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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SCAWTITE
2
Ca(7)Si(6)O(18)CO(3).2H(2)O
Monoclinic I m Z = 2
R =0.018 NR =2890
28 .8 .1907
Ref.Str.:
J.D. Grice (2005)
* Canad. Mineral., 43, 1489-1500
Reserv:
There are U(ij) in the article. Crystals of scawtite from the type
locality in Scawt Hill, Ireland. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.631 alpha = 90.0
b = 15.195 beta = 100.59
c = 10.121 gamma = 90.0
Unit cell volume (cub. angs.) = 1002.4
Molar volume ( cub.cm/mol.) = 301.89
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2066 0.1445 0.2192 0.0 Ca = 1.00
2 0.8076 0.8644 0.7953 0.0 Ca = 1.00
3 0.4998 0.2509 0.0017 0.0 Ca = 1.00
4 0.4787 0.0 0.9955 0.0 Ca = 1.00
5 0.7066 0.104 0.274 0.0 Si = 1.00
6 0.2944 0.1042 0.7275 0.0 Si = 1.00
7 0.9999 0.3234 0.0038 0.0 Si = 1.00
8 0.0032 0.0 0.9935 0.0 C = 1.00
9 0.9013 0.3953 0.0939 0.0 O = 1.00
10 0.5857 0.1087 0.4012 0.0 O = 1.00
11 0.1865 0.2725 0.0951 0.0 O = 1.00
12 0.8196 0.7348 0.9178 0.0 O = 1.00
13 0.5344 0.8768 0.143 0.0 O = 1.00
14 0.4714 0.8729 0.8538 0.0 O = 1.00
15 0.5917 0.6614 0.2004 0.0 O = 1.00
16 0.91 0.8383 0.3031 0.0 O = 1.00
17 0.23 0.0 0.7481 0.0 O = 1.00
18 0.7794 0.0 0.266 0.0 O = 1.00
19 0.2015 0.0 0.3356 0.0 O = 1.00
20 0.7931 0.0 0.6479 0.0 O = 1.00
21 0.0937 0.0725 0.0162 0.0 O = 1.00
22 0.3187 0.5 0.4332 0.0 O = 1.00
23 0.061 0.0 0.333 0.0 H = 1.00
24 0.17 0.0 0.424 0.0 H = 1.00
25 0.719 0.0 0.563 0.0 H = 1.00
26 0.923 0.0 0.633 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2066 0.1445 0.2192
2 2 0.8076 0.8644 0.7953
3 3 0.4998 0.2509 0.0017
4 4 0.4787 0.0 0.9955
5 5 0.7066 0.104 0.274
6 6 0.2944 0.1042 0.7275
7 7 0.9999 0.3234 0.0038
8 8 0.0032 0.0 0.9935
9 9 0.9013 0.3953 0.0939
10 10 0.5857 0.1087 0.4012
11 11 0.1865 0.2725 0.0951
12 12 0.8196 0.7348 0.9178
13 13 0.5344 0.8768 0.143
14 14 0.4714 0.8729 0.8538
15 15 0.5917 0.6614 0.2004
16 16 0.91 0.8383 0.3031
17 17 0.23 0.0 0.7481
18 18 0.7794 0.0 0.266
19 19 0.2015 0.0 0.3356
20 20 0.7931 0.0 0.6479
21 21 0.0937 0.0725 0.0162
22 22 0.3187 0.5 0.4332
23 23 0.061 0.0 0.333
24 24 0.17 0.0 0.424
25 25 0.719 0.0 0.563
26 26 0.923 0.0 0.633
27 1 0.2066 0.8555 0.2192
28 2 0.8076 0.1356 0.7953
29 3 0.4998 0.7491 0.0017
30 5 0.7066 0.896 0.274
31 6 0.2944 0.8958 0.7275
32 7 0.0 0.6766 0.0038
33 9 0.9013 0.6047 0.0939
34 10 0.5857 0.8913 0.4012
35 11 0.1865 0.7275 0.0951
36 12 0.8196 0.2652 0.9178
37 13 0.5344 0.1232 0.143
38 14 0.4714 0.1271 0.8538
39 15 0.5917 0.3386 0.2004
40 16 0.91 0.1617 0.3031
41 21 0.0937 0.9275 0.0162
42 1 0.7066 0.6445 0.7192
43 2 0.3076 0.3644 0.2953
44 3 0.9998 0.7509 0.5017
45 4 0.9787 0.5 0.4955
46 5 0.2066 0.604 0.774
47 6 0.7944 0.6042 0.2275
48 7 0.4999 0.8234 0.5038
49 8 0.5032 0.5 0.4935
50 9 0.4013 0.8953 0.5939
51 10 0.0857 0.6087 0.9012
52 11 0.6865 0.7725 0.5951
53 12 0.3196 0.2348 0.4178
54 13 0.0344 0.3768 0.643
55 14 0.9714 0.3729 0.3538
56 15 0.0917 0.1614 0.7004
57 16 0.41 0.3383 0.8031
58 17 0.73 0.5 0.2481
59 18 0.2794 0.5 0.766
60 19 0.7015 0.5 0.8356
61 20 0.2931 0.5 0.1479
62 21 0.5937 0.5725 0.5162
63 22 0.8187 0.0 0.9332
64 23 0.561 0.5 0.833
65 24 0.67 0.5 0.924
66 25 0.219 0.5 0.063
67 26 0.423 0.5 0.133
68 1 0.7066 0.3555 0.7192
69 2 0.3076 0.6356 0.2953
70 3 0.9998 0.2491 0.5017
71 5 0.2066 0.396 0.774
72 6 0.7944 0.3958 0.2275
73 7 0.5 0.1766 0.5038
74 9 0.4013 0.1047 0.5939
75 10 0.0857 0.3913 0.9012
76 11 0.6865 0.2275 0.5951
77 12 0.3196 0.7652 0.4178
78 13 0.0344 0.6232 0.643
79 14 0.9714 0.6271 0.3538
80 15 0.0917 0.8386 0.7004
81 16 0.41 0.6617 0.8031
82 21 0.5937 0.4275 0.5162
X-ray density (g/cm cub.) = 2.76
MU (1/cm) = 198.562 Mass attenuation coefficient (cm**2/g) = 71.962
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 6
2.3057 11
2.495 19
2.3264 21
2.4573 13
2.2964 16
2.4357 12
2 Ca 2.88 7
2.3199 12
2.4129 14
2.536 20
2.8211 21
2.47 11
2.4827 22
2.3 15
3 Ca 2.88 6
2.4574 11
2.4346 12
2.3965 13
2.3896 14
2.3963 15
2.3911 16
4 Ca 2.88 8
2.3806 13
2.4007 14
2.7333 17
2.8234 21
2.3806 13
2.4007 14
2.8234 21
2.4501 22
5 Si 2.1 4
1.6387 10
1.6587 18
1.6095 13
1.5898 16
6 Si 2.1 4
1.6628 17
1.6063 14
1.5819 15
1.6382 9
7 Si 2.1 4
1.6349 9
1.6008 11
1.6083 12
1.6378 10
8 C 1.872 3
1.2553 21
1.2553 21
1.2628 22
