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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GRAFTONITE
2, analogue
Hg(3)[AsO(4)](2)
Monoclinic P 2(1)/c Z = 4
R =0.0446 NR =2733
14 .4 .1905
Ref.Str.:
A.-K. Larsson, S. Lidin, C. St„lhandske, J. Albertsson (1993)
* Acta Cryst. (1993). C49, 784-786
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.0049 alpha = 90.0
b = 11.7555 beta = 99.69
c = 6.5374 gamma = 90.0
Unit cell volume (cub. angs.) = 757.92
Molar volume ( cub.cm/mol.) = 114.13
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0464 0.621 0.6657 0.0 Hg = 1.00
2 0.7027 0.3938 0.8198 0.0 Hg = 1.00
3 0.6589 0.6704 0.4063 0.0 Hg = 1.00
4 0.6045 0.4044 0.2951 0.0 As = 1.00
5 0.5472 0.5383 0.2289 0.0 O = 1.00
6 0.7232 0.4156 0.5145 0.0 O = 1.00
7 0.705 0.3504 0.1291 0.0 O = 1.00
8 0.4785 0.3146 0.3172 0.0 O = 1.00
9 0.9037 0.8682 0.593 0.0 As = 1.00
10 0.0499 0.7937 0.5836 0.0 O = 1.00
11 0.7871 0.7702 0.6303 0.0 O = 1.00
12 0.9137 0.9427 0.819 0.0 O = 1.00
13 0.8681 0.9459 0.3787 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0464 0.621 0.6657
2 2 0.7027 0.3938 0.8198
3 3 0.6589 0.6704 0.4063
4 4 0.6045 0.4044 0.2951
5 5 0.5472 0.5383 0.2289
6 6 0.7232 0.4156 0.5145
7 7 0.705 0.3504 0.1291
8 8 0.4785 0.3146 0.3172
9 9 0.9037 0.8682 0.593
10 10 0.0499 0.7937 0.5836
11 11 0.7871 0.7702 0.6303
12 12 0.9137 0.9427 0.819
13 13 0.8681 0.9459 0.3787
14 1 0.9536 0.121 0.8343
15 2 0.2973 0.8938 0.6802
16 3 0.3411 0.1704 0.0937
17 4 0.3955 0.9044 0.2049
18 5 0.4528 0.0383 0.2711
19 6 0.2768 0.9156 0.9855
20 7 0.295 0.8504 0.3709
21 8 0.5215 0.8146 0.1828
22 9 0.0963 0.3682 0.907
23 10 0.9501 0.2937 0.9164
24 11 0.2129 0.2702 0.8697
25 12 0.0863 0.4427 0.681
26 13 0.1319 0.4459 0.1213
27 1 0.0464 0.879 0.1657
28 2 0.7027 0.1062 0.3198
29 3 0.6589 0.8296 0.9063
30 4 0.6045 0.0956 0.7951
31 5 0.5472 0.9617 0.7289
32 6 0.7232 0.0844 0.0145
33 7 0.705 0.1496 0.6291
34 8 0.4785 0.1854 0.8172
35 9 0.9037 0.6318 0.093
36 10 0.0499 0.7063 0.0836
37 11 0.7871 0.7298 0.1303
38 12 0.9137 0.5573 0.319
39 13 0.8681 0.5541 0.8787
40 1 0.9536 0.379 0.3343
41 2 0.2973 0.6062 0.1802
42 3 0.3411 0.3296 0.5937
43 4 0.3955 0.5956 0.7049
44 5 0.4528 0.4617 0.7711
45 6 0.2768 0.5844 0.4855
46 7 0.295 0.6496 0.8709
47 8 0.5215 0.6854 0.6828
48 9 0.0963 0.1318 0.407
49 10 0.9501 0.2063 0.4164
50 11 0.2129 0.2298 0.3697
51 12 0.0863 0.0573 0.181
52 13 0.1319 0.0541 0.6213
X-ray density (g/cm cub.) = 7.71
MU (1/cm) = 1832.861 Mass attenuation coefficient (cm**2/g) = 237.846
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Hg 2.976 7
2.1017 10
2.1329 12
2.9049 10
2.5393 12
2.5643 13
2.7929 6
2.6412 7
2 Hg 2.976 5
2.0565 6
2.0818 7
2.7174 10
2.4946 13
2.5926 5
3 Hg 2.976 5
2.1376 5
2.1293 11
2.4944 8
2.4834 11
2.4545 8
4 As 2.46 4
1.7059 5
1.7064 6
1.7201 7
1.669 8
5 O 3.264 4
2.7497 6
2.8537 7
2.8026 8
3.1159 5
6 O 3.264 6
2.7497 5
2.6104 7
2.8292 8
3.2277 7
2.9767 12
3.043 13
7 O 3.264 5
2.8537 5
2.6104 6
2.7861 8
3.0885 10
3.2277 6
8 O 3.264 4
2.8026 5
2.8292 6
2.7861 7
2.912 11
9 As 2.46 4
1.7148 10
1.6862 11
1.7059 12
1.6601 13
10 O 3.264 5
2.7116 11
2.8282 12
2.7357 13
3.0885 7
3.168 13
11 O 3.264 5
2.7116 10
2.5908 12
2.842 13
3.0503 13
2.912 8
12 O 3.264 6
2.8282 10
2.5908 11
2.8378 13
2.9767 6
3.0037 12
3.0167 13
13 O 3.264 8
2.7357 10
2.842 11
2.8378 12
3.043 6
3.0503 11
3.168 10
3.0167 12
3.1129 13
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 1 0 0 5.204 10.407 0.051 240.16 2 52.8 233.3
2 1 1 0 6.799 13.598 0.066 139.74 4 6.4 4.0
3 0 2 0 8.753 17.506 0.085 83.43 2 41.8 50.8
4 0 1 1 9.108 18.215 0.088 76.89 4 87.6 411.2
