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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PARGASITE
14, syn, f-amphiboles, sf-pargasite, s-pargasite
NaCa(2)[Mg(4)Al][Si(6)Al(2)]O(22)(OH)(2)
Monoclinic C 2/m Z = 2
R =0.019
23 .6 .1903
Ref.Str.:
M.D. Welch, K.S. Knight (1999)
* Eur. J. Mineral., 11, 321-331
Reserv:
See U(iso) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.893 alpha = 90.0
b = 17.937 beta = 105.52
c = 5.2802 gamma = 90.0
Unit cell volume (cub. angs.) = 902.82
Molar volume ( cub.cm/mol.) = 271.9
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2807 0.0861 0.304 0.0 Si = 0.5 , Al = 0.5
2 0.2884 0.1734 0.8171 0.0 Si = 1.00
3 0.0 0.0881 0.5 0.0 Mg = 1.00
4 0.0 0.1761 0.0 0.0 Mg = 0.5 , Al = 0.48
5 0.0 0.0 0.0 0.0 Mg = 1.00
6 0.0 0.2804 0.5 0.0 Ca = 1.00
7 0.0 0.5 0.0 0.0 Na = 1.00
8 0.107 0.0866 0.2185 0.0 O = 1.00
9 0.1199 0.1726 0.7333 0.0 O = 1.00
10 0.1061 0.0 0.7176 0.0 OH = 1.00
11 0.3658 0.2506 0.7863 0.0 O = 1.00
12 0.3489 0.1399 0.1165 0.0 O = 1.00
13 0.3436 0.1135 0.6191 0.0 O = 1.00
14 0.3414 0.0 0.2672 0.0 O = 1.00
15 0.2045 0.0 0.7796 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2807 0.0861 0.304
2 2 0.2884 0.1734 0.8171
3 3 0.0 0.0881 0.5
4 4 0.0 0.1761 0.0
5 5 0.0 0.0 0.0
6 6 0.0 0.2804 0.5
7 7 0.0 0.5 0.0
8 8 0.107 0.0866 0.2185
9 9 0.1199 0.1726 0.7333
10 10 0.1061 0.0 0.7176
11 11 0.3658 0.2506 0.7863
12 12 0.3489 0.1399 0.1165
13 13 0.3436 0.1135 0.6191
14 14 0.3414 0.0 0.2672
15 15 0.2045 0.0 0.7796
16 1 0.7193 0.9139 0.696
17 2 0.7116 0.8266 0.1829
18 3 0.0 0.9119 0.5
19 4 0.0 0.8239 0.0
20 6 0.0 0.7196 0.5
21 8 0.893 0.9134 0.7815
22 9 0.8801 0.8274 0.2667
23 10 0.8939 0.0 0.2824
24 11 0.6342 0.7494 0.2137
25 12 0.6511 0.8601 0.8835
26 13 0.6564 0.8865 0.3809
27 14 0.6586 0.0 0.7328
28 15 0.7955 0.0 0.2204
29 1 0.2807 0.9139 0.304
30 2 0.2884 0.8266 0.8171
31 8 0.107 0.9134 0.2185
32 9 0.1199 0.8274 0.7333
33 11 0.3658 0.7494 0.7863
34 12 0.3489 0.8601 0.1165
35 13 0.3436 0.8865 0.6191
36 1 0.7193 0.0861 0.696
37 2 0.7116 0.1734 0.1829
38 8 0.893 0.0866 0.7815
39 9 0.8801 0.1726 0.2667
40 11 0.6342 0.2506 0.2137
41 12 0.6511 0.1399 0.8835
42 13 0.6564 0.1135 0.3809
43 1 0.7807 0.4139 0.304
44 2 0.7884 0.3266 0.8171
45 3 0.5 0.4119 0.5
46 4 0.5 0.3239 0.0
47 5 0.5 0.5 0.0
48 6 0.5 0.2196 0.5
49 7 0.5 0.0 0.0
50 8 0.607 0.4134 0.2185
51 9 0.6199 0.3274 0.7333
52 10 0.6061 0.5 0.7176
53 11 0.8658 0.2494 0.7863
54 12 0.8489 0.3601 0.1165
55 13 0.8436 0.3865 0.6191
56 14 0.8414 0.5 0.2672
57 15 0.7045 0.5 0.7796
58 1 0.2193 0.5861 0.696
59 2 0.2116 0.6734 0.1829
60 3 0.5 0.5881 0.5
61 4 0.5 0.6761 0.0
62 6 0.5 0.7804 0.5
63 8 0.393 0.5866 0.7815
64 9 0.3801 0.6726 0.2667
65 10 0.3939 0.5 0.2824
66 11 0.1342 0.7506 0.2137
67 12 0.1511 0.6399 0.8835
68 13 0.1564 0.6135 0.3809
69 14 0.1586 0.5 0.7328
70 15 0.2955 0.5 0.2204
71 1 0.7807 0.5861 0.304
72 2 0.7884 0.6734 0.8171
73 8 0.607 0.5866 0.2185
74 9 0.6199 0.6726 0.7333
75 11 0.8658 0.7506 0.7863
76 12 0.8489 0.6399 0.1165
77 13 0.8436 0.6135 0.6191
78 1 0.2193 0.4139 0.696
79 2 0.2116 0.3266 0.1829
80 8 0.393 0.4134 0.7815
81 9 0.3801 0.3274 0.2667
82 11 0.1342 0.2494 0.2137
83 12 0.1511 0.3601 0.8835
84 13 0.1564 0.3865 0.3809
X-ray density (g/cm cub.) = 3.08
MU (1/cm) = 132.252 Mass attenuation coefficient (cm**2/g) = 42.98
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Al 2.364 4
1.6558 8
1.6505 12
1.6861 13
1.687 14
2 Si 2.148 4
1.6063 9
1.6115 11
1.6469 12
1.6885 13
3 Mg 2.568 6
2.0427 8
2.1071 9
2.0673 10
2.0673 10
2.0427 8
2.1071 9
4 Mg ,Al 2.568 6
2.0917 8
2.0707 9
2.0917 8
2.0707 9
