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
1, t-scawtite, DF
Ca(7)Si(6)O(18)CO(3).2H(2)O
Monoclinic I 2/m Z = 2
I2/m
3 .7 .1990
Ref.Str.:
Pluth J.J., Smith J.V. (1973)
* Acta Cryst., B29, 73-80
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.118 alpha = 90.0
b = 15.187 beta = 100.4
c = 6.626 gamma = 90.0
Unit cell volume (cub. angs.) = 1001.44
Molar volume ( cub.cm/mol.) = 301.6
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.212 0.1402 0.1996 1.0 Ca = 1.00
2 0.5 0.2495 0.0 0.66 Ca = 1.00
3 0.5 0.5 0.0 1.39 Ca = 1.00
4 0.7729 0.3957 0.2059 0.45 Si = 1.00
5 0.0 0.3233 0.0 0.46 Si = 1.00
6 0.9028 0.3933 0.0901 1.13 O = 1.00
7 0.0879 0.2683 0.1837 0.89 O = 1.00
8 0.6447 0.3756 0.0322 0.84 O = 1.00
9 0.698 0.1619 0.0918 0.74 O = 1.00
10 0.7409 0.0 0.2268 0.83 O = 1.00
11 0.3452 0.0 0.2033 1.66 H(2)O = 1.00
12 0.0 0.0 0.0 1.46 C = 1.00
13 0.0152 0.0699 0.1024 4.04 O = 0.5 , O = 0.0
14 0.0665 0.0 0.1777 1.47 O = 0.5 , O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.212 0.1402 0.1996
2 2 0.5 0.2495 0.0
3 3 0.5 0.5 0.0
4 4 0.7729 0.3957 0.2059
5 5 0.0 0.3233 0.0
6 6 0.9028 0.3933 0.0901
7 7 0.0879 0.2683 0.1837
8 8 0.6447 0.3756 0.0322
9 9 0.698 0.1619 0.0918
10 10 0.7409 0.0 0.2268
11 11 0.3452 0.0 0.2033
12 12 0.0 0.0 0.0
13 13 0.0152 0.0699 0.1024
14 14 0.0665 0.0 0.1777
15 1 0.788 0.8598 0.8004
16 2 0.5 0.7505 0.0
17 4 0.2271 0.6043 0.7941
18 5 0.0 0.6767 0.0
19 6 0.0972 0.6067 0.9099
20 7 0.9121 0.7317 0.8163
21 8 0.3553 0.6244 0.9678
22 9 0.302 0.8381 0.9082
23 10 0.2591 0.0 0.7732
24 11 0.6548 0.0 0.7967
25 13 0.9848 0.9301 0.8976
26 14 0.9335 0.0 0.8223
27 1 0.288 0.3598 0.3004
28 2 0.0 0.2505 0.5
29 3 0.0 0.0 0.5
30 4 0.7271 0.1043 0.2941
31 5 0.5 0.1767 0.5
32 6 0.5972 0.1067 0.4099
33 7 0.4121 0.2317 0.3163
34 8 0.8553 0.1244 0.4678
35 9 0.802 0.3381 0.4082
36 10 0.7591 0.5 0.2732
37 11 0.1548 0.5 0.2967
38 12 0.5 0.5 0.5
39 13 0.4848 0.4301 0.3976
40 14 0.4335 0.5 0.3223
41 1 0.712 0.6402 0.6996
42 2 0.0 0.7495 0.5
43 4 0.2729 0.8957 0.7059
44 5 0.5 0.8233 0.5
45 6 0.4028 0.8933 0.5901
46 7 0.5879 0.7683 0.6837
47 8 0.1447 0.8756 0.5322
48 9 0.198 0.6619 0.5918
49 10 0.2409 0.5 0.7268
50 11 0.8452 0.5 0.7033
51 13 0.5152 0.5699 0.6024
52 14 0.5665 0.5 0.6777
53 1 0.788 0.1402 0.8004
54 4 0.2271 0.3957 0.7941
55 6 0.0972 0.3933 0.9099
56 7 0.9121 0.2683 0.8163
57 8 0.3553 0.3756 0.9678
58 9 0.302 0.1619 0.9082
59 13 0.9848 0.0699 0.8976
60 1 0.212 0.8598 0.1996
61 4 0.7729 0.6043 0.2059
62 6 0.9028 0.6067 0.0901
63 7 0.0879 0.7317 0.1837
64 8 0.6447 0.6244 0.0322
65 9 0.698 0.8381 0.0918
66 13 0.0152 0.9301 0.1024
67 1 0.712 0.3598 0.6996
68 4 0.2729 0.1043 0.7059
69 6 0.4028 0.1067 0.5901
70 7 0.5879 0.2317 0.6837
71 8 0.1447 0.1244 0.5322
72 9 0.198 0.3381 0.5918
73 13 0.5152 0.4301 0.6024
74 1 0.288 0.6402 0.3004
75 4 0.7271 0.8957 0.2941
76 6 0.5972 0.8933 0.4099
77 7 0.4121 0.7683 0.3163
78 8 0.8553 0.8756 0.4678
79 9 0.802 0.6619 0.4082
80 13 0.4848 0.5699 0.3976
X-ray density (g/cm cub.) = 2.76
MU (1/cm) = 198.901 Mass attenuation coefficient (cm**2/g) = 72.016
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 3.048 9
2.3075 7
2.5177 11
2.2487 13
2.5777 14
2.4623 7
2.3023 9
2.961 13
2.9795 6
2.4331 8
2 Ca 3.048 6
2.3966 8
2.3903 9
2.435 7
2.3966 8
2.3903 9
2.435 7
3 Ca 3.048 12
2.376 8
2.376 8
2.9045 10
2.8701 13
2.352 14
2.9045 10
2.8701 13
2.352 14
2.376 8
2.376 8
2.8701 13
2.8701 13
4 Si 2.268 4
1.6376 6
1.6004 8
1.5831 9
1.6583 10
5 Si 2.268 4
1.6327 6
1.6061 7
1.6327 6
1.6061 7
6 O 3.432 9
2.6602 7
2.5841 8
2.6385 9
2.617 10
3.121 11
2.9991 11
2.4784 6
2.6392 7
3.2409 6
7 O 3.432 7
2.6602 6
3.1252 13
3.2864 7
2.6392 6
2.7435 7
3.1559 8
2.9307 9
8 O 3.432 9
2.5841 6
3.302 9
2.7627 9
2.6061 10
3.2525 13
3.007 14
2.8818 8
3.1559 7
3.0274 13
9 O 3.432 6
3.302 8
2.6256 10
3.1227 11
2.6385 6
2.7627 8
2.9307 7
10 O 3.432 10
2.6256 9
3.2148 13
3.3684 14
2.8256 11