9 O 3.264 9
2.6552 11
3.1818 9
2.6501 12
2.6329 15
2.608 14
2.6284 17
3.1381 19
3.0096 20
2.4858 10
10 O 3.264 8
2.6261 18
3.0063 19
3.097 20
2.582 13
2.654 16
2.631 12
2.4858 9
2.6598 11
11 O 3.264 6
2.6552 9
3.1735 21
2.7471 12
3.2082 13
2.883 15
2.6598 10
12 O 3.264 5
3.0991 14
2.6501 9
2.7471 11
2.631 10
2.9664 16
13 O 3.264 6
2.8803 14
2.7726 16
2.6363 18
2.582 10
3.2082 11
3.0662 21
14 O 3.264 7
3.0991 12
2.8803 13
2.6091 17
2.608 9
2.9998 22
2.754 15
3.2636 16
15 O 3.264 5
2.6329 9
2.883 11
2.6317 17
3.1354 20
2.754 14
16 O 3.264 6
2.7726 13
2.6093 18
3.1061 19
2.654 10
2.9664 12
3.2636 14
17 O 3.264 9
2.6091 14
2.8882 20
3.2085 21
2.6091 14
3.2085 21
2.6284 9
2.6317 15
2.6284 9
2.6317 15
18 O 3.264 7
2.6261 10
2.6363 13
2.6093 16
2.7578 19
2.6261 10
2.6363 13
2.6093 16
19 O 3.264 7
3.0063 10
3.1061 16
2.7578 18
3.0063 10
3.1061 16
3.1381 9
3.1381 9
20 O 3.264 8
3.097 10
2.8882 17
3.097 10
3.0096 9
3.1354 15
2.8612 22
3.0096 9
3.1354 15
21 O 3.264 5
3.1735 11
3.2085 17
3.0662 13
2.2033 21
2.1637 22
22 O 3.264 5
2.9998 14
2.8612 20
2.1637 21
2.9998 14
2.1637 21
23 H 1.632 1
0.9272 19
24 H 1.632 1
0.9554 19
25 H 1.632 1
0.9081 20
26 H 1.632 1
0.9014 20
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 1 1 5.31 10.62 0.06 230.54 4 24.7 56.1
2 0 2 0 5.819 11.638 0.066 191.6 2 29.5 33.2
3 1 1 0 7.388 14.776 0.083 118.0 4 52.7 130.5
4 1 0 -1 7.402 14.804 0.084 117.55 2 13.7 4.4
5 1 0 1 8.785 17.569 0.099 82.82 2 10.6 1.8
6 0 0 2 8.908 17.816 0.101 80.47 2 71.3 81.5
7 1 2 -1 9.436 18.871 0.106 71.49 4 39.0 43.3
8 0 3 1 9.826 19.652 0.111 65.76 4 96.8 245.2
9 1 2 1 10.563 21.125 0.119 56.61 4 86.0 166.8
10 1 1 -2 10.592 21.184 0.119 56.29 4 13.5 4.1
11 0 2 2 10.666 21.333 0.12 55.48 4 65.7 95.3
12 1 3 0 11.104 22.209 0.125 51.02 4 40.3 33.1
13 0 4 0 11.699 23.398 0.132 45.76 2 126.5 145.7
14 1 1 2 12.553 25.107 0.141 39.47 4 117.0 214.9
15 1 3 -2 13.481 26.962 0.151 33.95 4 5.5 0.4
16 2 0 0 13.671 27.343 0.153 32.96 2 20.3 2.7
17 0 1 3 13.753 27.507 0.154 32.54 4 56.8 41.8
18 2 1 -1 13.899 27.798 0.156 31.82 4 136.1 234.8
19 1 4 -1 13.901 27.801 0.156 31.82 4 69.2 60.7
20 1 0 -3 13.915 27.829 0.156 31.75 2 86.5 47.3
21 1 4 1 14.705 29.411 0.165 28.22 4 116.2 151.7
22 0 4 2 14.782 29.564 0.166 27.91 4 272.3 823.7
23 2 2 0 14.903 29.806 0.167 27.43 4 69.1 52.2
24 2 0 -2 14.931 29.863 0.167 27.31 2 355.3 686.2
25 1 3 2 15.093 30.186 0.169 26.69 4 148.6 234.8
26 1 2 -3 15.128 30.256 0.169 26.56 4 49.3 25.7
27 0 5 1 15.369 30.737 0.172 25.67 4 25.6 6.7
28 2 1 1 15.471 30.941 0.173 25.31 4 63.6 40.8
29 2 2 -2 16.075 32.149 0.18 23.3 4 61.5 35.1
30 0 3 3 16.119 32.238 0.18 23.17 4 157.0 227.4
31 1 0 3 16.218 32.437 0.181 22.86 2 43.8 8.7
32 1 5 0 16.24 32.48 0.182 22.79 4 40.1 14.6
33 2 3 -1 16.245 32.49 0.182 22.78 4 50.3 22.9
34 1 2 3 17.285 34.571 0.193 19.91 4 15.1 1.8
35 2 3 1 17.628 35.256 0.197 19.07 4 123.9 116.6
36 2 1 -3 17.677 35.355 0.197 18.95 4 10.1 0.8
37 0 6 0 17.708 35.415 0.197 18.88 2 43.5 7.1
38 2 0 2 17.785 35.569 0.198 18.7 2 229.6 196.3
39 1 5 -2 17.997 35.994 0.201 18.22 4 171.0 212.1
40 0 0 4 18.041 36.083 0.201 18.13 2 202.9 148.5
41 2 4 0 18.145 36.289 0.202 17.9 4 83.2 49.3
42 1 4 -3 18.334 36.668 0.204 17.5 4 10.5 0.8
43 1 1 -4 18.339 36.678 0.204 17.49 4 46.6 15.1
44 2 2 2 18.774 37.547 0.209 16.61 4 61.3 24.9
45 0 2 4 19.019 38.037 0.212 16.14 4 14.0 1.3
46 2 4 -2 19.14 38.28 0.213 15.91 4 36.7 8.5
47 1 5 2 19.27 38.54 0.214 15.68 4 29.4 5.4
48 1 6 -1 19.288 38.576 0.214 15.64 4 95.2 56.4
49 2 3 -3 19.621 39.243 0.218 15.06 4 67.3 27.1
50 1 6 1 19.898 39.796 0.221 14.6 4 64.4 24.1
51 0 6 2 19.957 39.913 0.222 14.51 4 86.8 43.5
52 0 5 3 20.108 40.217 0.223 14.26 4 56.5 18.1
53 1 4 3 20.191 40.381 0.224 14.13 4 203.2 232.2
54 2 5 -1 20.213 40.426 0.224 14.1 4 98.1 54.0
55 1 3 -4 20.229 40.458 0.224 14.07 4 85.9 41.3
56 3 0 -1 20.408 40.816 0.226 13.8 2 221.7 135.0
57 2 0 -4 20.694 41.388 0.229 13.38 2 57.3 8.7
58 1 1 4 20.783 41.566 0.23 13.25 4 96.9 49.5
59 3 1 0 20.986 41.971 0.232 12.97 4 107.0 59.1
60 3 2 -1 21.294 42.587 0.236 12.55 4 96.3 46.3
61 0 7 1 21.297 42.594 0.236 12.55 4 67.7 22.9
62 3 1 -2 21.309 42.619 0.236 12.53 4 19.3 1.9
63 2 1 3 21.352 42.704 0.236 12.47 4 31.3 4.9
64 2 5 1 21.374 42.748 0.237 12.44 4 116.4 67.1