5 1 1 -1 9.812 19.625 0.095 65.94 4 3.4 0.5
6 1 2 0 10.204 20.408 0.099 60.82 4 38.5 62.9
7 2 0 0 10.451 20.902 0.101 57.88 2 41.0 33.8
8 1 1 1 11.168 22.337 0.108 50.41 4 37.0 48.0
9 2 1 0 11.344 22.688 0.11 48.8 4 80.9 222.5
10 0 2 1 11.886 23.773 0.115 44.26 4 98.6 299.8
11 1 2 -1 12.441 24.882 0.12 40.22 4 399.2 4463.4
12 2 1 -1 12.853 25.706 0.124 37.56 4 182.9 875.1
13 1 2 1 13.549 27.098 0.131 33.59 4 72.2 122.0
14 2 2 0 13.696 27.392 0.132 32.83 4 37.0 31.3
15 1 3 0 14.219 28.437 0.137 30.32 4 384.3 3117.7
16 2 1 1 14.936 29.872 0.144 27.29 4 15.2 4.4
17 2 2 -1 14.985 29.969 0.145 27.11 4 68.3 88.1
18 0 3 1 15.495 30.99 0.149 25.22 4 193.9 660.4
19 3 0 0 15.788 31.577 0.152 24.23 2 679.2 3891.0
20 1 3 -1 15.933 31.867 0.153 23.75 4 20.1 6.7
21 1 0 -2 16.091 32.181 0.155 23.25 2 467.1 1766.3
22 0 0 2 16.117 32.234 0.155 23.17 2 287.0 664.5
23 3 1 0 16.411 32.822 0.158 22.28 4 32.0 15.9
24 1 1 -2 16.703 33.406 0.161 21.45 4 530.6 4204.0
25 0 1 2 16.729 33.457 0.161 21.38 4 212.2 670.3
26 2 2 1 16.827 33.654 0.162 21.11 4 844.4 10479.4
27 1 3 1 16.83 33.661 0.162 21.1 4 242.6 864.5
28 2 3 0 16.951 33.903 0.163 20.77 4 257.9 961.8
29 3 1 -1 17.092 34.183 0.164 20.4 4 553.7 4355.8
30 0 4 0 17.719 35.439 0.17 18.86 2 818.0 4392.3
31 2 0 -2 17.758 35.515 0.17 18.77 2 381.3 949.8
32 1 0 2 17.831 35.661 0.171 18.6 2 449.4 1308.0
33 2 3 -1 18.03 36.06 0.173 18.15 4 42.7 23.1
34 3 2 0 18.165 36.33 0.174 17.86 4 83.3 86.4
35 2 1 -2 18.321 36.642 0.176 17.52 4 68.6 57.4
36 1 1 2 18.392 36.784 0.176 17.38 4 41.6 21.0
37 1 2 -2 18.432 36.865 0.177 17.29 4 43.3 22.5
38 0 2 2 18.456 36.912 0.177 17.24 4 160.5 309.5
39 1 4 0 18.517 37.033 0.178 17.12 4 137.9 226.6
40 3 2 -1 18.79 37.579 0.18 16.58 4 361.9 1511.8
41 3 1 1 19.534 39.067 0.187 15.21 4 261.6 724.9
42 0 4 1 19.543 39.086 0.187 15.2 4 90.3 86.3
43 2 3 1 19.62 39.24 0.188 15.06 4 17.4 3.2
44 1 4 -1 19.903 39.805 0.19 14.59 4 186.3 352.8
45 2 2 -2 19.929 39.857 0.191 14.55 4 129.1 168.9
46 1 2 2 19.995 39.99 0.191 14.44 4 53.6 28.9
47 1 4 1 20.649 41.299 0.197 13.44 4 145.9 199.3
48 2 4 0 20.751 41.502 0.198 13.3 4 6.8 0.4
49 3 0 -2 20.763 41.526 0.198 13.28 2 0.3 0.0
50 3 3 0 20.803 41.606 0.199 13.22 4 55.3 28.1
51 2 0 2 20.87 41.74 0.199 13.13 2 233.3 248.7
52 1 3 -2 21.042 42.084 0.201 12.89 4 287.1 739.8
53 3 2 1 21.063 42.126 0.201 12.86 4 122.2 133.6
54 0 3 2 21.063 42.127 0.201 12.86 4 419.8 1578.1
55 3 1 -2 21.259 42.517 0.203 12.6 4 34.8 10.6
56 4 0 0 21.271 42.542 0.203 12.58 2 99.9 43.7
57 3 3 -1 21.363 42.725 0.204 12.46 4 452.8 1778.6
58 2 1 2 21.363 42.727 0.204 12.46 4 293.1 745.5
59 2 4 -1 21.668 43.336 0.206 12.07 4 224.0 421.6
60 4 1 0 21.757 43.514 0.207 11.96 4 139.1 161.1
61 4 1 -1 21.95 43.899 0.209 11.72 4 0.8 0.0
62 2 3 -2 22.393 44.785 0.213 11.21 4 47.2 17.4
63 1 3 2 22.453 44.906 0.213 11.14 4 137.3 146.2
64 3 2 -2 22.693 45.385 0.216 10.88 4 122.7 114.1
65 2 2 2 22.792 45.584 0.217 10.77 4 101.4 77.1
66 1 5 0 23.023 46.046 0.219 10.53 4 83.9 51.6
67 2 4 1 23.048 46.096 0.219 10.5 4 137.9 139.1
68 4 2 0 23.167 46.333 0.22 10.38 4 54.3 21.3
69 4 2 -1 23.35 46.7 0.222 10.2 4 147.6 154.7
70 3 3 1 23.43 46.86 0.222 10.12 4 7.6 0.4
71 0 5 1 23.889 47.779 0.226 9.68 4 115.8 90.4
72 3 4 0 24.095 48.189 0.228 9.49 4 497.1 1633.9
73 1 5 -1 24.197 48.393 0.229 9.4 4 9.2 0.6
74 1 4 -2 24.308 48.616 0.23 9.31 4 253.8 417.4
75 0 4 2 24.327 48.654 0.23 9.29 4 240.7 374.8
76 3 4 -1 24.595 49.189 0.233 9.06 4 18.2 2.1
77 4 1 1 24.624 49.249 0.233 9.04 4 43.3 11.8
78 1 1 -3 24.706 49.413 0.234 8.97 4 36.1 8.1
79 4 0 -2 24.713 49.425 0.234 8.96 2 395.0 487.0
80 1 5 1 24.839 49.679 0.235 8.86 4 339.3 710.4