2.617 6
2.6061 8
2.6256 9
3.2148 13
2.617 6
2.6061 8
11 H(2)O 3.6 10
3.452 13
2.7943 14
3.1227 9
2.8256 10
3.121 6
2.9991 6
3.1227 9
3.452 13
2.9991 6
3.121 6
12 C 2.04 6
1.2543 13
1.2462 14
1.2543 13
1.2462 14
1.2543 13
1.2543 13
13 O ,O 3.432 9
3.1252 7
3.2148 10
1.2457 14
2.5086 13
2.1682 14
3.2525 8
1.3362 13
2.1231 13
3.0274 8
14 O ,O 3.432 9
3.3684 10
2.7943 11
1.2457 13
2.1682 13
2.4924 14
3.007 8
2.1682 13
1.2457 13
3.007 8
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 1 1 0 5.31 10.619 0.06 230.57 4 29.3 78.7
2 0 2 0 5.822 11.644 0.066 191.39 2 37.1 52.4
3 0 1 1 7.39 14.779 0.083 117.95 4 58.4 160.3
4 1 0 -1 7.416 14.831 0.084 117.11 2 9.1 1.9
5 1 0 1 8.773 17.546 0.099 83.04 2 6.5 0.7
6 2 0 0 8.905 17.811 0.1 80.53 2 70.9 80.7
7 1 2 -1 9.448 18.897 0.107 71.29 4 39.4 44.0
8 1 3 0 9.829 19.659 0.111 65.71 4 100.5 264.8
9 1 2 1 10.555 21.11 0.119 56.7 4 88.5 177.0
10 2 1 -1 10.61 21.22 0.12 56.09 4 10.5 2.5
11 2 2 0 10.666 21.331 0.12 55.48 4 65.7 95.4
12 0 3 1 11.109 22.217 0.125 50.98 4 36.3 26.8
13 0 4 0 11.705 23.411 0.132 45.71 2 129.5 152.8
14 2 1 1 12.536 25.072 0.141 39.58 4 118.2 220.5
15 2 3 -1 13.498 26.996 0.152 33.86 4 3.4 0.2
16 0 0 2 13.673 27.347 0.153 32.95 2 20.4 2.7
17 3 1 0 13.75 27.499 0.154 32.56 4 48.9 31.1
18 1 4 -1 13.913 27.827 0.156 31.75 4 65.5 54.3
19 1 1 -2 13.916 27.831 0.156 31.74 4 128.3 208.6
20 3 0 -1 13.933 27.866 0.156 31.66 2 78.6 39.0
21 1 4 1 14.704 29.407 0.165 28.23 4 108.1 131.5
22 2 4 0 14.785 29.57 0.166 27.89 4 269.6 808.9
23 0 2 2 14.906 29.812 0.167 27.41 4 67.1 49.3
24 2 0 -2 14.959 29.918 0.168 27.2 2 350.1 665.0
25 2 3 1 15.081 30.161 0.169 26.74 4 145.4 225.4
26 3 2 -1 15.146 30.293 0.17 26.49 4 41.2 17.9
27 1 5 0 15.376 30.751 0.172 25.65 4 18.7 3.6
28 1 1 2 15.459 30.918 0.173 25.35 4 63.9 41.3
29 2 2 -2 16.102 32.204 0.18 23.22 4 58.2 31.4
30 3 3 0 16.118 32.236 0.18 23.17 4 151.4 211.9
31 3 0 1 16.196 32.392 0.181 22.93 2 43.1 8.5
32 0 5 1 16.248 32.495 0.182 22.77 4 40.1 14.6
33 1 3 -2 16.262 32.524 0.182 22.73 4 43.3 17.0
34 3 2 1 17.265 34.53 0.193 19.96 4 1.8 0.0
35 1 3 2 17.62 35.24 0.196 19.09 4 123.1 115.4
36 3 1 -2 17.711 35.423 0.197 18.87 4 2.7 0.1
37 0 6 0 17.717 35.434 0.198 18.86 2 38.1 5.5
38 2 0 2 17.761 35.522 0.198 18.76 2 221.5 183.6
39 2 5 -1 18.014 36.029 0.201 18.19 4 157.2 179.2
40 4 0 0 18.035 36.071 0.201 18.14 2 197.3 140.9
41 0 4 2 18.15 36.3 0.202 17.89 4 83.1 49.2
42 3 4 -1 18.353 36.705 0.204 17.46 4 3.5 0.1
43 4 1 -1 18.357 36.714 0.204 17.45 4 40.5 11.4
44 2 2 2 18.752 37.504 0.209 16.65 4 57.3 21.8
45 4 2 0 19.014 38.028 0.211 16.15 4 13.6 1.2
46 2 4 -2 19.166 38.333 0.213 15.87 4 21.8 3.0
47 2 5 1 19.264 38.529 0.214 15.69 4 5.8 0.2
48 1 6 -1 19.303 38.605 0.215 15.62 4 95.7 57.1
49 3 3 -2 19.655 39.309 0.218 15.01 4 62.1 23.1
50 1 6 1 19.901 39.803 0.221 14.6 4 53.1 16.4
51 2 6 0 19.964 39.928 0.222 14.49 4 79.1 36.1
52 3 5 0 20.111 40.223 0.223 14.26 4 40.8 9.5
53 3 4 1 20.176 40.351 0.224 14.16 4 192.2 208.7
54 1 5 -2 20.23 40.461 0.224 14.07 4 91.8 47.3
55 4 3 -1 20.247 40.494 0.225 14.05 4 87.9 43.3
56 1 0 -3 20.427 40.854 0.227 13.77 2 212.3 123.8
57 4 0 -2 20.732 41.463 0.23 13.32 2 58.4 9.0
58 4 1 1 20.757 41.515 0.23 13.29 4 85.6 38.9
59 0 1 3 20.989 41.978 0.233 12.96 4 102.6 54.4
60 1 7 0 21.308 42.615 0.236 12.53 4 68.3 23.3
61 1 2 -3 21.312 42.625 0.236 12.53 4 87.1 37.9
62 3 1 2 21.32 42.64 0.236 12.52 4 0.6 0.0
63 2 1 -3 21.342 42.683 0.236 12.49 4 7.7 0.3
64 1 5 2 21.371 42.741 0.237 12.45 4 108.7 58.6
65 2 4 2 21.491 42.982 0.238 12.29 4 29.3 4.2
66 4 2 -2 21.607 43.214 0.239 12.15 4 51.6 12.9
67 4 4 0 21.725 43.45 0.24 12.0 4 0.5 0.0
68 0 7 1 21.975 43.949 0.243 11.69 4 17.5 1.4
69 1 0 3 22.107 44.213 0.244 11.54 2 38.0 3.3
70 4 3 1 22.479 44.958 0.248 11.11 4 156.7 108.7
71 5 0 -1 22.563 45.127 0.249 11.02 2 75.2 12.4
72 0 6 2 22.665 45.33 0.25 10.91 4 7.9 0.3
73 0 3 3 22.696 45.393 0.25 10.87 4 48.7 10.3