65 2 4 2 21.507 43.015 0.238 12.27 4 37.9 7.0
66 2 2 -4 21.57 43.139 0.239 12.19 4 52.0 13.1
67 0 4 4 21.727 43.453 0.24 12.0 4 30.2 4.3
68 1 7 0 21.963 43.926 0.243 11.71 4 18.0 1.5
69 3 0 1 22.119 44.238 0.244 11.52 2 51.6 6.1
70 1 3 4 22.501 45.003 0.248 11.09 4 165.7 121.2
71 1 0 -5 22.546 45.093 0.249 11.04 2 77.1 13.1
72 2 6 0 22.656 45.312 0.25 10.92 4 23.3 2.4
73 3 3 0 22.692 45.383 0.25 10.88 4 59.2 15.2
74 3 0 -3 22.736 45.473 0.251 10.83 2 24.7 1.3
75 1 6 -3 22.814 45.628 0.252 10.75 4 30.6 4.0
76 3 2 1 22.951 45.902 0.253 10.6 4 28.1 3.3
77 0 1 5 22.982 45.963 0.253 10.57 4 50.4 10.7
78 3 3 -2 22.996 45.992 0.254 10.55 4 31.2 4.1
79 2 3 3 23.036 46.072 0.254 10.51 4 31.6 4.2
80 2 5 -3 23.096 46.192 0.255 10.45 4 41.3 7.1
81 1 7 -2 23.354 46.707 0.257 10.19 4 31.5 4.0
82 1 2 -5 23.366 46.733 0.257 10.18 4 24.1 2.3
83 2 6 -2 23.492 46.984 0.259 10.06 4 57.4 13.2
84 3 2 -3 23.551 47.102 0.259 10.0 4 61.2 14.9
85 1 5 -4 23.631 47.262 0.26 9.92 4 48.7 9.4
86 3 4 -1 23.789 47.579 0.262 9.77 4 17.2 1.2
87 0 8 0 23.925 47.85 0.263 9.65 2 267.1 137.0
88 2 4 -4 24.043 48.086 0.264 9.54 4 310.6 366.3
89 1 6 3 24.39 48.779 0.268 9.24 4 144.0 76.2
90 1 7 2 24.395 48.79 0.268 9.23 4 134.4 66.3
91 3 1 2 24.534 49.068 0.27 9.11 4 58.7 12.5
92 0 3 5 24.578 49.156 0.27 9.08 4 27.7 2.8
93 2 1 -5 24.704 49.409 0.271 8.97 4 37.8 5.1
94 2 0 4 25.006 50.012 0.274 8.73 2 47.3 3.9
95 0 7 3 25.095 50.189 0.275 8.66 4 44.2 6.7
96 1 0 5 25.153 50.305 0.276 8.61 2 37.2 2.4
97 2 7 -1 25.182 50.365 0.276 8.59 4 61.2 12.8
98 1 8 -1 25.183 50.367 0.276 8.59 4 69.1 16.3
99 3 4 1 25.319 50.638 0.278 8.48 4 121.1 49.6
100 3 1 -4 25.388 50.775 0.278 8.43 4 45.2 6.9
101 2 6 2 25.534 51.069 0.28 8.32 4 36.3 4.4
102 1 5 4 25.665 51.329 0.281 8.22 4 117.3 45.0
103 1 8 1 25.68 51.36 0.281 8.21 4 141.1 65.1
104 1 4 -5 25.706 51.411 0.282 8.19 4 108.9 38.7
105 0 6 4 25.727 51.454 0.282 8.18 4 35.4 4.1
106 0 8 2 25.728 51.456 0.282 8.18 4 69.6 15.8
107 2 2 4 25.766 51.532 0.282 8.15 4 84.5 23.2
108 3 5 0 25.837 51.674 0.283 8.1 4 63.4 13.0
109 3 4 -3 25.878 51.756 0.283 8.07 4 192.9 119.5
110 1 2 5 25.91 51.819 0.284 8.05 4 87.7 24.6
111 3 3 2 26.059 52.117 0.285 7.94 4 45.4 6.5
112 3 5 -2 26.114 52.227 0.286 7.91 4 16.2 0.8
113 2 5 3 26.15 52.3 0.286 7.88 4 21.3 1.4
114 2 7 1 26.169 52.339 0.286 7.87 4 64.8 13.2
115 2 3 -5 26.222 52.444 0.287 7.83 4 117.8 43.3
116 3 3 -4 26.877 53.755 0.293 7.4 4 8.1 0.2
117 3 0 3 27.269 54.537 0.297 7.16 2 100.9 14.5
118 1 1 -6 27.427 54.854 0.299 7.07 4 116.2 38.0
119 3 6 -1 27.563 55.125 0.3 6.99 4 13.0 0.5
120 0 5 5 27.563 55.126 0.3 6.99 4 27.9 2.2
121 0 9 1 27.565 55.131 0.3 6.99 4 27.9 2.2
122 2 7 -3 27.664 55.327 0.301 6.93 4 57.7 9.2
123 0 0 6 27.681 55.363 0.302 6.92 2 36.2 1.8
124 2 6 -4 27.791 55.582 0.303 6.86 4 52.5 7.5
125 4 1 -1 27.873 55.745 0.303 6.82 4 71.5 13.9
126 2 4 4 27.958 55.917 0.304 6.77 4 92.2 22.9
127 3 2 3 27.985 55.971 0.305 6.75 4 38.0 3.9
128 2 8 0 27.995 55.99 0.305 6.75 4 66.8 12.0
129 4 0 -2 28.008 56.017 0.305 6.74 2 4.3 0.0
130 1 4 5 28.094 56.188 0.306 6.69 4 85.4 19.4
131 1 9 0 28.118 56.237 0.306 6.68 4 94.3 23.7
132 1 8 -3 28.131 56.261 0.306 6.67 4 93.1 23.0
133 1 7 -4 28.134 56.268 0.306 6.67 4 51.8 7.1
134 4 0 0 28.21 56.42 0.307 6.63 2 149.7 29.6
135 3 0 -5 28.324 56.648 0.308 6.57 2 41.8 2.3
136 0 2 6 28.391 56.783 0.309 6.54 4 32.7 2.8
137 4 2 -2 28.713 57.426 0.312 6.37 4 39.1 3.9
138 2 8 -2 28.716 57.433 0.312 6.37 4 136.8 47.5
139 2 0 -6 28.748 57.495 0.312 6.35 2 274.1 95.0
140 1 3 -6 28.843 57.687 0.313 6.31 4 95.4 22.8
141 4 2 0 28.911 57.823 0.314 6.27 4 23.5 1.4
142 3 5 2 28.936 57.872 0.314 6.26 4 23.5 1.4
143 3 6 1 28.949 57.898 0.314 6.26 4 155.4 60.1
144 3 2 -5 29.024 58.048 0.315 6.22 4 33.6 2.8
145 2 5 -5 29.088 58.176 0.316 6.19 4 75.3 14.0
146 4 3 -1 29.275 58.55 0.317 6.1 4 114.2 31.6
147 1 9 -2 29.292 58.583 0.318 6.09 4 26.0 1.6
148 1 6 -5 29.302 58.605 0.318 6.09 4 70.7 12.1
149 4 1 -3 29.308 58.616 0.318 6.08 4 84.3 17.2
150 2 2 -6 29.441 58.882 0.319 6.02 4 54.1 7.0
151 3 6 -3 29.46 58.921 0.319 6.01 4 126.8 38.5
152 2 1 5 29.463 58.927 0.319 6.01 4 19.6 0.9
153 1 8 3 29.5 58.999 0.32 6.0 4 105.7 26.7
154 4 1 1 29.699 59.398 0.322 5.91 4 114.0 30.5
155 3 5 -4 29.701 59.402 0.322 5.9 4 166.5 65.2
156 1 7 4 29.951 59.901 0.324 5.79 4 47.9 5.3