1.9907 11
1.9907 11
5 Mg 2.568 6
2.0521 8
2.0403 10
2.0521 8
2.0403 10
2.0521 8
2.0521 8
6 Ca 2.928 8
2.4252 9
2.4252 9
2.3305 11
2.5998 12
2.6329 13
2.3305 11
2.5998 12
2.6329 13
7 Na 2.856 2
2.3742 14
2.3742 14
8 O 3.312 12
3.0982 9
3.0223 9
3.0611 10
3.0652 10
2.7606 12
2.7453 13
2.7454 14
2.7114 10
3.1067 8
2.6819 8
2.7908 9
2.9332 11
9 O 3.312 11
3.0223 8
3.0982 8
3.0991 10
2.7549 11
2.6679 12
2.6644 13
2.7908 8
2.9276 9
2.9448 11
2.8566 11
3.1069 11
10 OH 3.36 12
3.0652 8
3.0611 8
3.0991 9
3.2542 13
3.1978 14
2.7114 8
2.6658 10
3.0652 8
3.0611 8
3.0991 9
3.2542 13
2.7114 8
11 O 3.312 10
2.7549 9
2.677 12
2.6022 13
2.9895 11
2.9448 9
2.9332 8
2.8566 9
3.1069 9
3.2687 11
3.0358 12
12 O 3.312 8
2.7606 8
2.6679 9
2.677 11
2.71 13
2.6554 13
2.6396 14
3.0257 13
3.0358 11
13 O 3.312 8
2.7453 8
2.6644 9
3.2542 10
2.6022 11
2.6554 12
2.71 12
2.7525 14
3.0257 12
14 O 3.312 7
2.7454 8
3.1978 10
2.6396 12
2.7525 13
2.7454 8
2.6396 12
2.7525 13
15 H 1.68 1
0.9404 10
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 4.927 9.854 0.056 268.15 2 52.7 182.7
2 1 1 0 5.25 10.501 0.059 235.86 4 41.0 194.3
3 0 0 1 8.708 17.416 0.098 84.32 2 9.5 1.9
4 1 3 0 8.747 17.495 0.099 83.54 4 27.7 31.5
5 1 1 -1 9.051 18.103 0.102 77.88 4 49.1 92.1
6 2 0 0 9.301 18.601 0.105 73.65 2 17.0 5.2
7 0 4 0 9.891 19.782 0.112 64.86 2 75.8 91.4
8 0 2 1 10.024 20.048 0.113 63.09 4 2.9 0.3
9 2 2 0 10.546 21.091 0.119 56.8 4 19.0 10.0
10 2 0 -1 10.929 21.859 0.123 52.74 2 25.8 8.6
11 1 1 1 11.217 22.435 0.126 49.96 4 40.2 39.7
12 1 3 -1 11.464 22.928 0.129 47.74 4 52.5 64.7
13 2 2 -1 12.014 24.028 0.135 43.28 4 21.1 9.5
14 0 4 1 13.237 26.473 0.149 35.29 4 7.5 1.0
15 1 3 1 13.258 26.516 0.149 35.17 4 152.4 400.7
16 1 5 0 13.263 26.526 0.149 35.15 4 27.2 12.7
17 2 4 0 13.642 27.284 0.153 33.11 4 134.3 293.2
18 3 1 0 14.252 28.505 0.16 30.17 4 151.2 338.6
19 2 0 1 14.434 28.868 0.162 29.36 2 34.4 8.5
20 3 1 -1 14.642 29.284 0.164 28.48 4 36.4 18.5
21 2 4 -1 14.823 29.647 0.166 27.74 4 10.8 1.6
22 0 6 0 14.931 29.863 0.167 27.31 2 17.3 2.0
23 1 5 -1 15.23 30.46 0.171 26.18 4 66.7 57.2
24 2 2 1 15.287 30.573 0.171 25.97 4 159.3 323.6
25 3 3 0 15.934 31.868 0.178 23.75 4 84.4 83.1
26 3 3 -1 16.287 32.573 0.182 22.65 4 141.2 221.8
27 1 5 1 16.651 33.301 0.186 21.59 4 220.7 516.4
28 1 1 -2 17.152 34.304 0.191 20.24 4 2.2 0.0
29 0 6 1 17.389 34.777 0.194 19.65 4 188.2 341.4
30 2 0 -2 17.619 35.239 0.196 19.09 2 285.1 380.7
31 2 4 1 17.621 35.242 0.197 19.09 4 0.1 0.0
32 0 0 2 17.626 35.252 0.197 19.08 2 113.4 60.2
33 2 6 0 17.707 35.414 0.197 18.88 4 3.7 0.1
34 1 7 0 18.136 36.272 0.202 17.92 4 4.0 0.1
35 2 2 -2 18.339 36.678 0.204 17.49 4 36.7 11.5
36 0 2 2 18.345 36.691 0.204 17.47 4 22.3 4.3
37 4 0 -1 18.55 37.101 0.207 17.05 2 33.9 4.8
38 1 3 -2 18.599 37.198 0.207 16.95 4 14.8 1.8
39 2 6 -1 18.657 37.314 0.208 16.84 4 75.1 46.6
40 3 1 1 18.736 37.472 0.208 16.68 4 12.0 1.2
41 4 0 0 18.858 37.716 0.21 16.44 2 35.7 5.1
42 3 5 0 18.895 37.79 0.21 16.37 4 99.2 79.0
43 3 5 -1 19.2 38.4 0.213 15.8 4 176.4 241.3
44 4 2 -1 19.24 38.48 0.214 15.73 4 128.8 128.1
45 4 2 0 19.539 39.077 0.217 15.2 4 6.7 0.3
46 3 1 -2 19.645 39.29 0.218 15.02 4 104.8 81.0
47 1 1 2 19.657 39.313 0.218 15.0 4 5.7 0.2
48 1 7 -1 19.667 39.334 0.218 14.98 4 132.5 129.1
49 3 3 1 20.084 40.169 0.223 14.3 4 56.1 22.1
50 0 8 0 20.093 40.187 0.223 14.29 2 18.6 1.2
51 2 4 -2 20.367 40.734 0.226 13.86 4 89.1 54.0
52 0 4 2 20.373 40.746 0.226 13.85 4 43.8 13.1
53 1 7 1 20.822 41.645 0.231 13.19 4 28.0 5.1
54 3 3 -2 20.944 41.888 0.232 13.02 4 72.6 33.7
55 1 3 2 20.955 41.911 0.232 13.01 4 8.9 0.5