74 3 0 -3 22.78 45.56 0.251 10.78 2 4.9 0.1
75 3 6 -1 22.834 45.667 0.252 10.72 4 28.4 3.4
76 1 2 3 22.94 45.88 0.253 10.61 4 10.8 0.5
77 5 1 0 22.974 45.948 0.253 10.58 4 43.9 8.1
78 3 3 2 23.008 46.015 0.254 10.54 4 21.3 1.9
79 2 3 -3 23.028 46.056 0.254 10.52 4 28.0 3.3
80 3 5 -2 23.129 46.258 0.255 10.42 4 27.9 3.2
81 2 7 -1 23.373 46.745 0.258 10.17 4 15.4 1.0
82 5 2 -1 23.384 46.767 0.258 10.16 4 24.7 2.5
83 2 6 -2 23.519 47.037 0.259 10.03 4 54.9 12.1
84 3 2 -3 23.594 47.189 0.26 9.96 4 56.2 12.5
85 4 5 -1 23.65 47.301 0.26 9.9 4 40.8 6.6
86 1 4 -3 23.809 47.619 0.262 9.75 4 6.9 0.2
87 0 8 0 23.939 47.877 0.263 9.64 2 250.7 120.8
88 4 4 -2 24.08 48.159 0.265 9.51 4 294.1 327.9
89 3 6 1 24.381 48.762 0.268 9.24 4 140.2 72.5
90 2 7 1 24.395 48.79 0.268 9.23 4 122.1 54.9
91 2 1 3 24.508 49.017 0.269 9.13 4 20.9 1.6
92 5 3 0 24.572 49.145 0.27 9.08 4 6.7 0.2
93 5 1 -2 24.744 49.488 0.272 8.94 4 32.2 3.7
94 4 0 2 24.966 49.933 0.274 8.76 2 40.5 2.9
95 3 7 0 25.102 50.204 0.275 8.65 4 35.4 4.3
96 5 0 1 25.123 50.247 0.276 8.63 2 30.1 1.6
97 1 8 -1 25.201 50.401 0.276 8.57 4 63.7 13.9
98 1 7 -2 25.202 50.404 0.276 8.57 4 53.4 9.8
99 1 4 3 25.311 50.622 0.278 8.49 4 117.9 47.0
100 4 1 -3 25.439 50.879 0.279 8.39 4 36.9 4.6
101 2 6 2 25.524 51.048 0.28 8.33 4 17.8 1.1
102 4 5 1 25.648 51.296 0.281 8.24 4 108.3 38.5
103 1 8 1 25.688 51.377 0.281 8.21 4 124.6 50.8
104 5 4 -1 25.724 51.448 0.282 8.18 4 98.5 31.7
105 4 2 2 25.728 51.457 0.282 8.18 4 82.2 22.0
106 4 6 0 25.73 51.459 0.282 8.18 4 33.6 3.7
107 2 8 0 25.74 51.48 0.282 8.17 4 59.5 11.5
108 0 5 3 25.845 51.689 0.283 8.09 4 61.7 12.3
109 5 2 1 25.882 51.764 0.283 8.07 4 80.2 20.7
110 3 4 -3 25.921 51.841 0.284 8.04 4 178.4 102.0
111 2 3 3 26.036 52.071 0.285 7.96 4 44.8 6.4
112 3 5 2 26.128 52.255 0.286 7.9 4 5.7 0.1
113 2 5 -3 26.146 52.292 0.286 7.88 4 17.7 1.0
114 1 7 2 26.171 52.342 0.286 7.87 4 44.7 6.3
115 5 3 -2 26.261 52.523 0.287 7.8 4 107.7 36.1
116 4 3 -3 26.929 53.857 0.294 7.37 4 7.0 0.1
117 3 0 3 27.23 54.461 0.297 7.19 2 86.1 10.6
118 6 1 -1 27.443 54.886 0.299 7.06 4 105.9 31.6
119 5 5 0 27.561 55.122 0.3 6.99 4 18.9 1.0
120 1 9 0 27.58 55.161 0.301 6.98 4 8.8 0.2
121 1 6 -3 27.584 55.169 0.301 6.98 4 14.8 0.6
122 6 0 0 27.672 55.344 0.301 6.93 2 28.0 1.1
123 3 7 -2 27.697 55.393 0.302 6.91 4 47.8 6.3
124 4 6 -2 27.828 55.656 0.303 6.84 4 45.5 5.6
125 1 1 -4 27.894 55.787 0.304 6.8 4 66.3 11.9
126 4 4 2 27.925 55.85 0.304 6.79 4 90.6 22.2
127 3 2 3 27.949 55.897 0.304 6.77 4 25.9 1.8
128 0 8 2 28.008 56.016 0.305 6.74 4 49.7 6.7
129 2 0 -4 28.045 56.09 0.305 6.72 2 2.6 0.0
130 5 4 1 28.07 56.14 0.305 6.71 4 79.4 16.9
131 0 9 1 28.134 56.267 0.306 6.67 4 83.7 18.6
132 3 8 -1 28.153 56.306 0.306 6.66 4 84.3 18.9
133 4 7 -1 28.156 56.312 0.306 6.66 4 42.0 4.7
134 0 0 4 28.214 56.429 0.307 6.63 2 142.9 27.0
135 5 0 -3 28.382 56.764 0.309 6.54 2 32.2 1.4
136 6 2 0 28.383 56.765 0.309 6.54 4 31.2 2.5
137 2 8 -2 28.745 57.489 0.312 6.36 4 129.5 42.5
138 2 2 -4 28.75 57.499 0.312 6.35 4 37.2 3.5
139 6 0 -2 28.789 57.577 0.313 6.33 2 250.3 79.2
140 6 3 -1 28.861 57.721 0.313 6.3 4 84.1 17.8
141 0 2 4 28.916 57.833 0.314 6.27 4 18.7 0.9
142 2 5 3 28.917 57.835 0.314 6.27 4 23.0 1.3
143 1 6 3 28.946 57.891 0.314 6.26 4 142.5 50.7
144 5 2 -3 29.081 58.163 0.316 6.19 4 27.7 1.9
145 5 5 -2 29.128 58.256 0.316 6.17 4 69.9 12.0
146 1 3 -4 29.297 58.593 0.318 6.09 4 107.5 28.1
147 2 9 -1 29.314 58.627 0.318 6.08 4 20.2 1.0
148 5 6 -1 29.323 58.646 0.318 6.08 4 71.4 12.4
149 3 1 -4 29.359 58.717 0.318 6.06 4 78.8 15.0
150 5 1 2 29.418 58.836 0.319 6.03 4 17.0 0.7
151 6 2 -2 29.482 58.964 0.319 6.0 4 55.2 7.3
152 3 8 1 29.497 58.994 0.32 6.0 4 96.9 22.5
153 3 6 -3 29.503 59.006 0.32 5.99 4 119.3 34.0
154 1 1 4 29.687 59.375 0.321 5.91 4 107.0 27.0
155 4 5 -3 29.752 59.504 0.322 5.88 4 152.5 54.5
156 4 7 1 29.94 59.879 0.324 5.8 4 49.0 5.6