157 3 4 3 30.068 60.136 0.325 5.74 4 163.1 60.9
158 3 7 0 30.106 60.213 0.326 5.73 4 166.1 62.9
159 1 1 6 30.167 60.334 0.326 5.7 4 121.5 33.5
160 1 9 2 30.186 60.373 0.326 5.69 4 44.8 4.6
161 3 7 -2 30.357 60.713 0.328 5.62 4 30.4 2.1
162 2 7 3 30.39 60.779 0.328 5.61 4 41.8 3.9
163 0 4 6 30.456 60.913 0.329 5.58 4 73.9 12.1
164 0 10 0 30.46 60.919 0.329 5.58 2 8.0 0.1
165 2 8 2 30.511 61.022 0.33 5.56 4 108.0 25.8
166 4 3 -3 30.669 61.337 0.331 5.5 4 29.1 1.8
167 0 8 4 30.682 61.364 0.331 5.49 4 44.7 4.4
168 4 4 -2 30.764 61.529 0.332 5.46 4 89.0 17.2
169 0 9 3 30.795 61.589 0.332 5.45 4 58.6 7.4
170 2 3 5 30.82 61.639 0.333 5.44 4 153.1 50.8
171 2 9 -1 30.871 61.743 0.333 5.42 4 157.3 53.4
172 3 1 4 30.953 61.905 0.334 5.39 4 66.3 9.4
173 4 4 0 30.955 61.909 0.334 5.38 4 41.3 3.7
174 4 0 -4 31.019 62.038 0.335 5.36 2 93.8 9.4
175 4 3 1 31.049 62.099 0.335 5.35 4 68.4 10.0
176 3 4 -5 31.063 62.125 0.335 5.34 4 31.3 2.1
177 2 6 4 31.384 62.767 0.338 5.22 4 66.2 9.1
178 2 4 -6 31.463 62.926 0.339 5.19 4 7.3 0.1
179 1 3 6 31.505 63.01 0.339 5.18 4 104.1 22.3
180 1 6 5 31.51 63.02 0.339 5.18 4 27.1 1.5
181 1 10 -1 31.537 63.073 0.34 5.17 4 79.9 13.1
182 1 5 -6 31.554 63.108 0.34 5.16 4 107.0 23.5
183 4 0 2 31.585 63.171 0.34 5.15 2 53.7 3.0
184 0 7 5 31.679 63.357 0.341 5.12 4 44.2 4.0
185 4 2 -4 31.682 63.363 0.341 5.12 4 34.2 2.4
186 2 9 1 31.739 63.479 0.341 5.1 4 11.2 0.3
187 4 5 -1 31.963 63.926 0.344 5.02 4 36.9 2.7
188 1 10 1 31.967 63.935 0.344 5.02 4 170.4 58.0
189 0 10 2 32.009 64.018 0.344 5.0 4 7.3 0.1
190 3 1 -6 32.173 64.346 0.346 4.95 4 115.7 26.4
191 1 0 -7 32.213 64.427 0.346 4.93 2 44.6 2.0
192 4 2 2 32.242 64.483 0.346 4.92 4 102.5 20.6
193 3 3 4 32.272 64.544 0.347 4.91 4 75.9 11.3
194 3 8 -1 32.334 64.667 0.347 4.89 4 158.8 49.1
195 2 8 -4 32.541 65.082 0.349 4.83 4 54.8 5.8
196 1 2 -7 32.863 65.726 0.352 4.73 4 60.9 7.0
197 3 7 2 32.946 65.892 0.353 4.7 4 79.0 11.7
198 0 1 7 32.98 65.96 0.353 4.69 4 43.7 3.6
199 2 9 -3 33.073 66.145 0.354 4.66 4 35.4 2.3
200 2 7 -5 33.087 66.174 0.354 4.66 4 39.7 2.9
201 4 5 -3 33.292 66.583 0.356 4.6 4 77.4 11.0
202 3 6 3 33.362 66.725 0.357 4.58 4 27.9 1.4
203 2 5 5 33.436 66.872 0.358 4.56 4 4.8 0.0
204 3 3 -6 33.466 66.933 0.358 4.55 4 64.1 7.4
205 1 9 -4 33.497 66.993 0.358 4.54 4 15.6 0.4
206 2 1 -7 33.528 67.057 0.359 4.53 4 38.3 2.6
207 3 8 1 33.6 67.2 0.359 4.51 4 103.8 19.3
208 4 4 -4 33.627 67.254 0.359 4.5 4 15.5 0.4
209 4 5 1 33.656 67.312 0.36 4.49 4 73.2 9.6
210 3 7 -4 33.658 67.315 0.36 4.49 4 27.9 1.4
211 0 6 6 33.729 67.458 0.36 4.47 4 59.3 6.3
212 4 1 -5 33.748 67.496 0.361 4.47 4 54.1 5.2
213 1 8 -5 33.925 67.85 0.362 4.42 4 100.4 17.7
214 2 0 6 33.959 67.918 0.363 4.41 2 121.6 13.0
215 2 10 0 34.009 68.018 0.363 4.4 4 36.3 2.3
216 4 6 -2 34.021 68.042 0.363 4.39 4 45.6 3.6
217 3 8 -3 34.071 68.141 0.364 4.38 4 73.4 9.4
218 1 5 6 34.093 68.186 0.364 4.37 4 13.1 0.3
219 1 10 -3 34.13 68.261 0.364 4.36 4 114.8 22.9
220 4 4 2 34.17 68.34 0.365 4.35 4 95.4 15.8
221 4 6 0 34.202 68.403 0.365 4.35 4 36.2 2.3
222 0 3 7 34.258 68.515 0.365 4.33 4 52.4 4.7
223 0 11 1 34.262 68.523 0.365 4.33 4 27.4 1.3
224 3 6 -5 34.304 68.608 0.366 4.32 4 22.1 0.8
225 4 1 3 34.47 68.94 0.367 4.28 4 112.4 21.5
226 2 2 6 34.592 69.183 0.369 4.24 4 37.3 2.3
227 2 10 -2 34.656 69.313 0.369 4.23 4 56.3 5.3
228 2 6 -6 34.685 69.369 0.369 4.22 4 57.0 5.5
229 1 11 0 34.751 69.502 0.37 4.21 4 48.9 4.0
230 1 4 -7 34.774 69.547 0.37 4.2 4 59.1 5.8
231 2 3 -7 34.796 69.592 0.37 4.19 4 35.3 2.1
232 3 0 5 34.818 69.636 0.371 4.19 2 124.8 13.0
233 3 5 4 34.83 69.661 0.371 4.19 4 12.6 0.3
234 4 3 -5 35.012 70.024 0.372 4.14 4 92.8 14.2
235 1 0 7 35.138 70.275 0.374 4.11 2 141.2 16.3
236 1 9 4 35.152 70.304 0.374 4.11 4 32.1 1.7
237 3 9 0 35.295 70.591 0.375 4.08 4 53.0 4.6
238 1 10 3 35.365 70.73 0.376 4.06 4 73.9 8.8
239 1 7 -6 35.397 70.794 0.376 4.05 4 34.6 1.9
240 3 2 5 35.444 70.887 0.376 4.04 4 43.1 3.0
241 3 9 -2 35.526 71.052 0.377 4.02 4 29.6 1.4
242 2 9 3 35.556 71.113 0.377 4.02 4 10.2 0.2
243 5 0 -1 35.567 71.134 0.378 4.01 2 73.9 4.4
244 4 3 3 35.722 71.445 0.379 3.98 4 210.7 70.3
245 1 2 7 35.761 71.522 0.379 3.97 4 50.7 4.1
246 4 7 -1 35.784 71.568 0.38 3.97 4 49.6 3.9
247 5 1 -2 35.793 71.586 0.38 3.96 4 41.1 2.7