56 2 6 1 21.008 42.016 0.233 12.94 4 186.4 220.7
57 4 4 -1 21.195 42.391 0.235 12.68 4 4.8 0.1
58 1 5 -2 21.239 42.478 0.235 12.62 4 88.1 48.0
59 4 4 0 21.471 42.943 0.238 12.32 4 21.2 2.7
60 0 8 1 22.051 44.102 0.244 11.6 4 1.9 0.0
61 4 0 -2 22.284 44.568 0.246 11.33 2 192.8 103.4
62 2 0 2 22.3 44.601 0.246 11.31 2 223.2 138.3
63 2 8 0 22.313 44.626 0.246 11.3 4 35.1 6.8
64 3 5 1 22.58 45.16 0.249 11.0 4 122.6 81.1
65 3 7 0 22.717 45.433 0.251 10.85 4 76.4 31.1
66 4 2 -2 22.88 45.76 0.252 10.67 4 19.6 2.0
67 2 2 2 22.896 45.792 0.253 10.66 4 15.6 1.3
68 3 7 -1 22.98 45.959 0.253 10.57 4 28.2 4.1
69 4 0 1 23.073 46.145 0.254 10.47 2 29.5 2.2
70 2 8 -1 23.104 46.207 0.255 10.44 4 27.4 3.8
71 5 1 -1 23.207 46.414 0.256 10.34 4 18.1 1.7
72 1 9 0 23.257 46.513 0.256 10.29 4 91.3 42.1
73 3 5 -2 23.365 46.73 0.257 10.18 4 71.7 25.7
74 1 5 2 23.375 46.751 0.258 10.17 4 7.2 0.3
75 2 6 -2 23.422 46.845 0.258 10.12 4 3.7 0.1
76 0 6 2 23.428 46.855 0.258 10.12 4 12.8 0.8
77 4 2 1 23.653 47.306 0.26 9.9 4 29.3 4.2
78 5 1 0 23.973 47.946 0.264 9.6 4 120.1 68.0
79 4 6 -1 24.167 48.333 0.266 9.43 4 63.9 18.9
80 5 3 -1 24.352 48.705 0.268 9.27 4 35.6 5.8
81 4 6 0 24.416 48.832 0.268 9.21 4 1.3 0.0
82 1 9 -1 24.524 49.047 0.269 9.12 4 118.3 62.6
83 4 4 -2 24.601 49.202 0.27 9.06 4 83.1 30.7
84 2 4 2 24.616 49.232 0.27 9.04 4 49.1 10.7
85 1 7 -2 24.766 49.532 0.272 8.92 4 87.4 33.4
86 5 3 0 25.092 50.184 0.275 8.66 4 77.7 25.7
87 2 8 1 25.116 50.232 0.276 8.64 4 19.1 1.6
88 4 4 1 25.334 50.667 0.278 8.47 4 20.7 1.8
89 0 10 0 25.432 50.864 0.279 8.4 2 124.2 31.8
90 1 9 1 25.503 51.005 0.279 8.34 4 37.2 5.7
91 5 1 -2 25.938 51.875 0.284 8.03 4 68.4 18.4
92 3 1 2 25.957 51.914 0.284 8.01 4 68.4 18.4
93 3 7 1 25.965 51.931 0.284 8.01 4 1.7 0.0
94 2 0 -3 26.07 52.141 0.285 7.94 2 6.8 0.1
95 1 1 -3 26.208 52.415 0.287 7.84 4 41.9 6.8
96 5 5 -1 26.532 53.064 0.29 7.62 4 10.9 0.4
97 2 2 -3 26.602 53.204 0.291 7.58 4 22.7 1.9
98 3 7 -2 26.675 53.351 0.291 7.53 4 24.6 2.2
99 1 7 2 26.685 53.369 0.292 7.53 4 20.7 1.6
100 5 3 -2 26.997 53.994 0.295 7.33 4 13.0 0.6
101 0 0 3 27.013 54.027 0.295 7.32 2 41.5 3.1
102 3 3 2 27.016 54.032 0.295 7.32 4 42.8 6.6
103 0 10 1 27.087 54.174 0.296 7.27 4 68.2 16.6
104 3 1 -3 27.133 54.267 0.296 7.25 4 32.7 3.8
105 3 9 0 27.144 54.288 0.296 7.24 4 45.9 7.5
106 5 5 0 27.229 54.458 0.297 7.19 4 38.9 5.3
107 2 8 -2 27.25 54.5 0.297 7.17 4 99.7 35.0
108 0 8 2 27.255 54.509 0.297 7.17 4 27.4 2.6
109 1 3 -3 27.26 54.519 0.297 7.17 4 123.1 53.3
110 4 6 -2 27.288 54.575 0.298 7.15 4 7.0 0.2
111 2 6 2 27.302 54.603 0.298 7.14 4 12.1 0.5
112 2 10 0 27.312 54.625 0.298 7.14 4 41.3 6.0
113 3 9 -1 27.375 54.75 0.298 7.1 4 70.3 17.2
114 0 2 3 27.532 55.065 0.3 7.01 4 132.9 60.7
115 6 0 -1 27.883 55.766 0.304 6.81 2 14.9 0.4
116 4 8 -1 27.919 55.839 0.304 6.79 4 15.9 0.8
117 4 6 1 27.97 55.94 0.304 6.76 4 224.4 167.1
118 2 10 -1 27.997 55.995 0.305 6.75 4 2.2 0.0
119 5 1 1 28.023 56.047 0.305 6.73 4 8.1 0.2
120 4 8 0 28.145 56.29 0.306 6.67 4 110.3 39.8
121 2 4 -3 28.155 56.309 0.306 6.66 4 23.0 1.7
122 3 3 -3 28.162 56.323 0.306 6.66 4 2.1 0.0
123 6 2 -1 28.391 56.783 0.309 6.54 4 12.5 0.5
124 1 11 0 28.636 57.272 0.311 6.41 4 138.2 60.1
125 4 0 -3 28.809 57.618 0.313 6.32 2 17.5 0.5
126 1 1 3 28.951 57.901 0.314 6.25 4 20.5 1.3
127 1 9 -2 28.964 57.927 0.314 6.25 4 1.7 0.0
128 6 0 0 29.002 58.004 0.315 6.23 2 146.5 32.8
129 5 3 1 29.031 58.061 0.315 6.22 4 23.9 1.7
130 5 5 -2 29.036 58.072 0.315 6.21 4 4.4 0.1
131 0 4 3 29.052 58.103 0.315 6.21 4 6.7 0.1
132 3 5 2 29.054 58.108 0.315 6.2 4 31.7 3.1