81 3 0 2 24.843 49.686 0.235 8.86 2 222.3 152.4
82 2 5 0 24.928 49.855 0.236 8.79 4 211.2 273.1
83 3 3 -2 24.938 49.876 0.236 8.78 4 370.0 836.8
84 2 3 2 25.031 50.061 0.237 8.71 4 102.2 63.3
85 0 1 3 25.043 50.086 0.237 8.7 4 42.5 10.9
86 4 1 -2 25.147 50.293 0.238 8.61 4 430.8 1113.3
87 3 1 2 25.275 50.551 0.239 8.52 4 115.6 79.3
88 4 3 0 25.38 50.76 0.24 8.44 4 313.2 576.1
89 2 4 -2 25.523 51.046 0.241 8.33 4 189.8 209.0
90 4 3 -1 25.551 51.103 0.241 8.31 4 92.4 49.4
91 1 4 2 25.578 51.155 0.241 8.29 4 318.1 584.0
92 2 1 -3 25.598 51.195 0.242 8.27 4 394.1 894.9
93 2 5 -1 25.727 51.455 0.243 8.18 4 448.9 1147.5
94 4 2 1 25.913 51.827 0.244 8.05 4 36.9 7.6
95 1 2 -3 25.992 51.985 0.245 7.99 4 106.1 62.6
96 0 2 3 26.317 52.634 0.248 7.77 4 289.5 453.1
97 4 2 -2 26.417 52.834 0.249 7.7 4 8.0 0.3
98 3 4 1 26.467 52.935 0.249 7.67 4 168.3 151.2
99 3 2 2 26.541 53.083 0.25 7.62 4 74.0 29.1
100 1 1 3 26.573 53.147 0.25 7.6 4 315.6 527.1
101 2 2 -3 26.853 53.706 0.252 7.42 4 259.1 346.7
102 2 5 1 26.948 53.897 0.253 7.36 4 38.8 7.7
103 5 0 0 26.967 53.934 0.253 7.35 2 355.3 323.0
104 0 6 0 27.164 54.327 0.255 7.23 2 32.3 2.6
105 5 1 -1 27.241 54.481 0.256 7.18 4 235.5 277.3
106 5 1 0 27.375 54.75 0.257 7.1 4 391.9 759.4
107 3 1 -3 27.631 55.261 0.259 6.95 4 39.6 7.6
108 1 6 0 27.74 55.479 0.26 6.89 4 69.2 23.0
109 1 2 3 27.798 55.596 0.261 6.86 4 225.9 243.7
110 3 4 -2 27.855 55.71 0.261 6.83 4 172.8 141.9
111 3 5 0 27.887 55.774 0.261 6.81 4 11.6 0.6
112 2 4 2 27.94 55.881 0.262 6.78 4 171.6 138.9
113 4 3 1 27.967 55.934 0.262 6.76 4 267.4 336.8
114 1 3 -3 28.042 56.084 0.263 6.72 4 174.6 142.7
115 1 5 -2 28.079 56.159 0.263 6.7 4 454.4 963.6
116 0 5 2 28.096 56.193 0.263 6.69 4 51.4 12.3
117 4 4 0 28.264 56.529 0.265 6.6 4 15.5 1.1
118 3 5 -1 28.339 56.677 0.265 6.56 4 287.8 378.6
119 0 3 3 28.351 56.701 0.265 6.56 4 114.4 59.7
120 4 4 -1 28.424 56.847 0.266 6.52 4 306.5 426.6
121 5 2 -1 28.445 56.891 0.266 6.51 4 114.1 59.0
122 4 3 -2 28.446 56.892 0.266 6.51 4 223.4 226.2
123 0 6 1 28.5 57.001 0.267 6.48 4 86.9 34.1
124 3 3 2 28.564 57.128 0.267 6.45 4 203.6 186.1
125 5 2 0 28.576 57.153 0.267 6.44 4 6.6 0.2
126 1 6 -1 28.772 57.544 0.269 6.34 4 157.7 109.8
127 3 2 -3 28.825 57.65 0.27 6.32 4 261.7 301.3
128 2 3 -3 28.861 57.721 0.27 6.3 4 394.2 681.5
129 2 1 3 29.166 58.332 0.272 6.15 4 303.8 395.2
130 2 5 -2 29.183 58.366 0.273 6.14 4 205.1 179.8
131 1 5 2 29.233 58.466 0.273 6.12 4 156.3 104.1
132 1 6 1 29.344 58.688 0.274 6.07 4 194.3 159.5
133 5 0 -2 29.357 58.713 0.274 6.06 2 14.6 0.5
134 2 6 0 29.423 58.845 0.275 6.03 4 16.4 1.1
135 4 0 2 29.506 59.011 0.275 5.99 2 620.1 802.4
136 5 1 -2 29.743 59.486 0.277 5.89 4 70.2 20.2
137 1 3 3 29.763 59.527 0.277 5.88 4 396.2 642.4
138 4 1 2 29.891 59.782 0.279 5.82 4 31.3 4.0
139 3 5 1 30.049 60.098 0.28 5.75 4 481.1 927.0
140 5 1 1 30.124 60.248 0.281 5.72 4 35.4 5.0
141 2 6 -1 30.14 60.28 0.281 5.71 4 156.5 97.4
142 2 2 3 30.321 60.642 0.282 5.64 4 282.0 312.3
143 5 3 -1 30.384 60.768 0.283 5.61 4 31.8 3.9
144 5 3 0 30.51 61.02 0.284 5.56 4 173.3 116.4
145 4 1 -3 30.654 61.309 0.285 5.5 4 277.0 294.0
146 4 4 1 30.687 61.374 0.285 5.49 4 80.3 24.6
147 3 3 -3 30.749 61.497 0.286 5.46 4 21.4 1.7
148 1 4 -3 30.758 61.516 0.286 5.46 4 109.7 45.8
149 5 2 -2 30.885 61.77 0.287 5.41 4 140.0 73.9
150 4 2 2 31.03 62.06 0.288 5.36 4 115.9 50.1
151 0 4 3 31.049 62.098 0.288 5.35 4 265.7 262.9
152 4 4 -2 31.139 62.279 0.289 5.31 4 219.9 178.9
153 2 6 1 31.246 62.492 0.29 5.27 4 447.9 736.7
154 3 4 2 31.251 62.502 0.29 5.27 4 196.4 141.6
155 5 2 1 31.258 62.516 0.29 5.27 4 658.9 1593.4