248 1 11 -2 35.799 71.598 0.38 3.96 4 20.9 0.7
249 2 8 4 35.859 71.718 0.38 3.95 4 38.1 2.3
250 1 8 5 35.977 71.955 0.381 3.92 4 66.5 6.9
251 3 5 -6 35.983 71.966 0.381 3.92 4 38.9 2.4
252 5 2 -1 36.187 72.374 0.383 3.88 4 38.7 2.3
253 3 0 -7 36.2 72.399 0.383 3.88 2 58.9 2.7
254 2 10 2 36.288 72.575 0.384 3.86 4 76.7 9.0
255 5 1 0 36.374 72.748 0.385 3.84 4 27.7 1.2
256 5 0 -3 36.43 72.86 0.385 3.83 2 110.6 9.3
257 0 10 4 36.445 72.89 0.386 3.83 4 20.4 0.6
258 2 4 6 36.46 72.92 0.386 3.82 4 64.7 6.4
259 1 11 2 36.608 73.216 0.387 3.8 4 23.1 0.8
260 0 5 7 36.75 73.499 0.388 3.77 4 57.7 5.0
261 0 9 5 36.752 73.503 0.388 3.77 4 60.5 5.5
262 4 6 -4 36.755 73.509 0.388 3.77 4 52.7 4.2
263 4 0 -6 36.783 73.566 0.389 3.76 2 62.7 2.9
264 3 2 -7 36.815 73.631 0.389 3.75 4 18.8 0.5
265 5 3 -2 37.026 74.052 0.391 3.72 4 35.7 1.9
266 5 2 -3 37.044 74.089 0.391 3.71 4 54.9 4.5
267 4 7 -3 37.047 74.093 0.391 3.71 4 27.1 1.1
268 0 11 3 37.162 74.323 0.392 3.69 4 104.4 16.0
269 2 7 5 37.185 74.369 0.392 3.69 4 50.8 3.8
270 2 11 -1 37.232 74.464 0.393 3.68 4 19.5 0.6
271 2 5 -7 37.273 74.546 0.393 3.67 4 44.3 2.9
272 4 6 2 37.278 74.555 0.393 3.67 4 14.2 0.3
273 3 4 5 37.294 74.588 0.393 3.67 4 53.8 4.2
274 4 7 1 37.395 74.789 0.394 3.65 4 121.3 21.4
275 4 2 -6 37.395 74.791 0.394 3.65 4 37.3 2.0
276 0 12 0 37.468 74.936 0.395 3.63 2 93.2 6.3
277 4 5 -5 37.483 74.966 0.395 3.63 4 110.3 17.6
278 5 0 1 37.581 75.161 0.396 3.61 2 53.7 2.1
279 5 3 0 37.6 75.199 0.396 3.61 4 24.6 0.9
280 1 4 7 37.605 75.211 0.396 3.61 4 18.4 0.5
281 4 0 4 37.653 75.307 0.397 3.6 2 154.6 17.1
282 1 1 -8 37.66 75.321 0.397 3.6 4 168.4 40.7
283 3 8 3 37.724 75.449 0.397 3.59 4 12.1 0.2
284 1 7 6 37.813 75.626 0.398 3.58 4 129.9 24.0
285 1 6 -7 37.861 75.721 0.398 3.57 4 55.0 4.3
286 3 9 2 37.939 75.877 0.399 3.55 4 15.5 0.3
287 3 10 -1 37.973 75.945 0.399 3.55 4 123.2 21.4
288 5 4 -1 38.023 76.047 0.4 3.54 4 29.6 1.2
289 2 11 1 38.029 76.058 0.4 3.54 4 7.2 0.1
290 2 9 -5 38.072 76.143 0.4 3.53 4 91.5 11.8
291 0 8 6 38.073 76.146 0.4 3.53 4 39.0 2.1
292 5 1 -4 38.078 76.156 0.4 3.53 4 59.7 5.0
293 2 10 -4 38.166 76.332 0.401 3.52 4 10.3 0.1
294 4 5 3 38.175 76.35 0.401 3.52 4 95.9 12.9
295 5 2 1 38.188 76.377 0.401 3.51 4 23.4 0.8
296 4 2 4 38.261 76.521 0.402 3.5 4 28.5 1.1
297 0 0 8 38.273 76.546 0.402 3.5 2 93.0 6.0
298 4 8 -2 38.351 76.702 0.403 3.49 4 38.4 2.0
299 2 0 -8 38.394 76.787 0.403 3.48 2 88.2 5.4
300 1 12 -1 38.448 76.897 0.404 3.47 4 57.0 4.5
301 3 7 4 38.521 77.042 0.404 3.46 4 43.2 2.6
302 4 8 0 38.523 77.046 0.404 3.46 4 95.1 12.4
303 3 9 -4 38.61 77.221 0.405 3.45 4 108.1 16.0
304 3 8 -5 38.621 77.241 0.405 3.45 4 89.8 11.1
305 3 4 -7 38.641 77.282 0.405 3.44 4 108.2 16.0
306 1 12 1 38.843 77.687 0.407 3.41 4 16.4 0.4
307 5 4 -3 38.866 77.733 0.407 3.41 4 30.3 1.2
308 1 3 -8 38.872 77.743 0.407 3.41 4 122.2 20.3
309 0 2 8 38.877 77.754 0.407 3.41 4 6.2 0.1
310 0 12 2 38.882 77.764 0.407 3.41 4 96.3 12.6
311 2 8 -6 38.985 77.969 0.408 3.39 4 95.4 12.3
312 2 2 -8 38.997 77.994 0.408 3.39 4 15.9 0.3
313 3 10 1 39.159 78.317 0.41 3.37 4 46.6 2.9
314 2 1 7 39.188 78.376 0.41 3.36 4 59.6 4.7
315 4 4 -6 39.212 78.424 0.41 3.36 4 75.2 7.6
316 2 11 -3 39.265 78.531 0.411 3.35 4 12.8 0.2
317 5 3 -4 39.285 78.571 0.411 3.35 4 16.1 0.3
318 5 5 -2 39.45 78.899 0.412 3.33 4 70.3 6.5
319 1 10 -5 39.465 78.93 0.413 3.32 4 71.0 6.7
320 2 6 6 39.497 78.994 0.413 3.32 4 69.8 6.4
321 3 1 6 39.501 79.002 0.413 3.32 4 37.8 1.9
322 3 10 -3 39.603 79.205 0.414 3.31 4 100.4 13.3
323 3 7 -6 39.634 79.267 0.414 3.3 4 28.6 1.1
324 1 11 -4 39.662 79.324 0.414 3.3 4 13.9 0.3
325 5 1 2 39.776 79.551 0.415 3.28 4 18.0 0.4
326 5 4 1 39.994 79.987 0.417 3.26 4 67.5 5.9
327 5 5 0 40.012 80.024 0.417 3.25 4 15.5 0.3
328 4 4 4 40.065 80.13 0.418 3.25 4 64.8 5.4
329 5 0 -5 40.102 80.204 0.418 3.24 2 95.2 5.8
330 1 9 -6 40.266 80.532 0.42 3.22 4 58.2 4.3
331 3 6 5 40.311 80.621 0.42 3.22 4 56.7 4.1
332 0 7 7 40.377 80.754 0.421 3.21 4 70.8 6.4
333 2 3 7 40.386 80.772 0.421 3.21 4 30.0 1.1
334 1 6 7 40.615 81.23 0.423 3.18 4 75.0 7.1
335 4 9 -1 40.637 81.274 0.423 3.18 4 52.2 3.4
336 0 4 8 40.674 81.348 0.423 3.17 4 50.4 3.2
337 3 3 6 40.696 81.392 0.423 3.17 4 20.9 0.6
338 5 2 -5 40.699 81.398 0.423 3.17 4 16.9 0.4
339 4 1 -7 40.721 81.442 0.423 3.17 4 4.4 0.0