133 1 5 -3 29.286 58.573 0.318 6.09 4 215.8 139.3
134 4 2 -3 29.307 58.613 0.318 6.08 4 11.9 0.4
135 6 2 0 29.498 58.995 0.32 6.0 4 39.3 4.6
136 5 7 -1 29.588 59.176 0.321 5.96 4 77.8 17.7
137 1 11 -1 29.738 59.476 0.322 5.89 4 33.9 3.3
138 2 10 1 29.771 59.542 0.322 5.87 4 45.3 5.9
139 6 0 -2 29.881 59.762 0.323 5.83 2 252.5 91.2
140 6 4 -1 29.882 59.764 0.323 5.82 4 3.6 0.0
141 4 0 2 29.903 59.806 0.324 5.82 2 197.1 55.4
142 1 3 3 29.938 59.876 0.324 5.8 4 23.4 1.6
143 3 9 1 30.047 60.093 0.325 5.75 4 5.9 0.1
144 3 5 -3 30.149 60.298 0.326 5.71 4 22.7 1.4
145 5 7 0 30.238 60.476 0.327 5.67 4 52.4 7.6
146 6 2 -2 30.368 60.736 0.328 5.62 4 10.3 0.3
147 4 2 2 30.39 60.779 0.328 5.61 4 46.5 5.9
148 1 11 1 30.601 61.202 0.33 5.52 4 21.1 1.2
149 2 6 -3 30.626 61.253 0.331 5.51 4 272.2 200.5
150 3 9 -2 30.693 61.387 0.331 5.49 4 80.1 17.3
151 1 9 2 30.702 61.404 0.331 5.48 4 117.3 37.0
152 4 4 -3 30.77 61.54 0.332 5.46 4 10.1 0.3
153 4 8 -2 30.776 61.552 0.332 5.45 4 110.4 32.6
154 2 8 2 30.789 61.578 0.332 5.45 4 12.7 0.4
155 6 4 0 30.955 61.911 0.334 5.38 4 29.6 2.3
156 5 5 1 30.983 61.966 0.334 5.37 4 112.7 33.5
157 0 12 0 31.019 62.038 0.335 5.36 2 249.2 81.7
158 4 8 1 31.41 62.82 0.338 5.21 4 15.2 0.6
159 2 0 3 31.416 62.831 0.338 5.21 2 22.7 0.7
160 0 6 3 31.48 62.959 0.339 5.19 4 27.4 1.9
161 5 1 -3 31.512 63.024 0.339 5.18 4 17.5 0.8
162 2 10 -2 31.695 63.389 0.341 5.11 4 100.6 25.4
163 0 10 2 31.699 63.398 0.341 5.11 4 20.6 1.1
164 6 4 -2 31.802 63.603 0.342 5.07 4 80.9 16.3
165 4 4 2 31.823 63.646 0.342 5.07 4 100.3 25.0
166 1 5 3 31.857 63.713 0.343 5.06 4 54.5 7.4
167 2 2 3 31.889 63.777 0.343 5.04 4 60.0 8.9
168 5 7 -2 31.937 63.875 0.343 5.03 4 14.5 0.5
169 3 7 2 31.954 63.908 0.344 5.02 4 42.8 4.5
170 3 11 0 32.07 64.14 0.345 4.98 4 117.0 33.5
171 1 7 -3 32.174 64.349 0.346 4.95 4 73.5 13.1
172 6 6 -1 32.273 64.546 0.347 4.91 4 315.3 239.8
173 3 11 -1 32.279 64.557 0.347 4.91 4 74.6 13.4
174 4 10 -1 32.306 64.612 0.347 4.9 4 44.6 4.8
175 5 3 -3 32.453 64.906 0.348 4.86 4 75.8 13.7
176 0 12 1 32.487 64.973 0.349 4.84 4 63.0 9.4
177 4 10 0 32.513 65.025 0.349 4.84 4 86.8 17.9
178 2 12 0 32.689 65.377 0.351 4.78 4 47.9 5.4
179 3 7 -3 32.993 65.985 0.353 4.69 4 55.3 7.0
180 6 0 1 33.04 66.08 0.354 4.67 2 14.9 0.3
181 4 6 -3 33.124 66.248 0.355 4.65 4 44.2 4.4
182 7 1 -1 33.142 66.284 0.355 4.64 4 13.9 0.4
183 2 4 3 33.286 66.572 0.356 4.6 4 15.7 0.6
184 6 6 0 33.302 66.604 0.356 4.59 4 33.1 2.5
185 2 12 -1 33.305 66.61 0.356 4.59 4 46.6 4.9
186 5 9 -1 33.386 66.773 0.357 4.57 4 57.5 7.4
187 6 2 1 33.501 67.002 0.358 4.54 4 80.0 14.2
188 1 11 -2 33.726 67.452 0.36 4.47 4 12.2 0.3
189 5 7 1 33.787 67.575 0.361 4.46 4 18.0 0.7
190 2 8 -3 33.905 67.811 0.362 4.42 4 18.2 0.7
191 5 9 0 33.995 67.991 0.363 4.4 4 17.1 0.6
192 7 3 -1 34.059 68.118 0.364 4.38 4 52.9 6.0
193 6 6 -2 34.117 68.234 0.364 4.37 4 9.4 0.2
194 4 6 2 34.137 68.275 0.364 4.36 4 27.2 1.6
195 5 5 -3 34.293 68.586 0.366 4.32 4 138.9 40.9
196 1 13 0 34.339 68.678 0.366 4.31 4 5.3 0.1
197 7 1 0 34.56 69.121 0.368 4.25 4 70.0 10.2
198 7 1 -2 34.563 69.126 0.368 4.25 4 24.0 1.2
199 5 1 2 34.587 69.174 0.368 4.25 4 189.5 74.9
200 1 7 3 34.623 69.247 0.369 4.24 4 38.9 3.1
201 6 0 -3 34.667 69.333 0.369 4.23 2 11.2 0.1
202 0 8 3 34.715 69.43 0.37 4.21 4 30.1 1.9
203 3 11 1 34.724 69.448 0.37 4.21 4 33.7 2.3
204 3 1 3 34.807 69.614 0.371 4.19 4 4.7 0.0
205 6 4 1 34.865 69.73 0.371 4.18 4 8.4 0.1
206 2 12 1 34.921 69.842 0.372 4.16 4 45.6 4.2
207 4 10 -2 34.952 69.905 0.372 4.16 4 42.0 3.6
208 2 10 2 34.964 69.929 0.372 4.15 4 69.8 9.9