156 3 5 -2 31.333 62.666 0.291 5.24 4 27.2 2.7
157 2 5 2 31.413 62.825 0.291 5.21 4 211.6 162.5
158 2 4 -3 31.532 63.065 0.292 5.17 4 110.7 44.1
159 4 5 0 31.715 63.429 0.294 5.1 4 14.6 0.8
160 4 2 -3 31.777 63.554 0.294 5.08 4 190.7 128.8
161 4 5 -1 31.863 63.726 0.295 5.05 4 14.6 0.7
162 3 6 0 32.104 64.209 0.297 4.97 4 57.6 11.5
163 2 3 3 32.191 64.382 0.298 4.94 4 62.9 13.6
164 1 6 -2 32.281 64.563 0.299 4.91 4 76.6 20.1
165 0 6 2 32.297 64.594 0.299 4.91 4 267.3 244.1
166 1 4 3 32.39 64.781 0.299 4.88 4 25.7 2.2
167 3 6 -1 32.52 65.04 0.301 4.83 4 187.9 118.8
168 3 1 3 32.667 65.335 0.302 4.79 4 14.4 0.7
169 1 7 0 32.703 65.406 0.302 4.78 4 511.7 870.7
170 5 3 -2 32.737 65.474 0.302 4.77 4 61.9 12.7
171 4 3 2 32.877 65.754 0.303 4.72 4 142.4 66.7
172 6 1 -1 32.945 65.891 0.304 4.7 4 434.9 619.3
173 6 0 0 32.968 65.936 0.304 4.69 2 76.0 9.4
174 5 4 -1 32.983 65.965 0.304 4.69 4 305.5 304.8
175 5 3 1 33.098 66.196 0.305 4.66 4 92.7 27.9
176 5 4 0 33.103 66.206 0.305 4.65 4 263.5 224.9
177 1 0 -4 33.182 66.363 0.306 4.63 2 358.8 207.6
178 2 6 -2 33.301 66.602 0.307 4.6 4 201.8 130.3
179 6 1 0 33.33 66.661 0.307 4.59 4 24.1 1.9
180 3 4 -3 33.331 66.662 0.307 4.59 4 332.6 353.2
181 1 6 2 33.347 66.694 0.307 4.58 4 103.6 34.2
182 0 7 1 33.395 66.79 0.308 4.57 4 63.1 12.7
183 1 1 -4 33.543 67.085 0.309 4.53 4 27.8 2.4
184 4 3 -3 33.602 67.203 0.309 4.51 4 241.0 182.4
185 1 7 -1 33.643 67.287 0.31 4.5 4 90.1 25.4
186 2 0 -4 33.663 67.327 0.31 4.49 2 120.9 22.9
187 0 0 4 33.725 67.45 0.31 4.47 2 390.5 237.5
188 3 2 3 33.753 67.506 0.311 4.47 4 550.1 941.2
189 4 5 1 33.991 67.983 0.313 4.4 4 218.1 145.8
190 2 1 -4 34.022 68.044 0.313 4.39 4 199.7 122.0
191 6 2 -1 34.027 68.053 0.313 4.39 4 313.2 299.9
192 1 5 -3 34.059 68.117 0.313 4.38 4 291.0 258.5
193 0 1 4 34.083 68.166 0.313 4.38 4 430.8 565.6
194 3 6 1 34.107 68.214 0.313 4.37 4 300.5 274.9
195 1 7 1 34.168 68.335 0.314 4.35 4 81.4 20.1
196 2 7 0 34.24 68.48 0.315 4.34 4 343.3 355.7
197 0 5 3 34.335 68.67 0.315 4.31 4 22.8 1.6
198 6 2 0 34.406 68.811 0.316 4.29 4 145.0 62.8
199 4 5 -2 34.42 68.841 0.316 4.29 4 274.2 224.6
200 3 5 2 34.527 69.053 0.317 4.26 4 181.0 97.2
201 5 1 -3 34.528 69.056 0.317 4.26 4 356.8 377.6
202 6 0 -2 34.594 69.188 0.317 4.24 2 264.4 103.3
203 1 2 -4 34.615 69.23 0.318 4.24 4 231.2 157.8
204 2 4 3 34.716 69.432 0.318 4.21 4 58.9 10.2
205 5 0 2 34.761 69.521 0.319 4.2 2 32.2 1.5
206 2 5 -3 34.794 69.588 0.319 4.19 4 163.8 78.4
207 2 7 -1 34.902 69.804 0.32 4.17 4 106.8 33.1
208 6 1 -2 34.948 69.896 0.32 4.16 4 216.5 135.7
209 2 2 -4 35.087 70.174 0.321 4.12 4 87.4 21.9
210 5 1 2 35.114 70.228 0.322 4.12 4 34.5 3.4
211 0 2 4 35.147 70.295 0.322 4.11 4 124.0 44.0
212 3 0 -4 35.15 70.299 0.322 4.11 2 349.0 174.3
213 5 4 -2 35.242 70.485 0.323 4.09 4 130.6 48.6
214 1 0 4 35.27 70.54 0.323 4.08 2 96.7 13.3
215 3 6 -2 35.311 70.621 0.323 4.07 4 204.7 118.9
216 4 4 2 35.378 70.755 0.324 4.06 4 391.6 433.1
217 2 6 2 35.386 70.772 0.324 4.05 4 48.3 6.6
218 3 1 -4 35.501 71.002 0.325 4.03 4 371.8 387.8
219 3 3 3 35.527 71.053 0.325 4.02 4 125.1 43.8
220 5 2 -3 35.586 71.173 0.325 4.01 4 236.2 155.8
221 5 4 1 35.591 71.182 0.325 4.01 4 8.1 0.2
222 1 5 3 35.612 71.224 0.325 4.0 4 141.6 55.9
223 1 1 4 35.621 71.242 0.326 4.0 4 215.2 129.1
224 4 6 0 35.67 71.341 0.326 3.99 4 161.7 72.6
225 6 3 -1 35.794 71.588 0.327 3.96 4 472.5 616.3
226 4 6 -1 35.811 71.621 0.327 3.96 4 98.2 26.6
227 2 7 1 35.93 71.859 0.328 3.93 4 71.2 13.9
228 6 2 -2 36.001 72.002 0.329 3.92 4 88.0 21.1
229 6 1 1 36.067 72.133 0.329 3.91 4 274.5 204.9
230 4 4 -3 36.079 72.157 0.329 3.9 4 195.1 103.5