340 2 12 0 40.739 81.479 0.424 3.17 4 68.3 5.9
341 2 4 -8 40.793 81.586 0.424 3.16 4 12.4 0.2
342 1 1 8 40.809 81.617 0.424 3.16 4 64.0 5.2
343 1 12 -3 40.853 81.706 0.425 3.15 4 35.9 1.6
344 2 7 -7 40.886 81.772 0.425 3.15 4 107.4 14.5
345 5 3 2 40.969 81.938 0.426 3.14 4 36.3 1.6
346 4 8 -4 40.977 81.955 0.426 3.14 4 61.0 4.6
347 5 6 -1 41.024 82.048 0.426 3.14 4 72.3 6.5
348 3 1 -8 41.046 82.092 0.426 3.13 4 34.0 1.4
349 4 7 -5 41.09 82.181 0.427 3.13 4 33.7 1.4
350 1 11 4 41.223 82.447 0.428 3.11 4 136.9 23.2
351 1 5 -8 41.263 82.527 0.428 3.11 4 49.1 3.0
352 2 10 4 41.303 82.607 0.428 3.11 4 91.7 10.4
353 2 12 -2 41.348 82.696 0.429 3.1 4 72.0 6.4
354 3 11 0 41.36 82.719 0.429 3.1 4 23.5 0.7
355 1 10 5 41.417 82.834 0.429 3.09 4 101.4 12.7
356 4 8 2 41.485 82.969 0.43 3.09 4 24.8 0.8
357 0 13 1 41.571 83.141 0.431 3.08 4 33.1 1.3
358 3 11 -2 41.579 83.158 0.431 3.08 4 96.7 11.5
359 2 11 3 41.608 83.216 0.431 3.08 4 95.2 11.1
360 3 6 -7 41.63 83.26 0.431 3.07 4 16.4 0.3
361 5 5 -4 41.672 83.343 0.432 3.07 4 21.6 0.6
362 4 1 5 41.736 83.472 0.432 3.06 4 29.8 1.1
363 4 7 3 41.766 83.532 0.432 3.06 4 41.8 2.1
364 5 6 -3 41.852 83.703 0.433 3.05 4 59.9 4.4
365 4 9 -3 41.854 83.707 0.433 3.05 4 121.1 17.8
366 4 3 -7 41.909 83.818 0.434 3.05 4 74.7 6.8
367 2 9 5 41.987 83.975 0.434 3.04 4 83.8 8.5
368 1 3 8 41.996 83.992 0.434 3.04 4 21.0 0.5
369 1 12 3 42.018 84.037 0.434 3.04 4 72.0 6.3
370 1 13 0 42.03 84.06 0.435 3.04 4 71.4 6.2
371 1 8 -7 42.052 84.103 0.435 3.03 4 111.6 15.0
372 4 9 1 42.191 84.382 0.436 3.02 4 58.7 4.1
373 4 6 -6 42.191 84.383 0.436 3.02 4 66.5 5.3
374 3 3 -8 42.232 84.464 0.436 3.02 4 20.8 0.5
375 5 0 3 42.334 84.668 0.437 3.01 2 88.1 4.6
376 5 4 -5 42.478 84.957 0.438 3.0 4 235.4 66.1
377 1 9 6 42.597 85.194 0.439 2.99 4 9.7 0.1
378 0 11 5 42.752 85.505 0.441 2.97 4 107.3 13.6
379 2 5 7 42.759 85.519 0.441 2.97 4 39.4 1.8
380 2 12 2 42.898 85.796 0.442 2.96 4 75.4 6.7
381 4 3 5 42.919 85.838 0.442 2.96 4 38.6 1.8
382 5 2 3 42.925 85.85 0.442 2.96 4 16.4 0.3
383 5 6 1 42.962 85.924 0.442 2.96 4 72.5 6.2
384 5 7 -2 43.016 86.033 0.443 2.95 4 86.9 8.9
385 1 13 -2 43.022 86.045 0.443 2.95 4 51.3 3.1
386 4 6 4 43.033 86.065 0.443 2.95 4 46.3 2.5
387 0 12 4 43.048 86.097 0.443 2.95 4 104.5 12.8
388 3 5 6 43.067 86.133 0.443 2.95 4 42.9 2.2
389 5 1 -6 43.087 86.173 0.443 2.95 4 30.4 1.1
390 3 10 3 43.102 86.203 0.444 2.95 4 106.1 13.2
391 1 0 -9 43.238 86.477 0.445 2.94 2 29.4 0.5
392 3 9 4 43.287 86.574 0.445 2.93 4 5.3 0.0
393 5 5 2 43.337 86.675 0.445 2.93 4 83.2 8.1
394 0 10 6 43.44 86.88 0.446 2.92 4 64.1 4.8
395 5 7 0 43.57 87.141 0.447 2.91 4 91.4 9.7
396 0 6 8 43.635 87.269 0.448 2.91 4 39.8 1.8
397 2 8 6 43.653 87.306 0.448 2.91 4 56.4 3.7
398 4 10 -2 43.711 87.421 0.449 2.9 4 18.6 0.4
399 2 6 -8 43.752 87.504 0.449 2.9 4 54.4 3.4
400 1 13 2 43.794 87.589 0.449 2.9 4 16.7 0.3
401 1 2 -9 43.828 87.656 0.45 2.9 4 23.7 0.6
402 4 10 0 43.878 87.757 0.45 2.89 4 3.5 0.0
403 3 11 2 43.899 87.798 0.45 2.89 4 149.9 25.9
404 3 10 -5 43.974 87.947 0.451 2.89 4 93.5 10.0
405 2 11 -5 44.028 88.057 0.451 2.88 4 99.7 11.4
406 2 1 -9 44.053 88.106 0.451 2.88 4 23.6 0.6
407 6 0 -2 44.22 88.44 0.453 2.87 2 112.3 7.2
408 5 3 -6 44.266 88.532 0.453 2.87 4 15.4 0.3
409 4 5 -7 44.271 88.541 0.453 2.87 4 56.2 3.6
410 0 1 9 44.321 88.641 0.454 2.86 4 17.4 0.3
411 0 13 3 44.326 88.653 0.454 2.86 4 53.4 3.2
412 2 10 -6 44.329 88.659 0.454 2.86 4 55.7 3.5
413 1 5 8 44.357 88.714 0.454 2.86 4 94.3 10.1
414 3 9 -6 44.376 88.753 0.454 2.86 4 99.9 11.4
415 2 13 -1 44.394 88.788 0.454 2.86 4 24.6 0.7
416 3 0 7 44.43 88.861 0.454 2.86 2 106.8 6.5
417 3 8 5 44.454 88.908 0.455 2.86 4 126.5 18.2
418 6 1 -1 44.493 88.986 0.455 2.86 4 116.7 15.5
419 3 12 -1 44.521 89.042 0.455 2.85 4 27.5 0.9
420 3 11 -4 44.553 89.105 0.455 2.85 4 17.7 0.4
421 3 5 -8 44.592 89.185 0.456 2.85 4 72.0 5.9
422 2 0 8 44.618 89.237 0.456 2.85 2 106.3 6.4
423 5 4 3 44.694 89.388 0.457 2.84 4 30.4 1.0
424 2 12 -4 44.709 89.418 0.457 2.84 4 127.3 18.3
425 1 8 7 44.755 89.509 0.457 2.84 4 173.0 33.9
426 1 7 -8 44.808 89.616 0.457 2.84 4 147.2 24.5
427 6 2 -2 44.809 89.618 0.457 2.84 4 72.6 6.0
428 6 1 -3 44.928 89.857 0.458 2.83 4 92.0 9.5
429 4 0 -8 44.971 89.942 0.459 2.83 2 185.2 19.3