209 6 2 -3 35.117 70.234 0.373 4.12 4 48.8 4.8
210 3 11 -2 35.324 70.649 0.375 4.07 4 122.6 30.0
211 1 11 2 35.332 70.665 0.375 4.07 4 155.3 48.2
212 1 13 -1 35.339 70.679 0.375 4.07 4 69.8 9.7
213 7 3 0 35.46 70.92 0.377 4.04 4 61.1 7.4
214 7 3 -2 35.462 70.925 0.377 4.04 4 52.9 5.5
215 6 8 -1 35.471 70.942 0.377 4.04 4 36.9 2.7
216 5 3 2 35.486 70.973 0.377 4.03 4 111.4 24.5
217 4 10 1 35.547 71.095 0.377 4.02 4 21.4 0.9
218 2 6 3 35.553 71.105 0.377 4.02 4 150.0 44.4
219 5 9 -2 35.599 71.197 0.378 4.01 4 94.5 17.5
220 3 9 2 35.615 71.229 0.378 4.0 4 32.9 2.1
221 2 0 -4 35.699 71.397 0.379 3.98 2 11.7 0.1
222 3 3 3 35.704 71.407 0.379 3.98 4 2.8 0.0
223 1 9 -3 35.824 71.647 0.38 3.96 4 77.1 11.6
224 7 5 -1 35.859 71.719 0.38 3.95 4 177.1 60.8
225 1 13 1 36.131 72.261 0.383 3.89 4 81.5 12.7
226 2 2 -4 36.144 72.287 0.383 3.89 4 17.0 0.6
227 3 1 -4 36.2 72.399 0.383 3.88 4 95.5 17.4
228 1 1 -4 36.207 72.415 0.383 3.88 4 134.8 34.6
229 4 8 -3 36.286 72.572 0.384 3.86 4 20.9 0.8
230 6 4 -3 36.454 72.907 0.386 3.83 4 7.6 0.1
231 6 8 0 36.457 72.914 0.386 3.83 4 68.2 8.7
232 3 9 -3 36.602 73.205 0.387 3.8 4 74.2 10.3
233 2 12 -2 36.701 73.403 0.388 3.78 4 204.3 77.4
234 0 12 2 36.705 73.411 0.388 3.78 4 132.7 32.6
235 0 14 0 36.957 73.913 0.39 3.73 2 12.5 0.1
236 5 7 -3 36.972 73.944 0.39 3.73 4 9.8 0.2
237 3 3 -4 37.082 74.164 0.391 3.7 4 101.8 18.9
238 6 6 1 37.088 74.176 0.391 3.7 4 90.6 14.9
239 1 3 -4 37.09 74.18 0.391 3.7 4 102.1 19.0
240 7 5 0 37.231 74.462 0.393 3.68 4 23.4 1.0
241 7 5 -2 37.233 74.467 0.393 3.68 4 46.4 3.9
242 6 8 -2 37.241 74.482 0.393 3.68 4 68.7 8.5
243 4 0 -4 37.256 74.513 0.393 3.67 2 180.4 29.3
244 5 5 2 37.257 74.514 0.393 3.67 4 77.8 10.9
245 4 8 2 37.261 74.521 0.393 3.67 4 21.3 0.8
246 0 0 4 37.272 74.544 0.393 3.67 2 149.7 20.2
247 4 12 -1 37.273 74.546 0.393 3.67 4 47.2 4.0
248 5 9 1 37.362 74.725 0.394 3.65 4 24.2 1.1
249 2 4 -4 37.465 74.931 0.395 3.64 4 21.2 0.8
250 4 12 0 37.467 74.934 0.395 3.63 4 45.1 3.6
251 3 5 3 37.47 74.94 0.395 3.63 4 6.2 0.1
252 3 13 0 37.49 74.981 0.395 3.63 4 8.5 0.1
253 3 13 -1 37.685 75.37 0.397 3.6 4 3.9 0.0
254 4 2 -4 37.694 75.388 0.397 3.6 4 24.7 1.1
255 0 2 4 37.71 75.419 0.397 3.59 4 6.5 0.1
256 5 11 -1 37.855 75.709 0.398 3.57 4 10.4 0.2
257 2 10 -3 37.912 75.825 0.399 3.56 4 6.1 0.1
258 1 9 3 38.165 76.331 0.401 3.52 4 43.0 3.2
259 0 14 1 38.315 76.629 0.402 3.49 4 40.4 2.8
260 5 11 0 38.433 76.866 0.403 3.47 4 57.8 5.7
261 7 7 -1 38.494 76.988 0.404 3.47 4 47.1 3.8
262 2 14 0 38.503 77.006 0.404 3.46 4 69.6 8.2
263 8 0 -1 38.555 77.109 0.405 3.46 2 15.4 0.2
264 4 0 3 38.606 77.212 0.405 3.45 2 12.5 0.1
265 2 8 3 38.629 77.258 0.405 3.44 4 7.4 0.1
266 6 6 -3 38.641 77.282 0.405 3.44 4 3.3 0.0
267 7 1 1 38.678 77.355 0.406 3.44 4 3.2 0.0
268 7 1 -3 38.682 77.365 0.406 3.44 4 6.2 0.1
269 0 10 3 38.687 77.375 0.406 3.44 4 67.5 7.7
270 3 5 -4 38.826 77.651 0.407 3.41 4 1.3 0.0
271 1 5 -4 38.833 77.667 0.407 3.41 4 60.3 6.1
272 8 2 -1 38.988 77.975 0.408 3.39 4 69.2 8.0
273 4 4 -4 38.997 77.994 0.408 3.39 4 54.3 4.9
274 0 4 4 39.012 78.025 0.409 3.39 4 86.4 12.4
275 4 2 3 39.039 78.077 0.409 3.38 4 87.7 12.8
276 1 13 -2 39.044 78.087 0.409 3.38 4 54.3 4.9
277 2 14 -1 39.08 78.159 0.409 3.38 4 101.0 16.9
278 5 1 -4 39.285 78.57 0.411 3.35 4 26.5 1.2
279 1 1 4 39.308 78.616 0.411 3.35 4 1.8 0.0
280 6 10 -1 39.414 78.829 0.412 3.33 4 57.1 5.3
281 8 0 -2 39.515 79.03 0.413 3.32 2 60.9 3.0
282 7 3 1 39.541 79.082 0.413 3.31 4 63.9 6.6
283 6 0 2 39.542 79.084 0.413 3.31 2 74.3 4.5
284 7 3 -3 39.546 79.092 0.413 3.31 4 3.1 0.0