231 5 2 2 36.165 72.329 0.33 3.88 4 91.8 22.8
232 6 3 0 36.165 72.329 0.33 3.88 4 63.9 11.1
233 5 5 -1 36.179 72.358 0.33 3.88 4 415.2 466.0
234 5 5 0 36.294 72.588 0.331 3.86 4 319.6 274.4
235 1 3 -4 36.369 72.739 0.331 3.84 4 30.4 2.5
236 3 5 -3 36.513 73.026 0.333 3.81 4 11.1 0.3
237 3 2 -4 36.547 73.094 0.333 3.81 4 59.9 9.5
238 1 2 4 36.666 73.331 0.334 3.78 4 83.5 18.4
239 3 7 0 36.733 73.467 0.334 3.77 4 92.8 22.6
240 2 3 -4 36.832 73.664 0.335 3.75 4 42.7 4.8
241 0 3 4 36.891 73.782 0.336 3.74 4 381.7 379.5
242 1 7 -2 36.9 73.799 0.336 3.74 4 165.8 71.6
243 0 7 2 36.915 73.829 0.336 3.74 4 628.9 1029.1
244 4 1 3 36.967 73.934 0.336 3.73 4 134.8 47.1
245 6 2 1 37.106 74.213 0.337 3.7 4 36.8 3.5
246 3 7 -1 37.125 74.249 0.337 3.7 4 198.1 101.0
247 5 3 -3 37.322 74.644 0.339 3.66 4 324.6 268.6
248 0 8 0 37.496 74.992 0.34 3.63 2 249.3 78.5
249 4 0 -4 37.588 75.176 0.341 3.61 2 217.5 59.5
250 6 3 -2 37.729 75.458 0.342 3.59 4 27.0 1.8
251 2 0 4 37.764 75.528 0.342 3.58 2 126.7 20.0
252 4 6 1 37.835 75.67 0.343 3.57 4 133.2 44.1
253 2 5 3 37.847 75.694 0.343 3.57 4 543.9 735.1
254 2 7 -2 37.862 75.724 0.343 3.57 4 96.9 23.3
255 5 3 2 37.89 75.78 0.343 3.56 4 216.3 116.0
256 1 6 -3 37.899 75.798 0.343 3.56 4 138.0 47.2
257 1 7 2 37.906 75.812 0.343 3.56 4 125.2 38.8
258 4 1 -4 37.931 75.862 0.344 3.56 4 24.1 1.4
259 3 4 3 37.949 75.899 0.344 3.55 4 48.6 5.8
260 1 8 0 37.983 75.966 0.344 3.55 4 307.5 233.5
261 4 2 3 37.998 75.995 0.344 3.54 4 306.2 231.4
262 2 1 4 38.106 76.212 0.345 3.53 4 58.1 8.3
263 0 6 3 38.164 76.327 0.345 3.52 4 24.4 1.5
264 6 4 -1 38.21 76.42 0.346 3.51 4 49.7 6.0
265 4 6 -2 38.246 76.491 0.346 3.5 4 81.8 16.3
266 3 3 -4 38.266 76.532 0.346 3.5 4 317.7 246.1
267 3 6 2 38.348 76.695 0.347 3.49 4 186.2 84.2
268 5 5 -2 38.356 76.712 0.347 3.49 4 34.9 3.0
269 1 3 4 38.383 76.765 0.347 3.48 4 19.0 0.9
270 4 5 2 38.487 76.974 0.348 3.47 4 70.0 11.8
271 6 4 0 38.572 77.145 0.349 3.45 4 19.9 1.0
272 2 6 -3 38.604 77.208 0.349 3.45 4 112.7 30.5
273 3 7 1 38.627 77.255 0.349 3.44 4 17.7 0.8
274 0 8 1 38.633 77.267 0.349 3.44 4 50.8 6.2
275 5 5 1 38.694 77.388 0.349 3.43 4 12.3 0.4
276 1 4 -4 38.772 77.545 0.35 3.42 4 380.2 344.5
277 6 3 1 38.816 77.633 0.35 3.42 4 31.9 2.4
278 1 8 -1 38.867 77.735 0.351 3.41 4 108.2 27.8
279 4 2 -4 38.953 77.905 0.351 3.4 4 169.7 68.1
280 2 2 4 39.126 78.253 0.353 3.37 4 153.2 55.1
281 7 1 -1 39.141 78.282 0.353 3.37 4 155.4 56.7
282 4 5 -3 39.167 78.335 0.353 3.37 4 80.6 15.2
283 6 1 -3 39.176 78.352 0.353 3.36 4 23.2 1.3
284 2 4 -4 39.225 78.451 0.353 3.36 4 121.5 34.5
285 0 4 4 39.283 78.566 0.354 3.35 4 244.1 139.0
286 1 8 1 39.363 78.727 0.355 3.34 4 43.4 4.4
287 1 6 3 39.392 78.784 0.355 3.33 4 19.4 0.9
288 7 0 0 39.41 78.82 0.355 3.33 2 102.3 12.1
289 2 8 0 39.432 78.864 0.355 3.33 4 132.5 40.7
290 4 3 3 39.695 79.391 0.357 3.29 4 220.2 111.2
291 5 4 -3 39.705 79.411 0.357 3.29 4 172.5 68.2
292 7 1 0 39.748 79.496 0.357 3.29 4 89.4 18.3
293 3 7 -2 39.778 79.556 0.358 3.28 4 499.8 571.1
294 2 7 2 39.85 79.7 0.358 3.27 4 84.9 16.4
295 5 6 -1 39.94 79.88 0.359 3.26 4 146.1 48.5
296 5 6 0 40.052 80.103 0.36 3.25 4 22.6 1.2
297 2 8 -1 40.061 80.122 0.36 3.25 4 308.0 214.5
298 6 4 -2 40.105 80.21 0.36 3.24 4 174.0 68.3
299 4 7 0 40.123 80.246 0.36 3.24 4 461.2 479.8
300 7 2 -1 40.154 80.308 0.36 3.24 4 10.8 0.3
301 6 2 -3 40.188 80.377 0.361 3.23 4 415.0 387.6
302 4 7 -1 40.258 80.516 0.361 3.22 4 228.9 117.6
303 5 4 2 40.263 80.526 0.361 3.22 4 93.7 19.7
304 3 6 -3 40.264 80.528 0.361 3.22 4 425.5 406.2
305 7 0 -2 40.444 80.887 0.363 3.2 2 246.7 67.8
306 6 0 2 40.63 81.26 0.364 3.18 2 73.1 5.9