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 1 1 5.31 10.62 8.32332 56.1 6.8 6.9 5.6
2 0 2 0 5.819 11.638 7.5975 33.2 4.0 4.1 5.6
3 1 1 0 7.388 14.776 5.9902 134.9 16.4 16.5 5.6
4 0 0 2 8.908 17.816 4.97431 81.5 9.9 10.0 5.6
5 1 2 -1 9.436 18.871 4.69854 43.3 5.3 5.3 5.6
6 0 3 1 9.826 19.652 4.5137 245.2 29.8 30.0 5.6
7 1 2 1 10.563 21.125 4.20206 166.8 20.3 20.4 5.6
8 0 2 2 10.666 21.333 4.16166 95.3 11.6 11.6 5.6
9 1 3 0 11.104 22.209 3.99944 33.1 4.0 4.0 5.6
10 0 4 0 11.699 23.398 3.79875 145.7 17.7 17.8 5.6
11 1 1 2 12.553 25.107 3.54397 214.9 26.1 26.2 5.6
12 0 1 3 13.753 27.507 3.23994 41.8 5.1 5.1 5.6
13 2 1 -1 13.899 27.798 3.20669 342.8 41.6 41.7 5.6
14 1 4 1 14.705 29.411 3.03439 151.7 18.4 18.4 5.6
15 0 4 2 14.782 29.564 3.01907 823.7 100.0 100.0 5.6
16 2 2 0 14.903 29.806 2.9951 52.2 6.3 6.3 5.6
17 2 0 -2 14.931 29.863 2.98951 686.2 83.3 83.3 5.6
18 1 3 2 15.093 30.186 2.95826 234.8 28.5 28.5 5.6
19 1 2 -3 15.128 30.256 2.95154 25.7 3.1 3.1 5.6
20 2 1 1 15.471 30.941 2.88769 40.8 4.9 4.9 5.6
21 2 2 -2 16.075 32.149 2.7819 35.1 4.3 4.2 5.6
22 0 3 3 16.119 32.238 2.77444 227.4 27.6 27.5 5.6
23 2 3 -1 16.245 32.49 2.75348 46.2 5.6 5.6 5.6
24 2 3 1 17.628 35.256 2.54353 116.6 14.2 14.1 5.7
25 2 0 2 17.785 35.569 2.52186 196.3 23.8 23.7 5.7
26 1 5 -2 17.997 35.994 2.49305 212.1 25.8 25.6 5.7
27 0 0 4 18.041 36.083 2.48715 148.5 18.0 17.9 5.7
28 2 4 0 18.145 36.289 2.47349 49.3 6.0 6.0 5.7
29 1 1 -4 18.339 36.678 2.44812 15.1 1.8 1.8 5.7
30 2 2 2 18.774 37.547 2.39345 24.9 3.0 3.0 5.7
31 2 4 -2 19.14 38.28 2.34927 8.5 1.0 1.0 5.7
32 1 6 -1 19.288 38.576 2.33194 61.8 7.5 7.4 5.7
33 2 3 -3 19.621 39.243 2.29383 27.1 3.3 3.3 5.7
34 1 6 1 19.898 39.796 2.26322 24.1 2.9 2.9 5.7
35 0 6 2 19.957 39.913 2.25685 43.5 5.3 5.2 5.7
36 0 5 3 20.108 40.217 2.2405 18.1 2.2 2.2 5.7
37 1 4 3 20.191 40.381 2.23176 286.3 34.8 34.4 5.7
38 1 3 -4 20.229 40.458 2.22772 41.3 5.0 5.0 5.7
39 3 0 -1 20.408 40.816 2.20896 135.0 16.4 16.2 5.7
40 2 0 -4 20.694 41.388 2.17978 8.7 1.1 1.1 5.7
41 1 1 4 20.783 41.566 2.17084 49.5 6.0 5.9 5.7
42 3 1 0 20.986 41.971 2.15081 59.1 7.2 7.1 5.7
43 3 2 -1 21.294 42.587 2.12113 71.1 8.6 8.5 5.7
44 2 5 1 21.374 42.748 2.11351 72.0 8.7 8.6 5.7
45 2 2 -4 21.57 43.139 2.09525 13.1 1.6 1.6 5.7
46 1 3 4 22.501 45.003 2.01273 121.2 14.7 14.5 5.7
47 1 0 -5 22.546 45.093 2.00892 13.1 1.6 1.6 5.7
48 3 3 0 22.692 45.383 1.99673 15.2 1.8 1.8 5.7
49 0 1 5 22.982 45.963 1.97288 14.8 1.8 1.8 5.7
50 2 6 -2 23.492 46.984 1.93235 13.2 1.6 1.6 5.7
51 3 2 -3 23.551 47.102 1.92778 14.9 1.8 1.8 5.7
52 1 5 -4 23.631 47.262 1.92166 9.4 1.1 1.1 5.7
53 0 8 0 23.925 47.85 1.89938 137.0 16.6 16.3 5.7
54 2 4 -4 24.043 48.086 1.89063 366.3 44.5 43.7 5.7
55 1 6 3 24.39 48.779 1.86535 142.6 17.3 17.0 5.7
56 3 1 2 24.534 49.068 1.85506 12.5 1.5 1.5 5.7
57 1 8 -1 25.183 50.367 1.81023 29.1 3.5 3.5 5.8
58 3 4 1 25.319 50.638 1.80116 49.6 6.0 5.9 5.8
59 1 8 1 25.68 51.36 1.77751 168.7 20.5 20.0 5.8
60 2 2 4 25.766 51.532 1.77199 23.2 2.8 2.8 5.8
61 3 5 0 25.837 51.674 1.76744 13.0 1.6 1.5 5.8
62 3 4 -3 25.878 51.756 1.76486 119.5 14.5 14.2 5.8
63 1 2 5 25.91 51.819 1.76284 24.6 3.0 2.9 5.8
64 2 7 1 26.169 52.339 1.74657 14.6 1.8 1.7 5.8
65 2 3 -5 26.222 52.444 1.74332 43.3 5.3 5.1 5.8
66 3 0 3 27.269 54.537 1.68124 14.5 1.8 1.7 5.8
67 1 1 -6 27.427 54.854 1.67228 38.0 4.6 4.5 5.8
68 2 7 -3 27.664 55.327 1.65909 11.0 1.3 1.3 5.8
69 4 1 -1 27.873 55.745 1.64764 13.9 1.7 1.6 5.8
70 2 4 4 27.958 55.917 1.64299 26.8 3.3 3.2 5.8
71 2 8 0 27.995 55.99 1.64102 12.0 1.5 1.4 5.8
72 1 9 0 28.118 56.237 1.63439 73.3 8.9 8.6 5.8
73 4 0 0 28.21 56.42 1.62951 29.6 3.6 3.5 5.8
74 2 8 -2 28.716 57.433 1.60317 51.3 6.2 6.0 5.8
75 2 0 -6 28.748 57.495 1.60157 95.0 11.5 11.2 5.8
76 1 3 -6 28.843 57.687 1.59671 22.8 2.8 2.7 5.8
77 3 6 1 28.949 57.898 1.59138 60.1 7.3 7.1 5.8
78 2 5 -5 29.088 58.176 1.58444 14.0 1.7 1.6 5.8
79 4 3 -1 29.275 58.55 1.57522 45.4 5.5 5.3 5.8
80 4 1 -3 29.308 58.616 1.57359 17.2 2.1 2.0 5.8
81 3 6 -3 29.46 58.921 1.56618 46.4 5.6 5.5 5.8
82 1 8 3 29.5 58.999 1.56429 26.7 3.2 3.1 5.8
83 3 5 -4 29.701 59.402 1.55463 95.7 11.6 11.2 5.8
84 3 4 3 30.068 60.136 1.5374 60.9 7.4 7.1 5.8
85 3 7 0 30.106 60.213 1.53562 62.9 7.6 7.4 5.8
86 1 1 6 30.167 60.334 1.53284 38.0 4.6 4.5 5.8