157 3 4 3 30.035 60.07 0.325 5.76 4 150.9 52.3
158 0 7 3 30.117 60.235 0.326 5.72 4 148.6 50.4
159 6 1 1 30.134 60.269 0.326 5.72 4 117.0 31.2
160 2 9 1 30.192 60.384 0.326 5.69 4 45.2 4.6
161 3 7 2 30.373 60.747 0.328 5.62 4 41.4 3.8
162 2 7 -3 30.39 60.781 0.328 5.61 4 29.1 1.9
163 6 4 0 30.45 60.9 0.329 5.58 4 66.7 9.9
164 0 10 0 30.477 60.955 0.329 5.57 2 1.0 0.0
165 2 8 2 30.506 61.013 0.33 5.56 4 102.1 23.1
166 4 8 0 30.69 61.379 0.331 5.49 4 46.6 4.8
167 3 3 -4 30.719 61.439 0.332 5.48 4 23.4 1.2
168 5 3 2 30.777 61.554 0.332 5.45 4 139.9 42.6
169 2 4 -4 30.802 61.603 0.332 5.44 4 81.2 14.3
170 3 9 0 30.807 61.613 0.332 5.44 4 54.7 6.5
171 1 9 -2 30.894 61.788 0.333 5.41 4 139.5 42.0
172 4 1 3 30.904 61.808 0.333 5.4 4 61.3 8.1
173 0 4 4 30.962 61.923 0.334 5.38 4 31.8 2.2
174 1 3 4 31.039 62.078 0.335 5.35 4 58.0 7.2
175 4 0 -4 31.082 62.163 0.335 5.34 2 86.0 7.9
176 5 4 -3 31.12 62.24 0.335 5.32 4 25.2 1.3
177 4 6 2 31.356 62.712 0.338 5.23 4 67.7 9.6
178 6 3 1 31.475 62.95 0.339 5.19 4 90.7 17.0
179 5 6 1 31.491 62.982 0.339 5.18 4 31.0 2.0
180 6 4 -2 31.505 63.009 0.339 5.18 4 6.0 0.1
181 2 0 4 31.558 63.115 0.34 5.16 2 54.0 3.0
182 1 10 -1 31.558 63.116 0.34 5.16 4 78.0 12.5
183 6 5 -1 31.573 63.146 0.34 5.16 4 93.5 18.0
184 5 7 0 31.681 63.362 0.341 5.12 4 44.2 4.0
185 4 2 -4 31.744 63.489 0.342 5.09 4 31.5 2.0
186 1 9 2 31.746 63.493 0.342 5.09 4 13.5 0.4
187 1 10 1 31.981 63.961 0.344 5.01 4 161.1 51.9
188 1 5 -4 31.987 63.973 0.344 5.01 4 33.7 2.3
189 2 10 0 32.025 64.051 0.344 5.0 4 12.0 0.3
190 2 2 4 32.215 64.43 0.346 4.93 4 93.1 17.1
191 4 3 3 32.226 64.452 0.346 4.93 4 60.6 7.2
192 7 0 -1 32.229 64.457 0.346 4.93 2 41.4 1.7
193 6 1 -3 32.236 64.472 0.346 4.93 4 109.3 23.5
194 1 8 -3 32.358 64.716 0.347 4.89 4 143.5 40.1
195 4 8 -2 32.58 65.159 0.35 4.82 4 48.8 4.6
196 7 2 -1 32.878 65.757 0.352 4.72 4 53.5 5.4
197 2 7 3 32.933 65.865 0.353 4.71 4 69.0 8.9
198 7 1 0 32.968 65.937 0.353 4.69 4 33.5 2.1
199 3 9 -2 33.108 66.215 0.355 4.65 4 34.2 2.2
200 5 7 -2 33.128 66.256 0.355 4.65 4 31.6 1.8
201 3 6 3 33.335 66.669 0.357 4.59 4 14.8 0.4
202 3 5 -4 33.343 66.685 0.357 4.58 4 73.3 9.8
203 5 5 2 33.398 66.796 0.357 4.57 4 3.5 0.0
204 4 9 -1 33.522 67.044 0.358 4.53 4 14.0 0.4
205 6 3 -3 33.529 67.058 0.359 4.53 4 58.0 6.1
206 7 1 -2 33.57 67.141 0.359 4.52 4 23.8 1.0
207 1 8 3 33.601 67.203 0.359 4.51 4 94.9 16.2
208 1 5 4 33.649 67.298 0.36 4.5 4 65.3 7.6
209 4 4 -4 33.689 67.379 0.36 4.48 4 9.7 0.2
210 4 7 -3 33.709 67.418 0.36 4.48 4 21.1 0.8
211 6 6 0 33.727 67.454 0.36 4.47 4 59.4 6.3
212 5 1 -4 33.821 67.642 0.361 4.45 4 50.2 4.5
213 6 0 2 33.907 67.813 0.362 4.42 2 112.7 11.2
214 5 8 -1 33.949 67.898 0.362 4.41 4 86.5 13.2
215 0 10 2 34.027 68.053 0.363 4.39 4 29.4 1.5
216 2 6 -4 34.06 68.119 0.364 4.38 4 40.0 2.8
217 6 5 1 34.067 68.133 0.364 4.38 4 2.0 0.0
218 3 8 -3 34.115 68.23 0.364 4.37 4 65.5 7.5
219 2 4 4 34.146 68.292 0.364 4.36 4 87.4 13.3
220 3 10 -1 34.156 68.313 0.364 4.36 4 106.6 19.7
221 0 6 4 34.211 68.423 0.365 4.34 4 16.5 0.5
222 7 3 0 34.248 68.495 0.365 4.33 4 42.6 3.1
223 1 11 0 34.282 68.563 0.366 4.32 4 28.8 1.4
224 5 6 -3 34.362 68.724 0.366 4.3 4 23.1 0.9
225 3 1 4 34.428 68.855 0.367 4.29 4 99.5 16.9
226 6 2 2 34.541 69.081 0.368 4.26 4 31.6 1.7
227 2 10 -2 34.688 69.376 0.369 4.22 4 49.7 4.2
228 6 6 -2 34.727 69.455 0.37 4.21 4 50.2 4.2
229 5 0 3 34.759 69.518 0.37 4.2 2 117.5 11.6
230 0 11 1 34.771 69.542 0.37 4.2 4 46.8 3.7
231 4 5 3 34.789 69.577 0.37 4.2 4 14.5 0.4
232 7 4 -1 34.791 69.582 0.37 4.2 4 51.2 4.4
233 7 3 -2 34.839 69.677 0.371 4.18 4 29.2 1.4
234 5 3 -4 35.085 70.17 0.373 4.12 4 83.3 11.4
235 7 0 1 35.101 70.202 0.373 4.12 2 126.4 13.1
236 4 9 1 35.147 70.295 0.374 4.11 4 31.9 1.7
237 0 9 3 35.311 70.622 0.375 4.07 4 50.5 4.1
238 3 10 1 35.368 70.737 0.376 4.06 4 64.6 6.8
239 5 2 3 35.386 70.772 0.376 4.05 4 36.9 2.2