307 3 4 -4 40.633 81.266 0.364 3.18 4 276.1 168.8
308 4 3 -4 40.639 81.278 0.364 3.18 4 18.3 0.7
309 1 4 4 40.748 81.495 0.365 3.17 4 142.0 44.5
310 7 2 0 40.757 81.514 0.365 3.16 4 172.7 65.8
311 7 1 -2 40.779 81.558 0.365 3.16 4 197.3 85.7
312 2 3 4 40.811 81.622 0.365 3.16 4 31.4 2.2
313 5 0 -4 40.928 81.855 0.366 3.15 2 173.4 32.9
314 6 1 2 40.965 81.931 0.366 3.14 4 272.2 162.1
315 3 5 3 40.993 81.985 0.367 3.14 4 91.3 18.2
316 2 8 1 41.044 82.087 0.367 3.13 4 47.7 5.0
317 3 0 4 41.157 82.313 0.368 3.12 2 124.6 16.9
318 6 4 1 41.175 82.35 0.368 3.12 4 140.5 42.9
319 6 5 -1 41.248 82.497 0.369 3.11 4 224.1 108.8
320 5 1 -4 41.262 82.525 0.369 3.11 4 291.9 184.5
321 3 1 4 41.491 82.982 0.37 3.09 4 309.4 205.8
322 2 6 3 41.562 83.123 0.371 3.08 4 279.9 168.0
323 6 5 0 41.604 83.207 0.371 3.08 4 43.2 4.0
324 7 2 -2 41.783 83.566 0.372 3.06 4 64.7 8.9
325 1 5 -4 41.8 83.6 0.373 3.06 4 76.6 12.5
326 3 8 0 41.817 83.634 0.373 3.06 4 97.2 20.1
327 7 3 -1 41.829 83.658 0.373 3.05 4 93.2 18.5
328 6 3 -3 41.863 83.727 0.373 3.05 4 38.4 3.1
329 6 2 2 41.968 83.936 0.374 3.04 4 46.0 4.5
330 1 8 -2 41.977 83.955 0.374 3.04 4 50.3 5.4
331 0 8 2 41.992 83.983 0.374 3.04 4 209.0 92.4
332 5 1 3 42.036 84.073 0.374 3.03 4 153.3 49.6
333 4 4 3 42.042 84.085 0.374 3.03 4 19.2 0.8
334 5 6 -2 42.059 84.118 0.374 3.03 4 273.4 157.9
335 4 6 2 42.187 84.374 0.375 3.02 4 108.0 24.5
336 3 8 -1 42.195 84.389 0.375 3.02 4 44.7 4.2
337 4 7 1 42.217 84.434 0.376 3.02 4 166.8 58.5
338 2 5 -4 42.246 84.491 0.376 3.02 4 111.7 26.2
339 5 2 -4 42.264 84.528 0.376 3.01 4 56.6 6.7
340 1 7 -3 42.28 84.559 0.376 3.01 4 9.8 0.2
341 0 5 4 42.302 84.605 0.376 3.01 4 229.6 110.6
342 5 6 1 42.39 84.78 0.377 3.0 4 347.2 252.2
343 7 3 0 42.428 84.855 0.377 3.0 4 219.3 100.5
344 3 2 4 42.492 84.983 0.378 2.99 4 96.9 19.6
345 0 7 3 42.538 85.075 0.378 2.99 4 108.1 24.4
346 7 1 1 42.577 85.155 0.378 2.99 4 147.2 45.1
347 4 7 -2 42.618 85.235 0.378 2.98 4 41.7 3.6
348 3 7 2 42.717 85.434 0.379 2.98 4 359.1 267.3
349 5 5 -3 42.719 85.437 0.379 2.98 4 166.3 57.3
350 4 6 -3 42.854 85.709 0.38 2.97 4 153.4 48.6
351 2 8 -2 42.91 85.819 0.381 2.96 4 100.1 20.6
352 1 8 2 42.952 85.904 0.381 2.96 4 1.9 0.0
353 2 7 -3 42.968 85.935 0.381 2.96 4 79.2 12.9
354 4 4 -4 42.976 85.953 0.381 2.96 4 303.3 189.3
355 5 2 3 43.035 86.071 0.381 2.95 4 193.1 76.6
356 6 5 -2 43.113 86.226 0.382 2.95 4 196.3 79.1
357 2 4 4 43.147 86.294 0.382 2.94 4 6.2 0.1
358 5 5 2 43.269 86.538 0.383 2.93 4 84.3 14.5
359 7 3 -2 43.447 86.895 0.384 2.92 4 105.7 22.7
360 1 1 -5 43.537 87.074 0.385 2.91 4 255.2 132.2
361 7 2 1 43.575 87.15 0.385 2.91 4 271.0 148.9
362 6 3 2 43.632 87.264 0.386 2.91 4 55.2 6.2
363 3 5 -4 43.635 87.27 0.386 2.91 4 264.8 142.0
364 3 8 1 43.655 87.31 0.386 2.91 4 61.0 7.5
365 1 9 0 43.692 87.383 0.386 2.9 4 77.7 12.2
366 2 1 -5 43.737 87.475 0.386 2.9 4 94.0 17.9
367 1 7 3 43.74 87.479 0.386 2.9 4 253.7 130.0
368 1 5 4 43.748 87.497 0.387 2.9 4 56.1 6.4
369 5 3 -4 43.927 87.853 0.388 2.89 4 147.7 43.9
370 3 3 4 44.153 88.307 0.389 2.87 4 247.5 122.7
371 7 4 -1 44.158 88.315 0.389 2.87 4 262.2 137.6
372 6 5 1 44.172 88.343 0.39 2.87 4 489.5 479.4
373 6 4 -3 44.191 88.383 0.39 2.87 4 334.6 224.0
374 5 7 -1 44.279 88.557 0.39 2.87 4 129.6 33.6
375 0 1 5 44.28 88.56 0.39 2.87 4 13.8 0.4
376 0 9 1 44.325 88.649 0.391 2.86 4 189.4 71.6
377 5 7 0 44.388 88.777 0.391 2.86 4 2.3 0.0
378 1 2 -5 44.533 89.065 0.392 2.85 4 235.9 110.5
379 1 9 -1 44.553 89.106 0.392 2.85 4 21.6 0.9
380 3 7 -3 44.598 89.195 0.392 2.85 4 34.4 2.3
381 7 1 -3 44.615 89.229 0.393 2.85 4 335.0 222.6
382 3 6 3 44.655 89.309 0.393 2.85 4 223.5 99.0