285 2 6 -4 39.634 79.268 0.414 3.3 4 26.2 1.1
286 4 12 -2 39.777 79.555 0.415 3.28 4 2.1 0.0
287 2 12 2 39.789 79.578 0.415 3.28 4 25.4 1.0
288 7 7 0 39.834 79.668 0.416 3.28 4 41.4 2.8
289 7 7 -2 39.836 79.672 0.416 3.28 4 58.3 5.5
290 5 7 2 39.859 79.718 0.416 3.27 4 18.4 0.5
291 8 2 -2 39.945 79.89 0.417 3.26 4 6.0 0.1
292 5 11 -2 39.967 79.934 0.417 3.26 4 182.9 53.5
293 6 2 2 39.972 79.943 0.417 3.26 4 1.1 0.0
294 3 11 2 39.983 79.965 0.417 3.26 4 13.5 0.3
295 3 13 1 39.989 79.978 0.417 3.26 4 40.4 2.6
296 3 7 3 40.068 80.136 0.418 3.25 4 65.2 6.8
297 6 8 1 40.123 80.247 0.418 3.24 4 47.3 3.6
298 5 3 -4 40.145 80.29 0.418 3.24 4 30.2 1.5
299 1 3 4 40.168 80.336 0.419 3.23 4 17.2 0.5
300 1 11 -3 40.183 80.367 0.419 3.23 4 69.9 7.7
301 4 10 -3 40.201 80.402 0.419 3.23 4 57.4 5.2
302 8 0 0 40.275 80.55 0.42 3.22 2 161.0 20.5
303 8 4 -1 40.278 80.556 0.42 3.22 4 6.9 0.1
304 4 4 3 40.329 80.658 0.42 3.21 4 15.9 0.4
305 4 12 1 40.347 80.693 0.42 3.21 4 30.8 1.5
306 6 10 0 40.367 80.733 0.42 3.21 4 27.2 1.2
307 5 9 -3 40.439 80.877 0.421 3.2 4 12.6 0.3
308 1 15 0 40.482 80.963 0.421 3.2 4 25.2 1.0
309 3 13 -2 40.561 81.123 0.422 3.19 4 0.2 0.0
310 1 13 2 40.569 81.138 0.422 3.19 4 7.7 0.1
311 2 14 1 40.605 81.209 0.422 3.18 4 47.8 3.6
312 8 2 0 40.703 81.406 0.423 3.17 4 27.6 1.2
313 3 11 -3 40.935 81.87 0.425 3.15 4 12.4 0.2
314 6 10 -2 41.128 82.255 0.427 3.12 4 89.2 12.2
315 4 6 -4 41.142 82.285 0.427 3.12 4 0.7 0.0
316 4 10 2 41.147 82.293 0.427 3.12 4 51.0 4.0
317 0 6 4 41.158 82.315 0.427 3.12 4 5.1 0.0
318 8 4 -2 41.228 82.456 0.428 3.11 4 100.0 15.3
319 7 5 1 41.254 82.508 0.428 3.11 4 35.1 1.9
320 6 4 2 41.255 82.51 0.428 3.11 4 54.9 4.6
321 7 5 -3 41.259 82.517 0.428 3.11 4 40.9 2.6
322 3 7 -4 41.4 82.799 0.429 3.1 4 30.3 1.4
323 1 7 -4 41.407 82.815 0.429 3.1 4 17.1 0.4
324 1 15 -1 41.429 82.859 0.43 3.09 4 29.4 1.3
325 6 8 -3 41.644 83.288 0.431 3.07 4 26.0 1.0
326 5 11 1 41.672 83.343 0.432 3.07 4 60.5 5.5
327 6 0 -4 41.826 83.651 0.433 3.05 2 6.2 0.0
328 5 5 -4 41.852 83.705 0.433 3.05 4 44.0 2.9
329 2 0 4 41.856 83.712 0.433 3.05 2 228.4 39.1
330 1 5 4 41.875 83.75 0.433 3.05 4 35.9 1.9
331 7 9 -1 41.925 83.85 0.434 3.05 4 5.2 0.0
332 8 4 0 41.981 83.962 0.434 3.04 4 38.5 2.2
333 1 15 1 42.184 84.368 0.436 3.02 4 72.6 7.8
334 6 2 -4 42.251 84.501 0.436 3.02 4 20.8 0.6
335 2 2 4 42.281 84.562 0.437 3.01 4 35.2 1.8
336 2 14 -2 42.307 84.615 0.437 3.01 4 6.9 0.1
337 0 14 2 42.311 84.623 0.437 3.01 4 69.9 7.2
338 8 6 -1 42.409 84.819 0.438 3.0 4 33.0 1.6
339 1 11 3 42.453 84.906 0.438 3.0 4 10.0 0.1
340 4 6 3 42.46 84.919 0.438 3.0 4 56.0 4.6
341 2 10 3 42.482 84.964 0.438 3.0 4 101.2 15.1
342 2 8 -4 42.621 85.242 0.44 2.98 4 6.3 0.1
343 2 12 -3 42.631 85.262 0.44 2.98 4 48.2 3.4
344 4 14 -1 42.859 85.718 0.442 2.96 4 8.2 0.1
345 5 13 -1 42.999 85.997 0.443 2.95 4 1.1 0.0
346 4 14 0 43.046 86.093 0.443 2.95 4 31.0 1.4
347 8 0 -3 43.113 86.226 0.444 2.95 2 16.6 0.2
348 7 9 0 43.242 86.484 0.445 2.94 4 130.0 24.4
349 7 9 -2 43.244 86.488 0.445 2.94 4 9.5 0.1
350 5 1 3 43.256 86.512 0.445 2.93 4 7.4 0.1
351 5 9 2 43.267 86.534 0.445 2.93 4 72.0 7.5
352 8 6 -2 43.351 86.703 0.446 2.93 4 19.5 0.5
353 6 6 2 43.378 86.756 0.446 2.93 4 30.9 1.4
354 0 12 3 43.387 86.773 0.446 2.93 4 27.7 1.1
355 0 16 0 43.401 86.802 0.446 2.92 2 16.1 0.2
356 3 9 3 43.473 86.946 0.447 2.92 4 68.8 6.8
357 3 15 0 43.493 86.985 0.447 2.92 4 19.2 0.5
358 6 4 -4 43.522 87.044 0.447 2.92 4 137.8 27.2
359 8 2 -3 43.536 87.073 0.447 2.91 4 33.2 1.6
360 2 4 4 43.552 87.105 0.447 2.91 4 0.9 0.0
361 5 13 0 43.562 87.123 0.447 2.91 4 69.0 6.8
