88.0
424 4 22 2 43.711 87.421 0.449 2.9 8 42.8 1.3
425 7 22 1 43.716 87.431 0.449 2.9 8 156.7 17.7
426 7 5 3 43.805 87.611 0.449 2.9 8 150.4 16.2
427 10 7 2 43.917 87.833 0.45 2.89 8 169.0 20.5
428 2 28 0 43.923 87.845 0.45 2.89 4 42.0 0.6
429 12 7 0 43.924 87.847 0.45 2.89 4 12.2 0.1
430 0 24 2 43.985 87.969 0.451 2.89 4 406.7 59.1
431 9 18 1 43.99 87.98 0.451 2.89 8 55.5 2.2
432 7 6 3 44.182 88.365 0.452 2.87 8 113.8 9.2
433 4 27 0 44.197 88.394 0.453 2.87 4 332.8 39.4
434 1 17 3 44.216 88.433 0.453 2.87 8 81.6 4.7
435 5 25 1 44.23 88.459 0.453 2.87 8 310.8 68.7
436 11 11 1 44.23 88.46 0.453 2.87 8 169.9 20.5
437 6 25 0 44.231 88.462 0.453 2.87 4 148.6 7.9
438 10 17 0 44.232 88.463 0.453 2.87 4 166.1 9.8
439 5 13 3 44.422 88.844 0.454 2.86 8 160.3 18.2
440 6 20 2 44.43 88.861 0.454 2.86 8 397.3 111.8
441 10 8 2 44.431 88.861 0.454 2.86 8 103.6 7.6
442 8 22 0 44.437 88.874 0.454 2.86 4 192.2 13.1
443 12 8 0 44.437 88.875 0.454 2.86 4 55.9 1.1
444 3 16 3 44.525 89.049 0.455 2.85 8 6.0 0.0
445 8 16 2 44.533 89.066 0.455 2.85 8 107.1 8.1
446 7 7 3 44.628 89.255 0.456 2.85 8 82.3 4.8
447 2 24 2 44.704 89.408 0.457 2.84 8 700.3 345.6
448 3 27 1 44.915 89.829 0.458 2.83 8 416.6 121.8
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 2.803 5.606 15.75265 573.6 4.2 4.2 5.5
2 0 4 0 5.612 11.225 7.87633 175.1 1.3 1.3 5.6
3 2 5 0 9.545 19.09 4.64517 380.2 2.8 2.8 5.6
4 1 1 1 11.275 22.55 3.93962 614.5 4.5 4.5 5.6
5 1 2 1 11.54 23.08 3.85035 213.2 1.6 1.6 5.6
6 2 7 0 11.804 23.607 3.76558 4493.4 32.7 32.7 5.6
7 1 3 1 11.969 23.939 3.71416 862.6 6.3 6.3 5.6
8 1 4 1 12.547 25.094 3.54569 6203.6 45.1 45.2 5.6
9 4 0 0 12.949 25.898 3.43745 1069.2 7.8 7.8 5.6
10 2 8 0 13.027 26.054 3.41721 13749.7 100.0 100.0 5.6
11 1 5 1 13.255 26.511 3.35938 8018.9 58.3 58.3 5.6
12 4 3 0 13.638 27.276 3.2669 253.8 1.8 1.8 5.6
13 1 6 1 14.076 28.152 3.16716 625.1 4.5 4.5 5.6
14 2 9 0 14.296 28.591 3.11948 3045.8 22.2 22.1 5.6
15 3 0 1 14.506 29.011 3.07527 768.0 5.6 5.6 5.6
16 3 2 1 14.786 29.571 3.0183 4659.6 33.9 33.8 5.6
17 1 7 1 14.992 29.985 2.9776 159.8 1.2 1.2 5.6
18 3 3 1 15.129 30.258 2.95134 10238.0 74.5 74.2 5.6