383 5 3 3 44.695 89.391 0.393 2.84 4 73.0 10.6
384 2 2 -5 44.733 89.466 0.393 2.84 4 75.2 11.2
385 7 4 0 44.753 89.506 0.394 2.84 4 2.9 0.0
386 3 8 -2 44.782 89.565 0.394 2.84 4 217.9 93.9
387 2 8 2 44.853 89.706 0.394 2.84 4 40.4 3.2
388 3 1 -5 44.881 89.761 0.394 2.83 4 274.4 148.6
389 6 6 -1 44.908 89.816 0.395 2.83 4 227.5 102.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 0 5.204 10.407 9.86225 233.3 2.1 2.1 5.6
2 0 1 1 9.108 18.215 5.65083 411.2 3.6 3.7 5.6
3 2 1 0 11.344 22.688 4.54726 222.5 2.0 2.0 5.6
4 0 2 1 11.886 23.773 4.34267 299.8 2.6 2.7 5.6
5 1 2 -1 12.441 24.882 4.15185 4463.4 39.3 39.6 5.6
6 2 1 -1 12.853 25.706 4.02091 875.1 7.7 7.8 5.6
7 1 2 1 13.549 27.098 3.81796 122.0 1.1 1.1 5.6
8 1 3 0 14.219 28.437 3.64159 3117.7 27.5 27.6 5.6
9 0 3 1 15.495 30.99 3.34811 660.4 5.8 5.8 5.6
10 3 0 0 15.788 31.577 3.28742 3891.0 34.3 34.4 5.6
11 1 0 -2 16.091 32.181 3.22728 2430.9 21.4 21.5 5.6
12 1 1 -2 16.703 33.406 3.11213 4874.3 43.0 43.0 5.7
13 2 2 1 16.827 33.654 3.08988 11343.9 100.0 100.0 5.7
14 2 3 0 16.951 33.903 3.06783 961.8 8.5 8.5 5.7
15 3 1 -1 17.092 34.183 3.04343 4355.8 38.4 38.4 5.7
16 0 4 0 17.719 35.439 2.93887 4392.3 38.7 38.7 5.7
17 2 0 -2 17.758 35.515 2.93274 949.8 8.4 8.4 5.7
18 1 0 2 17.831 35.661 2.92111 1308.0 11.5 11.5 5.7
19 0 2 2 18.456 36.912 2.82541 332.0 2.9 2.9 5.7
20 1 4 0 18.517 37.033 2.81648 226.6 2.0 2.0 5.7
21 3 2 -1 18.79 37.579 2.77701 1511.8 13.3 13.3 5.7
22 3 1 1 19.534 39.067 2.67515 811.3 7.2 7.1 5.7
23 1 4 -1 19.903 39.805 2.62751 521.7 4.6 4.6 5.7
24 1 4 1 20.649 41.299 2.53642 199.3 1.8 1.7 5.7
25 2 0 2 20.87 41.74 2.51079 248.7 2.2 2.2 5.7
26 0 3 2 21.063 42.127 2.48876 2451.6 21.6 21.4 5.7
27 3 3 -1 21.363 42.725 2.45549 2524.1 22.3 22.1 5.7
28 2 4 -1 21.668 43.336 2.42253 421.6 3.7 3.7 5.7
29 4 1 0 21.757 43.514 2.41306 161.1 1.4 1.4 5.7
30 1 3 2 22.453 44.906 2.34198 146.2 1.3 1.3 5.7
31 3 2 -2 22.693 45.385 2.31852 114.1 1.0 1.0 5.7
32 2 4 1 23.048 46.096 2.28469 190.7 1.7 1.7 5.7
33 4 2 -1 23.35 46.7 2.25678 154.7 1.4 1.3 5.7
34 3 4 0 24.095 48.189 2.191 1633.9 14.4 14.2 5.7
35 1 4 -2 24.308 48.616 2.17292 792.2 7.0 6.9 5.7
36 4 0 -2 24.713 49.425 2.1395 495.1 4.4 4.3 5.7
37 1 5 1 24.839 49.679 2.12928 862.8 7.6 7.5 5.7
38 3 3 -2 24.938 49.876 2.12138 1109.9 9.8 9.6 5.7
39 4 1 -2 25.147 50.293 2.10493 1113.3 9.8 9.6 5.8
40 4 3 0 25.38 50.76 2.08683 576.1 5.1 5.0 5.8
41 2 4 -2 25.523 51.046 2.07593 258.3 2.3 2.2 5.8
42 2 1 -3 25.598 51.195 2.07028 1478.9 13.0 12.8 5.8
43 2 5 -1 25.727 51.455 2.06055 1147.5 10.1 9.9 5.8
44 0 2 3 26.317 52.634 2.01755 453.1 4.0 3.9 5.8
45 3 4 1 26.467 52.935 2.00692 151.2 1.3 1.3 5.8
46 1 1 3 26.573 53.147 1.99949 527.1 4.6 4.6 5.8
47 2 2 -3 26.853 53.706 1.98021 346.7 3.1 3.0 5.8
48 5 0 0 26.967 53.934 1.97245 330.7 2.9 2.9 5.8
49 5 1 -1 27.241 54.481 1.95413 277.3 2.4 2.4 5.8
50 5 1 0 27.375 54.75 1.94526 759.4 6.7 6.5 5.8
51 1 2 3 27.798 55.596 1.91799 243.7 2.1 2.1 5.8
52 3 4 -2 27.855 55.71 1.91438 141.9 1.3 1.2 5.8
53 4 3 1 27.967 55.934 1.90731 475.7 4.2 4.1 5.8
54 1 3 -3 28.042 56.084 1.90262 142.7 1.3 1.2 5.8
55 1 5 -2 28.079 56.159 1.9003 975.9 8.6 8.4 5.8
56 3 5 -1 28.339 56.677 1.88433 438.3 3.9 3.8 5.8
57 4 4 -1 28.424 56.847 1.87918 711.8 6.3 6.1 5.8
58 3 3 2 28.564 57.128 1.87071 186.3 1.6 1.6 5.8
59 3 2 -3 28.825 57.65 1.85521 301.3 2.7 2.6 5.8
60 2 3 -3 28.861 57.721 1.85311 681.5 6.0 5.8 5.8
61 2 1 3 29.166 58.332 1.83538 575.1 5.1 4.9 5.8
62 1 6 1 29.344 58.688 1.82524 159.9 1.4 1.4 5.8
63 4 0 2 29.506 59.011 1.81613 802.4 7.1 6.9 5.8
64 1 3 3 29.763 59.527 1.80182 662.6 5.8 5.7 5.8
65 3 5 1 30.049 60.098 1.78627 927.0 8.2 7.9 5.8