240 6 7 -1 35.419 70.838 0.376 4.05 4 39.5 2.5
241 3 9 2 35.547 71.093 0.377 4.02 4 9.2 0.1
242 2 9 -3 35.562 71.125 0.378 4.01 4 17.1 0.5
243 1 0 -5 35.591 71.182 0.378 4.01 2 59.6 2.8
244 3 3 4 35.682 71.363 0.379 3.99 4 191.4 58.3
245 7 2 1 35.725 71.45 0.379 3.98 4 39.6 2.5
246 1 7 -4 35.81 71.62 0.38 3.96 4 39.6 2.5
247 2 11 -1 35.826 71.651 0.38 3.96 4 17.6 0.5
248 2 1 -5 35.834 71.669 0.38 3.95 4 28.9 1.3
249 4 8 2 35.837 71.675 0.38 3.95 4 25.2 1.0
250 5 8 1 35.964 71.928 0.381 3.93 4 56.9 5.1
251 6 5 -3 36.046 72.093 0.382 3.91 4 36.1 2.0
252 1 2 -5 36.211 72.423 0.383 3.88 4 29.1 1.3
253 7 0 -3 36.267 72.533 0.384 3.86 2 49.2 1.9
254 2 10 2 36.289 72.579 0.384 3.86 4 68.9 7.3
255 0 1 5 36.38 72.76 0.385 3.84 4 16.4 0.4
256 6 4 2 36.412 72.824 0.385 3.83 4 54.4 4.5
257 4 10 0 36.457 72.915 0.386 3.83 4 15.4 0.4
258 3 0 -5 36.488 72.976 0.386 3.82 2 97.0 7.2
259 2 11 1 36.62 73.239 0.387 3.79 4 21.7 0.7
260 7 5 0 36.743 73.485 0.388 3.77 4 49.8 3.7
261 5 9 0 36.759 73.518 0.388 3.77 4 49.1 3.6
262 4 6 -4 36.818 73.636 0.389 3.75 4 43.5 2.8
263 6 0 -4 36.865 73.73 0.389 3.75 2 55.7 2.3
264 7 2 -3 36.883 73.765 0.39 3.74 4 8.9 0.1
265 2 3 -5 37.068 74.136 0.391 3.71 4 19.3 0.5
266 3 7 -4 37.099 74.199 0.392 3.7 4 21.1 0.7
267 3 2 -5 37.103 74.205 0.392 3.7 4 42.9 2.7
268 5 7 2 37.152 74.304 0.392 3.69 4 36.2 1.9
269 3 11 0 37.179 74.358 0.392 3.69 4 84.5 10.5
270 5 4 3 37.239 74.479 0.393 3.68 4 40.6 2.4
271 2 6 4 37.258 74.515 0.393 3.67 4 13.9 0.3
272 1 11 -2 37.259 74.518 0.393 3.67 4 23.6 0.8
273 7 5 -2 37.317 74.634 0.394 3.66 4 40.3 2.4
274 1 7 4 37.392 74.784 0.394 3.65 4 104.9 16.0
275 6 2 -4 37.477 74.955 0.395 3.63 4 35.5 1.8
276 0 12 0 37.491 74.982 0.395 3.63 2 75.2 4.1
277 5 5 -4 37.556 75.113 0.396 3.62 4 96.6 13.5
278 1 0 5 37.568 75.137 0.396 3.62 2 42.0 1.3
279 7 4 1 37.572 75.144 0.396 3.62 4 14.7 0.3
280 4 0 4 37.596 75.193 0.396 3.61 2 144.3 15.0
281 0 3 5 37.607 75.214 0.396 3.61 4 20.4 0.6
282 8 1 -1 37.675 75.35 0.397 3.6 4 153.3 33.8
283 3 8 3 37.703 75.405 0.397 3.59 4 6.6 0.1
284 6 7 1 37.792 75.583 0.398 3.58 4 111.6 17.8
285 7 6 -1 37.88 75.761 0.399 3.56 4 55.5 4.4
286 2 9 3 37.931 75.863 0.399 3.56 4 10.9 0.2
287 1 10 -3 38.001 76.002 0.4 3.54 4 112.7 18.0
288 1 11 2 38.042 76.083 0.4 3.54 4 3.2 0.0
289 1 4 -5 38.049 76.099 0.4 3.54 4 31.3 1.4
290 6 8 0 38.075 76.15 0.4 3.53 4 15.3 0.3
291 5 9 -2 38.115 76.231 0.401 3.53 4 83.5 9.8
292 3 5 4 38.138 76.276 0.401 3.52 4 84.9 10.1
293 4 1 -5 38.152 76.303 0.401 3.52 4 49.0 3.4
294 1 2 5 38.177 76.353 0.401 3.52 4 18.7 0.5
295 4 2 4 38.204 76.409 0.401 3.51 4 20.5 0.6
296 4 10 -2 38.208 76.415 0.401 3.51 4 3.6 0.0
297 8 0 0 38.258 76.517 0.402 3.5 2 83.2 4.8
298 2 8 -4 38.392 76.784 0.403 3.48 4 28.9 1.2
299 8 0 -2 38.437 76.874 0.404 3.47 2 70.6 3.4
300 1 12 -1 38.475 76.95 0.404 3.47 4 52.2 3.8
301 4 7 3 38.485 76.97 0.404 3.47 4 40.7 2.3
302 0 8 4 38.537 77.074 0.404 3.46 4 84.0 9.7
303 4 9 -3 38.664 77.328 0.406 3.44 4 100.8 13.9
304 5 8 -3 38.68 77.361 0.406 3.44 4 77.4 8.2
305 7 4 -3 38.709 77.418 0.406 3.43 4 90.8 11.3
306 1 12 1 38.863 77.725 0.407 3.41 4 8.6 0.1
307 8 2 0 38.863 77.727 0.407 3.41 4 0.2 0.0
308 8 3 -1 38.887 77.774 0.408 3.41 4 110.9 16.7
309 2 12 0 38.904 77.808 0.408 3.4 4 81.9 9.1
310 3 4 -5 38.926 77.851 0.408 3.4 4 9.4 0.1
311 6 8 -2 39.03 78.06 0.409 3.39 4 83.4 9.4
312 8 2 -2 39.041 78.082 0.409 3.38 4 15.6 0.3
313 7 1 2 39.129 78.258 0.41 3.37 4 52.5 3.7
314 1 10 3 39.166 78.331 0.41 3.37 4 40.3 2.2
315 6 4 -4 39.295 78.589 0.411 3.35 4 61.7 5.1
316 3 11 -2 39.305 78.609 0.411 3.35 4 3.1 0.0
317 4 3 -5 39.359 78.719 0.412 3.34 4 10.8 0.2
318 6 1 3 39.432 78.863 0.412 3.33 4 11.7 0.2
319 6 6 2 39.453 78.907 0.412 3.33 4 60.7 4.9
320 5 10 -1 39.493 78.986 0.413 3.32 4 58.8 4.6
321 2 5 -5 39.494 78.987 0.413 3.32 4 68.2 6.2
322 3 10 -3 39.65 79.3 0.414 3.3 4 83.2 9.1
323 4 11 -1 39.692 79.384 0.415 3.29 4 14.1 0.3