362 3 15 -1 43.681 87.362 0.448 2.91 4 22.8 0.7
363 7 7 1 43.8 87.601 0.449 2.9 4 55.3 4.4
364 7 7 -3 43.805 87.61 0.449 2.9 4 90.0 11.5
365 6 10 1 43.95 87.901 0.451 2.89 4 4.0 0.0
366 6 12 -1 44.099 88.198 0.452 2.88 4 43.4 2.7
367 8 6 0 44.1 88.2 0.452 2.88 4 19.1 0.5
368 5 3 3 44.102 88.204 0.452 2.88 4 109.7 17.0
369 4 8 -4 44.112 88.225 0.452 2.88 4 23.6 0.8
370 0 8 4 44.128 88.255 0.452 2.88 4 24.9 0.9
371 5 7 -4 44.394 88.789 0.454 2.86 4 2.9 0.0
372 1 7 4 44.417 88.834 0.454 2.86 4 54.2 4.1
373 8 0 1 44.61 89.22 0.456 2.85 2 15.7 0.2
374 5 11 -3 44.684 89.369 0.456 2.84 4 17.4 0.4
375 9 1 -1 44.7 89.399 0.457 2.84 4 8.6 0.1
376 0 16 1 44.715 89.43 0.457 2.84 4 96.2 12.9
377 3 9 -4 44.79 89.581 0.457 2.84 4 18.2 0.5
378 1 9 -4 44.798 89.596 0.457 2.84 4 86.8 10.5
379 8 4 -3 44.805 89.61 0.457 2.84 4 10.2 0.1
380 4 12 -3 44.873 89.745 0.458 2.83 4 49.6 3.4
381 2 16 0 44.898 89.796 0.458 2.83 4 8.9 0.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 2 0 4.927 9.854 8.9685 182.7 35.4 36.0 5.6
2 1 1 0 5.25 10.501 8.41753 194.3 37.6 38.2 5.6
3 1 3 0 8.747 17.495 5.0651 31.5 6.1 6.2 5.6
4 1 1 -1 9.051 18.103 4.89627 92.1 17.8 18.0 5.6
5 2 0 0 9.301 18.601 4.76618 5.2 1.0 1.0 5.6
6 0 4 0 9.891 19.782 4.48425 91.4 17.7 17.9 5.6
7 2 2 0 10.546 21.091 4.20877 10.0 1.9 2.0 5.6
8 2 0 -1 10.929 21.859 4.06265 8.6 1.7 1.7 5.6
9 1 1 1 11.217 22.435 3.95969 39.7 7.7 7.7 5.6
10 1 3 -1 11.464 22.928 3.87556 64.7 12.5 12.6 5.6
11 2 2 -1 12.014 24.028 3.70066 9.5 1.8 1.8 5.6
12 1 3 1 13.258 26.516 3.35873 413.4 80.1 80.5 5.6
13 2 4 0 13.642 27.284 3.26597 293.2 56.8 57.1 5.6
14 3 1 0 14.252 28.505 3.12874 338.6 65.6 65.8 5.6
15 2 0 1 14.434 28.868 3.0902 8.5 1.7 1.7 5.6
16 3 1 -1 14.642 29.284 3.0473 18.5 3.6 3.6 5.6
17 1 5 -1 15.23 30.46 2.93221 57.2 11.1 11.1 5.6
18 2 2 1 15.287 30.573 2.92163 323.6 62.7 62.8 5.6
19 3 3 0 15.934 31.868 2.80584 83.1 16.1 16.1 5.6
20 3 3 -1 16.287 32.573 2.74666 221.8 42.9 43.0 5.6
21 1 5 1 16.651 33.301 2.68827 516.4 100.0 100.0 5.6
22 0 6 1 17.389 34.777 2.57748 341.4 66.1 66.0 5.7
23 2 0 -2 17.619 35.239 2.54478 440.9 85.4 85.2 5.7
24 2 2 -2 18.339 36.678 2.44813 15.8 3.1 3.1 5.7
25 2 6 -1 18.657 37.314 2.40785 46.6 9.0 9.0 5.7
26 3 5 0 18.895 37.79 2.37859 79.0 15.3 15.2 5.7
27 3 5 -1 19.2 38.4 2.34221 241.3 46.7 46.5 5.7
28 4 2 -1 19.24 38.48 2.33752 128.1 24.8 24.7 5.7
29 1 7 -1 19.667 39.334 2.28872 210.3 40.7 40.5 5.7
30 3 3 1 20.084 40.169 2.24308 23.3 4.5 4.5 5.7
31 2 4 -2 20.367 40.734 2.21323 67.1 13.0 12.9 5.7
32 3 3 -2 20.944 41.888 2.15489 34.2 6.6 6.6 5.7
33 2 6 1 21.008 42.016 2.14861 220.7 42.7 42.4 5.7
34 1 5 -2 21.239 42.478 2.12635 48.0 9.3 9.2 5.7
35 2 0 2 22.3 44.601 2.02992 248.5 48.1 47.6 5.7
36 3 5 1 22.58 45.16 2.0061 81.1 15.7 15.5 5.7
37 3 7 0 22.717 45.433 1.99464 31.1 6.0 6.0 5.7
38 1 9 0 23.257 46.513 1.95082 42.1 8.2 8.0 5.7
39 3 5 -2 23.365 46.73 1.94227 26.0 5.0 5.0 5.7
40 5 1 0 23.973 47.946 1.89579 68.0 13.2 13.0 5.7
41 4 6 -1 24.167 48.333 1.88152 18.9 3.7 3.6 5.7
42 5 3 -1 24.352 48.705 1.86803 5.8 1.1 1.1 5.7
43 1 9 -1 24.524 49.047 1.85579 62.6 12.1 11.9 5.7
44 4 4 -2 24.601 49.202 1.85033 41.4 8.0 7.9 5.7
45 1 7 -2 24.766 49.532 1.83876 33.4 6.5 6.4 5.7
46 5 3 0 25.092 50.184 1.81637 27.2 5.3 5.2 5.7
47 0 10 0 25.432 50.864 1.7937 31.8 6.2 6.0 5.8
48 1 9 1 25.503 51.005 1.78905 5.7 1.1 1.1 5.8
49 5 1 -2 25.938 51.875 1.76107 36.8 7.1 7.0 5.8
50 1 1 -3 26.208 52.415 1.7442 6.8 1.3 1.3 5.8
51 3 3 2 27.016 54.032 1.69577 9.7 1.9 1.8 5.8
52 0 10 1 27.087 54.174 1.69165 16.6 3.2 3.1 5.8
53 3 9 0 27.144 54.288 1.68837 11.3 2.2 2.1 5.8