66 2 2 3 30.321 60.642 1.77174 312.3 2.8 2.7 5.8
67 5 3 0 30.51 61.02 1.76183 116.4 1.0 1.0 5.8
68 4 1 -3 30.654 61.309 1.75434 294.0 2.6 2.5 5.8
69 0 4 3 31.049 62.098 1.73421 313.0 2.8 2.7 5.8
70 4 4 -2 31.139 62.279 1.72969 178.9 1.6 1.5 5.8
71 5 2 1 31.258 62.516 1.72379 2471.7 21.8 21.1 5.8
72 2 5 2 31.413 62.825 1.71616 162.5 1.4 1.4 5.9
73 4 2 -3 31.777 63.554 1.69851 128.8 1.1 1.1 5.9
74 0 6 2 32.297 64.594 1.67406 264.2 2.3 2.2 5.9
75 3 6 -1 32.52 65.04 1.66382 118.8 1.0 1.0 5.9
76 1 7 0 32.703 65.406 1.65553 870.7 7.7 7.4 5.9
77 6 1 -1 32.945 65.891 1.64472 628.7 5.5 5.3 5.9
78 5 4 -1 32.983 65.965 1.64306 304.8 2.7 2.6 5.9
79 5 4 0 33.103 66.206 1.63777 252.8 2.2 2.1 5.9
80 1 0 -4 33.182 66.363 1.63433 207.6 1.8 1.8 5.9
81 2 6 -2 33.301 66.602 1.62915 130.3 1.1 1.1 5.9
82 1 6 2 33.347 66.694 1.62714 389.3 3.4 3.3 5.9
83 4 3 -3 33.602 67.203 1.61625 182.4 1.6 1.5 5.9
84 3 2 3 33.753 67.506 1.60985 1178.7 10.4 10.0 5.9
85 4 5 1 33.991 67.983 1.59991 145.8 1.3 1.2 5.9
86 6 2 -1 34.027 68.053 1.59845 421.9 3.7 3.6 5.9
87 0 1 4 34.083 68.166 1.59613 1099.0 9.7 9.3 5.9
88 2 7 0 34.24 68.48 1.5897 355.7 3.1 3.0 5.9
89 4 5 -2 34.42 68.841 1.58239 287.4 2.5 2.4 5.9
90 5 1 -3 34.528 69.056 1.57806 474.8 4.2 4.0 5.9
91 1 2 -4 34.615 69.23 1.57459 261.1 2.3 2.2 5.9
92 6 1 -2 34.948 69.896 1.56147 135.7 1.2 1.1 5.9
93 3 0 -4 35.15 70.299 1.55366 218.3 1.9 1.8 5.9
94 3 6 -2 35.311 70.621 1.54748 118.9 1.0 1.0 5.9
95 4 4 2 35.378 70.755 1.54494 439.7 3.9 3.7 5.9
96 3 1 -4 35.501 71.002 1.54026 431.6 3.8 3.6 5.9
97 5 2 -3 35.586 71.173 1.53705 211.9 1.9 1.8 5.9
98 1 1 4 35.621 71.242 1.53577 129.1 1.1 1.1 5.9
99 6 3 -1 35.794 71.588 1.52933 642.9 5.7 5.4 5.9
100 6 1 1 36.067 72.133 1.51932 308.4 2.7 2.6 5.9
101 5 5 -1 36.179 72.358 1.51525 499.8 4.4 4.2 5.9
102 5 5 0 36.294 72.588 1.5111 274.4 2.4 2.3 6.0
103 0 7 2 36.915 73.829 1.48922 1480.2 13.0 12.4 6.0
104 5 3 -3 37.322 74.644 1.47529 268.6 2.4 2.2 6.0
105 2 5 3 37.847 75.694 1.45783 802.6 7.1 6.7 6.0
106 5 3 2 37.89 75.78 1.45643 202.1 1.8 1.7 6.0
107 1 8 0 37.983 75.966 1.45339 464.8 4.1 3.9 6.0
108 3 3 -4 38.266 76.532 1.44427 262.4 2.3 2.2 6.0
109 1 4 -4 38.772 77.545 1.42833 344.5 3.0 2.9 6.0
110 7 1 -1 39.141 78.282 1.417 128.3 1.1 1.1 6.0
111 0 4 4 39.283 78.566 1.41271 139.0 1.2 1.1 6.0
112 4 3 3 39.695 79.391 1.40043 179.4 1.6 1.5 6.0
113 3 7 -2 39.778 79.556 1.398 589.4 5.2 4.9 6.0
114 2 8 -1 40.061 80.122 1.38977 215.7 1.9 1.8 6.0
115 4 7 0 40.123 80.246 1.38798 548.1 4.8 4.5 6.0
116 6 2 -3 40.188 80.377 1.38611 387.6 3.4 3.2 6.0
117 3 6 -3 40.264 80.528 1.38395 543.6 4.8 4.5 6.1
118 3 4 -4 40.633 81.266 1.37353 175.5 1.5 1.4 6.1
119 7 2 0 40.757 81.514 1.37008 196.0 1.7 1.6 6.1
120 6 1 2 40.965 81.931 1.36434 180.4 1.6 1.5 6.1
121 5 1 -4 41.262 82.525 1.35625 293.3 2.6 2.4 6.1
122 3 1 4 41.491 82.982 1.35012 205.8 1.8 1.7 6.1
123 2 6 3 41.562 83.123 1.34824 168.0 1.5 1.4 6.1
124 5 6 -2 42.059 84.118 1.33522 208.3 1.8 1.7 6.1
125 4 7 1 42.217 84.434 1.33116 120.2 1.1 1.0 6.1
126 5 6 1 42.39 84.78 1.32675 252.2 2.2 2.1 6.1
127 3 7 2 42.717 85.434 1.31853 324.6 2.9 2.6 6.1
128 4 4 -4 42.976 85.953 1.31211 202.2 1.8 1.6 6.1
129 1 1 -5 43.537 87.074 1.29854 132.2 1.2 1.1 6.1
130 7 2 1 43.575 87.15 1.29763 148.9 1.3 1.2 6.2
131 3 8 1 43.655 87.31 1.29573 155.7 1.4 1.3 6.2
132 1 7 3 43.74 87.479 1.29372 154.2 1.4 1.2 6.2
133 6 5 1 44.172 88.343 1.28365 963.7 8.5 7.8 6.2
134 7 1 -3 44.615 89.229 1.27355 225.0 2.0 1.8 6.2
135 3 1 -5 44.881 89.761 1.2676 253.9 2.2 2.0 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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