87 0 4 6 30.456 60.913 1.51965 12.2 1.5 1.4 5.8
88 2 8 2 30.511 61.022 1.51719 25.8 3.1 3.0 5.8
89 4 4 -2 30.764 61.529 1.5059 17.2 2.1 2.0 5.8
90 2 3 5 30.82 61.639 1.50346 58.2 7.1 6.8 5.8
91 2 9 -1 30.871 61.743 1.50119 53.4 6.5 6.2 5.8
92 3 1 4 30.953 61.905 1.49764 13.1 1.6 1.5 5.8
93 4 0 -4 31.019 62.038 1.49476 9.4 1.1 1.1 5.8
94 4 3 1 31.049 62.099 1.49344 12.0 1.5 1.4 5.8
95 2 6 4 31.384 62.767 1.47913 9.1 1.1 1.1 5.9
96 1 3 6 31.505 63.01 1.47401 23.9 2.9 2.8 5.9
97 1 5 -6 31.554 63.108 1.47197 36.7 4.5 4.3 5.9
98 1 10 1 31.967 63.935 1.45491 60.7 7.4 7.1 5.9
99 3 1 -6 32.173 64.346 1.44659 26.4 3.2 3.1 5.9
100 4 2 2 32.242 64.483 1.44385 22.6 2.7 2.6 5.9
101 3 3 4 32.272 64.544 1.44263 11.3 1.4 1.3 5.9
102 3 8 -1 32.334 64.667 1.44019 49.1 6.0 5.7 5.9
103 3 7 2 32.946 65.892 1.41636 11.7 1.4 1.4 5.9
104 4 5 -3 33.292 66.583 1.40332 11.0 1.3 1.3 5.9
105 3 8 1 33.6 67.2 1.39193 19.8 2.4 2.3 5.9
106 4 5 1 33.656 67.312 1.38989 11.0 1.3 1.3 5.9
107 0 6 6 33.729 67.458 1.38722 11.5 1.4 1.3 5.9
108 1 8 -5 33.925 67.85 1.38016 17.7 2.2 2.1 5.9
109 2 0 6 33.959 67.918 1.37895 13.0 1.6 1.5 5.9
110 3 8 -3 34.071 68.141 1.37497 9.7 1.2 1.1 5.9
111 1 10 -3 34.13 68.261 1.37286 22.9 2.8 2.7 5.9
112 4 4 2 34.17 68.34 1.37146 15.8 1.9 1.8 5.9
113 4 1 3 34.47 68.94 1.36097 21.5 2.6 2.5 5.9
114 2 6 -6 34.685 69.369 1.3536 10.8 1.3 1.2 5.9
115 1 4 -7 34.774 69.547 1.35057 9.8 1.2 1.1 5.9
116 3 0 5 34.818 69.636 1.34907 15.1 1.8 1.7 5.9
117 4 3 -5 35.012 70.024 1.34254 14.2 1.7 1.6 5.9
118 1 0 7 35.138 70.275 1.33835 18.0 2.2 2.1 5.9
119 1 10 3 35.365 70.73 1.33087 8.8 1.1 1.0 5.9
120 4 3 3 35.722 71.445 1.3193 70.3 8.5 8.1 5.9
121 1 8 5 35.977 71.955 1.31119 9.3 1.1 1.1 5.9
122 2 10 2 36.288 72.575 1.30151 9.0 1.1 1.0 6.0
123 5 0 -3 36.43 72.86 1.29712 10.0 1.2 1.1 6.0
124 0 9 5 36.752 73.503 1.28734 14.7 1.8 1.7 6.0
125 0 11 3 37.162 74.323 1.27516 19.8 2.4 2.3 6.0
126 4 7 1 37.395 74.789 1.26836 23.4 2.8 2.7 6.0
127 4 5 -5 37.483 74.966 1.26582 23.9 2.9 2.7 6.0
128 1 1 -8 37.66 75.321 1.26073 57.8 7.0 6.6 6.0
129 1 7 6 37.813 75.626 1.2564 24.0 2.9 2.7 6.0
130 3 10 -1 37.973 75.945 1.25191 21.4 2.6 2.4 6.0
131 2 9 -5 38.072 76.143 1.24914 18.9 2.3 2.2 6.0
132 4 5 3 38.175 76.35 1.24628 13.6 1.7 1.6 6.0
133 4 8 0 38.523 77.046 1.23674 15.0 1.8 1.7 6.0
134 3 9 -4 38.61 77.221 1.23438 27.1 3.3 3.1 6.0
135 3 4 -7 38.641 77.282 1.23355 16.0 1.9 1.8 6.0
136 0 12 2 38.882 77.764 1.22712 34.1 4.1 3.9 6.0
137 2 8 -6 38.985 77.969 1.22439 12.6 1.5 1.4 6.0
138 2 1 7 39.188 78.376 1.21905 15.2 1.8 1.7 6.0
139 1 10 -5 39.465 78.93 1.21188 13.2 1.6 1.5 6.0
140 2 6 6 39.497 78.994 1.21106 8.3 1.0 0.9 6.0
141 3 10 -3 39.603 79.205 1.20836 13.3 1.6 1.5 6.0
142 1 6 7 40.615 81.23 1.18328 10.6 1.3 1.2 6.1
143 2 7 -7 40.886 81.772 1.1768 14.5 1.8 1.6 6.1
144 1 11 4 41.223 82.447 1.16887 23.2 2.8 2.6 6.1
145 2 10 4 41.303 82.607 1.16701 10.4 1.3 1.2 6.1
146 1 10 5 41.417 82.834 1.16438 12.7 1.5 1.4 6.1
147 3 11 -2 41.579 83.158 1.16067 24.2 2.9 2.7 6.1
148 4 9 -3 41.854 83.707 1.15444 22.2 2.7 2.5 6.1
149 2 9 5 41.987 83.975 1.15145 9.0 1.1 1.0 6.1
150 1 12 3 42.018 84.037 1.15075 12.4 1.5 1.4 6.1
151 1 8 -7 42.052 84.103 1.15001 15.0 1.8 1.7 6.1
152 4 6 -6 42.191 84.383 1.14692 9.5 1.1 1.1 6.1
153 5 4 -5 42.478 84.957 1.14063 66.1 8.0 7.4 6.1
154 0 11 5 42.752 85.505 1.13471 15.5 1.9 1.7 6.1
155 2 12 2 42.898 85.796 1.13161 8.8 1.1 1.0 6.1
156 5 7 -2 43.016 86.033 1.1291 14.5 1.8 1.6 6.1
157 0 12 4 43.048 86.097 1.12842 15.0 1.8 1.7 6.1
158 3 10 3 43.102 86.203 1.12731 14.3 1.7 1.6 6.1
159 5 7 0 43.57 87.141 1.11757 9.7 1.2 1.1 6.2
160 3 11 2 43.899 87.798 1.11089 25.9 3.1 2.9 6.2
161 3 10 -5 43.974 87.947 1.10939 10.0 1.2 1.1 6.2
162 2 11 -5 44.028 88.057 1.1083 12.0 1.5 1.3 6.2
163 1 5 8 44.357 88.714 1.10177 29.0 3.5 3.2 6.2
164 3 8 5 44.454 88.908 1.09987 24.7 3.0 2.7 6.2
165 6 1 -1 44.493 88.986 1.09911 16.3 2.0 1.8 6.2
166 2 0 8 44.618 89.237 1.09667 12.3 1.5 1.4 6.2
167 2 12 -4 44.709 89.418 1.09491 19.4 2.4 2.1 6.2
168 1 8 7 44.755 89.509 1.09404 33.9 4.1 3.7 6.2
169 1 7 -8 44.808 89.616 1.09301 30.4 3.7 3.4 6.2
170 6 1 -3 44.928 89.857 1.09071 9.5 1.2 1.1 6.2
171 4 0 -8 44.971 89.942 1.08989 19.3 2.3 2.1 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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