19 3 4 1 15.598 31.197 2.86466 8967.4 65.2 64.9 5.6
20 3 6 1 16.874 33.748 2.65366 646.0 4.7 4.7 5.7
21 2 11 0 16.939 33.877 2.64386 290.3 2.1 2.1 5.7
22 1 9 1 17.058 34.116 2.62587 339.4 2.5 2.5 5.7
23 3 8 1 18.53 37.059 2.42381 184.4 1.3 1.3 5.7
24 1 11 1 19.366 38.732 2.3229 780.4 5.7 5.6 5.7
25 5 1 1 19.692 39.385 2.28589 174.2 1.3 1.3 5.7
26 0 14 0 20.016 40.033 2.25038 256.4 1.9 1.8 5.7
27 5 3 1 20.12 40.241 2.23923 298.7 2.2 2.1 5.7
28 1 12 1 20.593 41.185 2.19002 5121.4 37.2 36.7 5.7
29 5 5 1 20.954 41.909 2.15387 1735.6 12.6 12.4 5.7
30 5 6 1 21.512 43.025 2.10055 6868.7 50.0 49.2 5.7
31 3 11 1 21.562 43.125 2.09591 261.2 1.9 1.9 5.7
32 0 0 2 21.805 43.609 2.07375 4082.5 29.7 29.2 5.7
33 1 13 1 21.861 43.723 2.06864 2581.9 18.8 18.5 5.7
34 5 7 1 22.157 44.315 2.04237 4061.2 29.5 29.0 5.7
35 0 16 0 23.028 46.057 1.96908 1245.0 9.1 8.9 5.7
36 6 9 0 23.687 47.375 1.91733 482.3 3.5 3.4 5.7
37 3 13 1 23.871 47.741 1.90346 1714.1 12.5 12.2 5.7
38 2 5 2 24.003 48.005 1.89362 139.2 1.0 1.0 5.7
39 4 14 0 24.149 48.299 1.88279 214.7 1.6 1.5 5.7
40 5 10 1 24.557 49.115 1.85339 1104.9 8.0 7.9 5.7
41 2 7 2 25.09 50.18 1.81651 2401.2 17.5 17.1 5.7
42 4 15 0 25.454 50.907 1.79227 1518.0 11.0 10.8 5.8
43 5 11 1 25.496 50.991 1.7895 1616.4 11.8 11.5 5.8
44 4 0 2 25.709 51.418 1.77565 549.4 4.0 3.9 5.8
45 2 8 2 25.753 51.506 1.77284 5563.5 40.5 39.5 5.8
46 7 2 1 25.89 51.781 1.76406 1315.0 9.6 9.3 5.8
47 0 18 0 26.109 52.219 1.75029 609.5 4.4 4.3 5.8
48 2 9 2 26.489 52.978 1.72697 1507.7 11.0 10.7 5.8
49 8 2 0 26.797 53.594 1.70859 1389.0 10.1 9.8 5.8
50 8 3 0 27.009 54.018 1.69616 994.8 7.2 7.0 5.8
51 2 10 2 27.296 54.592 1.67969 1496.4 10.9 10.6 5.8
52 2 11 2 28.169 56.338 1.6317 138.4 1.0 1.0 5.8
53 4 18 0 29.594 59.188 1.55974 502.9 3.7 3.5 5.8
54 1 19 1 30.226 60.452 1.53012 180.2 1.3 1.3 5.8
55 0 14 2 30.338 60.677 1.52499 153.3 1.1 1.1 5.8
56 4 19 0 31.048 62.096 1.49349 832.4 6.1 5.8 5.8
57 6 6 2 31.466 62.931 1.47567 1585.7 11.5 11.1 5.9
58 7 12 1 31.586 63.173 1.4706 176.1 1.3 1.2 5.9
59 1 20 1 31.739 63.479 1.46425 301.9 2.2 2.1 5.9
60 3 19 1 31.854 63.708 1.45953 593.4 4.3 4.1 5.9
61 6 7 2 31.963 63.927 1.45506 1137.9 8.3 7.9 5.9