324 6 7 -3 39.699 79.397 0.415 3.29 4 20.5 0.6
325 2 1 5 39.745 79.491 0.415 3.29 4 14.7 0.3
326 1 4 5 39.984 79.968 0.417 3.26 4 63.3 5.2
327 4 4 4 40.012 80.023 0.417 3.25 4 55.0 3.9
328 0 5 5 40.022 80.044 0.417 3.25 4 3.8 0.0
329 5 0 -5 40.19 80.38 0.419 3.23 2 83.4 4.5
330 5 6 3 40.26 80.52 0.419 3.22 4 44.7 2.6
331 6 9 -1 40.292 80.584 0.42 3.22 4 51.3 3.4
332 7 3 2 40.328 80.657 0.42 3.21 4 21.9 0.6
333 7 7 0 40.374 80.748 0.42 3.21 4 52.6 3.5
334 7 6 1 40.585 81.171 0.422 3.18 4 67.8 5.8
335 6 3 3 40.629 81.258 0.423 3.18 4 16.0 0.3
336 8 4 0 40.662 81.325 0.423 3.18 4 42.4 2.3
337 1 9 -4 40.667 81.334 0.423 3.17 4 45.0 2.6
338 0 12 2 40.763 81.526 0.424 3.16 4 60.7 4.6
339 8 1 1 40.767 81.534 0.424 3.16 4 48.8 3.0
340 5 2 -5 40.787 81.574 0.424 3.16 4 2.6 0.0
341 7 1 -4 40.812 81.624 0.424 3.16 4 0.1 0.0
342 8 4 -2 40.838 81.676 0.424 3.16 4 10.6 0.1
343 3 12 -1 40.884 81.769 0.425 3.15 4 26.7 0.9
344 7 7 -2 40.932 81.865 0.425 3.15 4 93.7 11.0
345 2 3 5 40.94 81.881 0.425 3.14 4 18.6 0.4
346 4 8 -4 41.043 82.087 0.426 3.13 4 48.4 2.9
347 1 6 -5 41.053 82.105 0.426 3.13 4 56.9 4.1
348 8 1 -3 41.118 82.236 0.427 3.13 4 27.9 1.0
349 5 7 -4 41.166 82.332 0.427 3.12 4 22.5 0.6
350 4 11 1 41.225 82.45 0.428 3.11 4 117.7 17.2
351 8 5 -1 41.281 82.563 0.428 3.11 4 48.8 3.0
352 4 10 2 41.289 82.577 0.428 3.11 4 83.8 8.7
353 0 11 3 41.381 82.761 0.429 3.1 4 14.6 0.3
354 2 12 -2 41.385 82.769 0.429 3.1 4 59.4 4.4
355 5 10 1 41.41 82.82 0.429 3.1 4 90.1 10.0
356 2 8 4 41.47 82.939 0.43 3.09 4 8.1 0.1
357 1 13 0 41.597 83.193 0.431 3.08 4 19.7 0.5
358 3 11 2 41.605 83.21 0.431 3.08 4 84.3 8.7
359 2 11 -3 41.62 83.24 0.431 3.07 4 84.8 8.8
360 5 1 4 41.665 83.329 0.432 3.07 4 34.6 1.5
361 7 6 -3 41.7 83.4 0.432 3.07 4 19.1 0.4
362 3 7 4 41.734 83.468 0.432 3.06 4 28.2 1.0
363 4 5 -5 41.747 83.494 0.432 3.06 4 8.5 0.1
364 3 9 -4 41.91 83.819 0.434 3.05 4 104.6 13.3
365 3 6 -5 41.913 83.826 0.434 3.05 4 48.2 2.8
366 8 3 1 41.956 83.911 0.434 3.04 4 17.7 0.4
367 5 9 2 41.961 83.921 0.434 3.04 4 73.2 6.5
368 7 3 -4 42.0 84.001 0.434 3.04 4 60.8 4.5
369 3 12 1 42.029 84.058 0.435 3.04 4 64.8 5.1
370 0 13 1 42.057 84.113 0.435 3.03 4 54.3 3.6
371 7 8 -1 42.075 84.151 0.435 3.03 4 94.0 10.7
372 1 9 4 42.193 84.386 0.436 3.02 4 51.5 3.2
373 6 6 -4 42.276 84.552 0.437 3.01 4 55.3 3.7
374 3 0 5 42.286 84.572 0.437 3.01 2 75.7 3.4
375 8 3 -3 42.305 84.61 0.437 3.01 4 10.3 0.1
376 5 4 -5 42.568 85.136 0.439 2.99 4 201.5 48.4
377 6 9 1 42.581 85.162 0.439 2.99 4 8.1 0.1
378 7 5 2 42.705 85.41 0.44 2.98 4 26.5 0.8
379 5 11 0 42.766 85.532 0.441 2.97 4 97.4 11.2
380 5 3 4 42.849 85.698 0.441 2.97 4 22.5 0.6
381 3 2 5 42.878 85.755 0.442 2.96 4 11.1 0.1
382 2 12 2 42.906 85.813 0.442 2.96 4 57.3 3.9
383 1 6 5 42.956 85.912 0.442 2.96 4 54.4 3.5
384 4 6 4 42.983 85.966 0.443 2.96 4 39.1 1.8
385 6 5 3 43.002 86.005 0.443 2.95 4 44.5 2.3
386 2 13 -1 43.055 86.11 0.443 2.95 4 42.6 2.1
387 2 7 -5 43.063 86.127 0.443 2.95 4 77.4 7.1
388 4 12 0 43.067 86.135 0.443 2.95 4 80.2 7.6
389 3 10 3 43.086 86.172 0.443 2.95 4 91.4 9.8
390 6 1 -5 43.188 86.376 0.444 2.94 4 10.5 0.1
391 9 0 -1 43.252 86.504 0.445 2.94 2 23.5 0.3
392 4 9 3 43.256 86.513 0.445 2.93 4 2.5 0.0
393 2 5 5 43.311 86.623 0.445 2.93 4 78.5 7.2
394 6 10 0 43.448 86.896 0.446 2.92 4 55.7 3.6
395 0 7 5 43.584 87.167 0.448 2.91 4 66.7 5.2
396 6 8 2 43.614 87.229 0.448 2.91 4 52.7 3.2
397 8 6 0 43.626 87.252 0.448 2.91 4 29.9 1.0
398 2 10 -4 43.756 87.513 0.449 2.9 4 12.6 0.2
399 8 6 -2 43.8 87.6 0.449 2.9 4 40.5 1.9
400 2 13 1 43.813 87.626 0.449 2.9 4 15.2 0.3
401 9 2 -1 43.842 87.685 0.45 2.89 4 20.5 0.5
402 0 10 4 43.897 87.795 0.45 2.89 4 5.2 0.0
403 2 11 3 43.898 87.797 0.45 2.89 4 130.5 19.6
404 5 10 -3 44.038 88.075 0.451 2.88 4 81.0 7.5
405 5 11 -2 44.077 88.154 0.452 2.88 4 79.8 7.3
406 9 1 -2 44.098 88.197 0.452 2.88 4 7.4 0.1
407 2 0 -6 44.268 88.537 0.453 2.87 2 102.3 6.0
408 9 1 0 44.303 88.606 0.453 2.87 4 16.2 0.3
409 8 5 1 44.32 88.639 0.454 2.87 4 83.3 7.9
410 7 0 3 44.349 88.699 0.454 2.86 2 87.8 4.4
411 3 13 0 44.351 88.701 0.454 2.86 4 28.3 0.9
412 7 5 -4 44.364 88.728 0.454 2.86 4 52.5 3.1
413 6 3 -5 44.369 88.737 0.454 2.86 4 6.3 0.0
414 6 10 -2 44.379 88.759 0.454 2.86 4 47.7 2.6
415 5 8 3 44.409 88.818 0.454 2.86 4 114.0 14.8
416 1 13 -2 44.428 88.856 0.454 2.86 4 6.8 0.1
417 6 9 -3 44.445 88.891 0.455 2.86 4 79.6 7.2
418 1 1 -6 44.522 89.043 0.455 2.85 4 105.8 12.7
419 8 0 2 44.55 89.1 0.455 2.85 2 86.9 4.3
420 1 12 -3 44.556 89.111 0.455 2.85 4 2.6 0.0
421 4 11 -3 44.611 89.223 0.456 2.85 4 13.5 0.2
422 3 4 5 44.648 89.296 0.456 2.85 4 12.0 0.2
423 8 5 -3 44.667 89.334 0.456 2.85 4 63.1 4.5
424 7 8 1 44.73 89.46 0.457 2.84 4 145.0 23.8
425 4 12 -2 44.756 89.513 0.457 2.84 4 104.2 12.3
426 8 7 -1 44.829 89.658 0.458 2.84 4 116.2 15.3
427 2 2 -6 44.858 89.716 0.458 2.84 4 57.1 3.7
428 7 2 3 44.939 89.878 0.459 2.83 4 7.2 0.1
429 3 1 -6 44.997 89.993 0.459 2.83 4 72.7 6.0
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 1 1 0 5.31 10.619 8.32385 78.7 9.7 9.9 5.6
2 0 2 0 5.822 11.644 7.5935 52.4 6.5 6.6 5.6
3 0 1 1 7.39 14.779 5.989 162.3 20.1 20.3 5.6
4 2 0 0 8.905 17.811 4.97589 80.7 10.0 10.1 5.6
5 1 2 -1 9.448 18.897 4.69233 44.0 5.4 5.5 5.6
6 1 3 0 9.829 19.659 4.5121 264.8 32.7 33.0 5.6
7 1 2 1 10.555 21.11 4.20514 177.0 21.9 22.0 5.6
8 2 2 0 10.666 21.331 4.16193 95.4 11.8 11.9 5.6
9 0 3 1 11.109 22.217 3.99791 26.8 3.3 3.3 5.6
10 0 4 0 11.705 23.411 3.79675 152.8 18.9 19.0 5.6
11 2 1 1 12.536 25.072 3.54883 220.5 27.3 27.4 5.6
12 3 1 0 13.75 27.499 3.24085 31.1 3.8 3.9 5.6
13 1 1 -2 13.916 27.831 3.20295 301.9 37.3 37.4 5.6
14 1 4 1 14.704 29.407 3.03478 131.5 16.3 16.3 5.6
15 2 4 0 14.785 29.57 3.01842 808.9 100.0 100.0 5.6
16 0 2 2 14.906 29.812 2.9945 49.3 6.1 6.1 5.6
17 2 0 -2 14.959 29.918 2.98409 665.0 82.2 82.2 5.6
18 2 3 1 15.081 30.161 2.96061 225.4 27.9 27.9 5.6
19 3 2 -1 15.146 30.293 2.94805 17.9 2.2 2.2 5.6
20 1 1 2 15.459 30.918 2.88984 41.3 5.1 5.1 5.6
21 3 3 0 16.118 32.236 2.77462 243.4 30.1 30.0 5.6
22 3 0 1 16.196 32.392 2.76164 8.5 1.0 1.0 5.6
23 1 3 -2 16.262 32.524 2.75072 31.6 3.9 3.9 5.6
24 1 3 2 17.62 35.24 2.5447 115.4 14.3 14.2 5.7
25 2 0 2 17.761 35.522 2.52512 183.6 22.7 22.6 5.7
26 2 5 -1 18.014 36.029 2.49075 320.1 39.6 39.3 5.7
27 0 4 2 18.15 36.3 2.47274 49.2 6.1 6.0 5.7
28 4 1 -1 18.357 36.714 2.44582 11.4 1.4 1.4 5.7
29 2 2 2 18.752 37.504 2.39611 21.8 2.7 2.7 5.7
30 1 6 -1 19.303 38.605 2.33026 57.1 7.1 7.0 5.7
31 3 3 -2 19.655 39.309 2.29011 23.1 2.9 2.8 5.7
32 1 6 1 19.901 39.803 2.26286 16.4 2.0 2.0 5.7
33 2 6 0 19.964 39.928 2.25605 36.1 4.5 4.4 5.7
34 3 5 0 20.111 40.223 2.24018 9.5 1.2 1.2 5.7
35 3 4 1 20.176 40.351 2.23334 208.7 25.8 25.5 5.7
36 1 5 -2 20.23 40.461 2.22755 90.5 11.2 11.1 5.7
37 1 0 -3 20.427 40.854 2.20704 123.8 15.3 15.2 5.7
38 4 1 1 20.757 41.515 2.17339 47.9 5.9 5.9 5.7
39 0 1 3 20.989 41.978 2.15049 54.4 6.7 6.6 5.7
40 1 2 -3 21.312 42.625 2.11934 61.2 7.6 7.5 5.7
41 1 5 2 21.371 42.741 2.11383 58.6 7.2 7.2 5.7
42 4 2 -2 21.607 43.214 2.09179 12.9 1.6 1.6 5.7
43 4 3 1 22.479 44.958 2.01461 108.7 13.4 13.2 5.7
44 5 0 -1 22.563 45.127 2.00748 12.4 1.5 1.5 5.7
45 0 3 3 22.696 45.393 1.99633 10.3 1.3 1.3 5.7
46 5 1 0 22.974 45.948 1.97348 8.1 1.0 1.0 5.7
47 2 6 -2 23.519 47.037 1.93029 12.1 1.5 1.5 5.7
48 3 2 -3 23.594 47.189 1.92445 12.5 1.6 1.5 5.7
49 0 8 0 23.939 47.877 1.89838 120.8 14.9 14.7 5.7
50 4 4 -2 24.08 48.159 1.88791 327.9 40.5 39.8 5.7
51 3 6 1 24.381 48.762 1.86597 127.4 15.7 15.5 5.7
52 1 8 -1 25.201 50.401 1.80906 23.6 2.9 2.9 5.8
53 1 4 3 25.311 50.622 1.80168 47.0 5.8 5.7 5.8
54 4 5 1 25.648 51.296 1.7796 38.5 4.8 4.7 5.8
55 1 8 1 25.688 51.377 1.77698 50.8 6.3 6.1 5.8
56 5 4 -1 25.724 51.448 1.77468 68.9 8.5 8.3 5.8
57 0 5 3 25.845 51.689 1.76697 12.3 1.5 1.5 5.8