62 4 13 2 32.533 65.065 1.43234 199.4 1.5 1.4 5.9
63 0 16 2 32.646 65.291 1.42792 923.3 6.7 6.4 5.9
64 6 9 2 33.172 66.343 1.40781 200.2 1.5 1.4 5.9
65 1 21 1 33.289 66.577 1.40342 934.0 6.8 6.5 5.9
66 3 20 1 33.326 66.652 1.40203 1009.4 7.3 7.0 5.9
67 7 14 1 33.55 67.1 1.39377 474.3 3.4 3.3 5.9
68 5 18 1 33.624 67.248 1.39105 200.2 1.5 1.4 5.9
69 6 10 2 33.878 67.756 1.38184 313.7 2.3 2.2 5.9
70 9 7 1 34.326 68.653 1.36597 953.9 6.9 6.6 5.9
71 4 15 2 34.614 69.229 1.35601 2655.0 19.3 18.3 5.9
72 10 4 0 34.659 69.317 1.3545 499.2 3.6 3.4 5.9
73 9 8 1 34.876 69.752 1.34711 1225.9 8.9 8.5 5.9
74 1 5 3 34.971 69.942 1.34391 922.0 6.7 6.4 5.9
75 0 18 2 35.162 70.324 1.33755 189.7 1.4 1.3 5.9
76 9 9 1 35.494 70.988 1.32665 548.2 4.0 3.8 5.9
77 8 0 2 35.597 71.195 1.32331 168.2 1.2 1.2 5.9
78 8 2 2 35.742 71.484 1.31866 1785.3 13.0 12.3 5.9
79 3 3 3 35.914 71.827 1.31321 1756.9 12.8 12.1 5.9
80 9 10 1 36.18 72.359 1.30485 1577.0 11.5 10.8 5.9
81 10 8 0 36.397 72.794 1.29813 238.9 1.7 1.6 6.0
82 1 23 1 36.502 73.004 1.29491 192.4 1.4 1.3 6.0
83 2 24 0 36.683 73.365 1.28943 273.4 2.0 1.9 6.0
84 7 18 1 38.172 76.343 1.24637 1103.8 8.0 7.5 6.0
85 10 11 0 38.42 76.84 1.23954 225.0 1.6 1.5 6.0
86 1 12 3 39.211 78.422 1.21845 1107.4 8.1 7.5 6.0
87 5 22 1 39.364 78.728 1.21448 475.9 3.5 3.2 6.0
88 7 19 1 39.469 78.938 1.21178 1650.5 12.0 11.2 6.0
89 5 6 3 39.839 79.678 1.20237 741.0 5.4 5.0 6.0
90 1 13 3 40.082 80.165 1.19629 2044.9 14.9 13.8 6.0
91 8 19 0 40.202 80.404 1.19334 593.9 4.3 4.0 6.0
92 5 7 3 40.291 80.582 1.19115 419.8 3.1 2.8 6.1
93 7 20 1 40.824 81.649 1.17826 144.1 1.0 1.0 6.1
94 5 23 1 40.928 81.856 1.1758 368.1 2.7 2.5 6.1
95 3 13 3 41.537 83.073 1.16164 826.5 6.0 5.5 6.1
96 5 10 3 42.054 84.107 1.14997 167.2 1.2 1.1 6.1
97 8 14 2 42.475 84.95 1.1407 697.7 5.1 4.7 6.1
98 5 11 3 42.776 85.552 1.13421 602.4 4.4 4.0 6.1
99 7 1 3 42.982 85.964 1.12982 245.7 1.8 1.6 6.1
100 10 5 2 43.094 86.187 1.12747 801.1 5.8 5.3 6.1
101 6 20 2 44.43 88.861 1.10034 151.8 1.1 1.0 6.2
102 2 24 2 44.704 89.408 1.09501 345.6 2.5 2.3 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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