58 5 2 1 25.882 51.764 1.7646 20.7 2.6 2.5 5.8
59 3 4 -3 25.921 51.841 1.76215 102.0 12.6 12.3 5.8
60 5 3 -2 26.261 52.523 1.74088 36.1 4.5 4.4 5.8
61 3 0 3 27.23 54.461 1.68341 10.6 1.3 1.3 5.8
62 6 1 -1 27.443 54.886 1.67137 31.6 3.9 3.8 5.8
63 1 1 -4 27.894 55.787 1.6465 11.9 1.5 1.4 5.8
64 4 4 2 27.925 55.85 1.6448 24.1 3.0 2.9 5.8
65 5 4 1 28.07 56.14 1.63698 16.9 2.1 2.0 5.8
66 3 8 -1 28.153 56.306 1.63255 42.2 5.2 5.1 5.8
67 0 0 4 28.214 56.429 1.62929 27.0 3.3 3.2 5.8
68 2 8 -2 28.745 57.489 1.60173 46.0 5.7 5.5 5.8
69 6 0 -2 28.789 57.577 1.59949 79.2 9.8 9.5 5.8
70 6 3 -1 28.861 57.721 1.59584 17.8 2.2 2.1 5.8
71 1 6 3 28.946 57.891 1.59156 52.0 6.4 6.2 5.8
72 5 5 -2 29.128 58.256 1.58246 12.0 1.5 1.4 5.8
73 1 3 -4 29.297 58.593 1.57415 41.4 5.1 5.0 5.8
74 3 1 -4 29.359 58.717 1.57112 15.0 1.9 1.8 5.8
75 3 6 -3 29.503 59.006 1.56411 63.8 7.9 7.6 5.8
76 1 1 4 29.687 59.375 1.55529 27.0 3.3 3.2 5.8
77 4 5 -3 29.752 59.504 1.55222 54.5 6.7 6.5 5.8
78 3 4 3 30.035 60.07 1.53893 52.3 6.5 6.2 5.8
79 0 7 3 30.117 60.235 1.53511 81.6 10.1 9.7 5.8
80 6 4 0 30.45 60.9 1.51993 9.9 1.2 1.2 5.8
81 2 8 2 30.506 61.013 1.51739 23.1 2.9 2.8 5.8
82 5 3 2 30.777 61.554 1.50535 56.9 7.0 6.8 5.8
83 1 9 -2 30.894 61.788 1.50019 50.1 6.2 6.0 5.8
84 4 6 2 31.356 62.712 1.48031 9.6 1.2 1.1 5.8
85 6 3 1 31.475 62.95 1.47528 19.0 2.4 2.3 5.9
86 6 5 -1 31.573 63.146 1.47117 33.5 4.1 4.0 5.9
87 1 10 1 31.981 63.961 1.45436 54.1 6.7 6.4 5.9
88 6 1 -3 32.236 64.472 1.44408 49.4 6.1 5.9 5.9
89 1 8 -3 32.358 64.716 1.43922 40.1 5.0 4.8 5.9
90 2 7 3 32.933 65.865 1.41686 8.9 1.1 1.1 5.9
91 3 5 -4 33.343 66.685 1.40141 9.8 1.2 1.2 5.9
92 1 8 3 33.601 67.203 1.39187 16.2 2.0 1.9 5.9
93 6 0 2 33.907 67.813 1.38082 11.2 1.4 1.3 5.9
94 5 8 -1 33.949 67.898 1.37931 13.2 1.6 1.6 5.9
95 3 10 -1 34.156 68.313 1.37194 33.0 4.1 3.9 5.9
96 3 1 4 34.428 68.855 1.36245 16.9 2.1 2.0 5.9
97 5 0 3 34.759 69.518 1.35107 15.2 1.9 1.8 5.9
98 7 0 1 35.101 70.202 1.33957 24.6 3.0 2.9 5.9
99 3 10 1 35.368 70.737 1.33075 9.0 1.1 1.1 5.9
100 3 3 4 35.682 71.363 1.3206 58.3 7.2 6.8 5.9
101 2 10 2 36.289 72.579 1.30145 9.2 1.1 1.1 6.0
102 3 11 0 37.179 74.358 1.27465 12.4 1.5 1.4 6.0
103 1 7 4 37.392 74.784 1.26845 16.0 2.0 1.9 6.0
104 5 5 -4 37.556 75.113 1.2637 15.0 1.9 1.8 6.0
105 4 0 4 37.596 75.193 1.26256 15.6 1.9 1.8 6.0
106 8 1 -1 37.675 75.35 1.26032 33.8 4.2 3.9 6.0
107 6 7 1 37.792 75.583 1.257 17.8 2.2 2.1 6.0
108 1 10 -3 38.001 76.002 1.25111 18.0 2.2 2.1 6.0
109 3 5 4 38.138 76.276 1.2473 23.8 2.9 2.8 6.0
110 0 8 4 38.537 77.074 1.23637 9.7 1.2 1.1 6.0
111 4 9 -3 38.664 77.328 1.23293 22.1 2.7 2.6 6.0
112 7 4 -3 38.709 77.418 1.23173 11.3 1.4 1.3 6.0
113 8 3 -1 38.887 77.774 1.22697 25.8 3.2 3.0 6.0
114 6 8 -2 39.03 78.06 1.22319 9.7 1.2 1.1 6.0
115 2 5 -5 39.494 78.987 1.21115 10.7 1.3 1.2 6.0
116 3 10 -3 39.65 79.3 1.20715 9.1 1.1 1.1 6.0
117 1 4 5 39.984 79.968 1.19874 9.1 1.1 1.1 6.0
118 7 7 -2 40.932 81.865 1.1757 11.5 1.4 1.3 6.1
119 4 11 1 41.225 82.45 1.16883 17.2 2.1 2.0 6.1
120 4 10 2 41.289 82.577 1.16735 11.7 1.4 1.3 6.1
121 5 10 1 41.41 82.82 1.16455 14.4 1.8 1.6 6.1
122 2 11 -3 41.62 83.24 1.15973 17.5 2.2 2.0 6.1
123 3 9 -4 41.91 83.819 1.15319 16.1 2.0 1.8 6.1
124 3 12 1 42.029 84.058 1.15052 9.6 1.2 1.1 6.1
125 7 8 -1 42.075 84.151 1.14949 14.3 1.8 1.6 6.1
126 5 4 -5 42.568 85.136 1.13869 48.5 6.0 5.5 6.1
127 5 11 0 42.766 85.532 1.13443 11.2 1.4 1.3 6.1
128 4 12 0 43.067 86.135 1.12803 26.6 3.3 3.0 6.1
129 0 7 5 43.584 87.167 1.1173 8.4 1.0 0.9 6.2
130 2 11 3 43.898 87.797 1.1109 19.6 2.4 2.2 6.2
131 8 5 1 44.32 88.639 1.10251 12.3 1.5 1.4 6.2
132 5 8 3 44.409 88.818 1.10076 14.9 1.8 1.7 6.2
133 1 1 -6 44.522 89.043 1.09855 17.0 2.1 1.9 6.2
134 7 8 1 44.73 89.46 1.09451 36.1 4.5 4.1 6.2
135 8 7 -1 44.829 89.658 1.0926 19.0 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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