54 1 3 -3 27.26 54.519 1.68175 96.5 18.7 18.3 5.8
55 2 10 0 27.312 54.625 1.67875 6.0 1.2 1.1 5.8
56 3 9 -1 27.375 54.75 1.67521 17.2 3.3 3.3 5.8
57 0 2 3 27.532 55.065 1.66638 60.7 11.8 11.5 5.8
58 4 6 1 27.97 55.94 1.64235 167.1 32.4 31.6 5.8
59 4 8 0 28.145 56.29 1.63298 41.6 8.1 7.9 5.8
60 1 11 0 28.636 57.272 1.60729 60.1 11.6 11.3 5.8
61 6 0 0 29.002 58.004 1.58873 34.5 6.7 6.5 5.8
62 1 5 -3 29.286 58.573 1.57465 139.7 27.1 26.3 5.8
63 5 7 -1 29.588 59.176 1.56003 17.7 3.4 3.3 5.8
64 2 10 1 29.771 59.542 1.5513 5.9 1.1 1.1 5.8
65 6 0 -2 29.881 59.762 1.54613 146.6 28.4 27.5 5.8
66 5 7 0 30.238 60.476 1.52956 7.6 1.5 1.4 5.8
67 4 2 2 30.39 60.779 1.52267 5.9 1.2 1.1 5.8
68 2 6 -3 30.626 61.253 1.51202 201.7 39.1 37.8 5.8
69 1 9 2 30.702 61.404 1.50865 54.3 10.5 10.2 5.8
70 4 8 -2 30.776 61.552 1.50539 33.1 6.4 6.2 5.8
71 5 5 1 30.983 61.966 1.49632 35.8 6.9 6.7 5.8
72 0 12 0 31.019 62.038 1.49475 81.7 15.8 15.3 5.8
73 2 10 -2 31.695 63.389 1.4661 26.4 5.1 4.9 5.9
74 4 4 2 31.823 63.646 1.46081 41.3 8.0 7.7 5.9
75 1 5 3 31.857 63.713 1.45942 7.4 1.4 1.4 5.9
76 2 2 3 31.889 63.777 1.45811 8.9 1.7 1.7 5.9
77 3 11 0 32.07 64.14 1.45075 33.5 6.5 6.2 5.9
78 1 7 -3 32.174 64.349 1.44655 13.1 2.5 2.4 5.9
79 6 6 -1 32.273 64.546 1.4426 253.2 49.0 47.2 5.9
80 5 3 -3 32.453 64.906 1.43547 13.7 2.6 2.5 5.9
81 4 10 0 32.513 65.025 1.43312 27.3 5.3 5.1 5.9
82 2 12 0 32.689 65.377 1.42626 5.4 1.0 1.0 5.9
83 3 7 -3 32.993 65.985 1.41458 7.0 1.4 1.3 5.9
84 2 12 -1 33.305 66.61 1.40281 7.4 1.4 1.4 5.9
85 5 9 -1 33.386 66.773 1.39979 7.4 1.4 1.4 5.9
86 6 2 1 33.501 67.002 1.39557 14.2 2.8 2.6 5.9
87 7 3 -1 34.059 68.118 1.37538 6.0 1.2 1.1 5.9
88 5 5 -3 34.293 68.586 1.36713 40.9 7.9 7.6 5.9
89 5 1 2 34.587 69.174 1.35694 86.3 16.7 16.0 5.9
90 2 10 2 34.964 69.929 1.34413 13.5 2.6 2.5 5.9
91 1 11 2 35.332 70.665 1.33193 87.9 17.0 16.2 5.9
92 5 3 2 35.486 70.973 1.3269 40.2 7.8 7.4 5.9
93 2 6 3 35.553 71.105 1.32476 44.4 8.6 8.2 5.9
94 5 9 -2 35.599 71.197 1.32327 19.7 3.8 3.6 5.9
95 1 9 -3 35.824 71.647 1.31606 11.6 2.2 2.1 5.9
96 7 5 -1 35.859 71.719 1.31492 60.8 11.8 11.2 5.9
97 1 13 1 36.131 72.261 1.30638 13.2 2.6 2.4 5.9
98 1 1 -4 36.207 72.415 1.30399 51.9 10.1 9.6 5.9
99 6 8 0 36.457 72.914 1.29629 8.7 1.7 1.6 6.0
100 3 9 -3 36.602 73.205 1.29185 10.3 2.0 1.9 6.0
101 2 12 -2 36.701 73.403 1.28886 110.0 21.3 20.2 6.0
102 1 3 -4 37.09 74.18 1.27727 52.7 10.2 9.7 6.0
103 5 5 2 37.257 74.514 1.27237 77.6 15.0 14.2 6.0
104 5 11 0 38.433 76.866 1.23919 5.7 1.1 1.0 6.0
105 2 14 0 38.503 77.006 1.23729 12.0 2.3 2.2 6.0
106 0 10 3 38.687 77.375 1.23231 7.7 1.5 1.4 6.0
107 1 5 -4 38.833 77.667 1.22841 6.1 1.2 1.1 6.0
108 0 4 4 39.012 78.025 1.22366 43.0 8.3 7.8 6.0
109 2 14 -1 39.08 78.159 1.22189 16.9 3.3 3.1 6.0
110 6 10 -1 39.414 78.829 1.21318 5.3 1.0 1.0 6.0
111 6 0 2 39.542 79.084 1.20991 14.1 2.7 2.6 6.0
112 7 7 -2 39.836 79.672 1.20245 8.7 1.7 1.6 6.0
113 5 11 -2 39.967 79.934 1.19916 56.4 10.9 10.2 6.0
114 3 7 3 40.068 80.136 1.19665 6.8 1.3 1.2 6.0
115 1 11 -3 40.183 80.367 1.19379 13.0 2.5 2.3 6.0
116 8 0 0 40.275 80.55 1.19155 20.6 4.0 3.7 6.1
117 6 10 -2 41.128 82.255 1.17111 16.2 3.1 2.9 6.1
118 8 4 -2 41.228 82.456 1.16876 21.8 4.2 3.9 6.1
119 5 11 1 41.672 83.343 1.15856 6.5 1.3 1.2 6.1
120 2 0 4 41.856 83.712 1.15439 43.9 8.5 7.9 6.1
121 1 15 1 42.184 84.368 1.14708 7.8 1.5 1.4 6.1
122 0 14 2 42.311 84.623 1.14428 9.1 1.8 1.6 6.1
123 2 10 3 42.482 84.964 1.14055 19.7 3.8 3.5 6.1
124 7 9 0 43.242 86.484 1.12437 32.0 6.2 5.7 6.1
125 3 9 3 43.473 86.946 1.11958 7.3 1.4 1.3 6.1
126 6 4 -4 43.522 87.044 1.11856 28.8 5.6 5.1 6.1
127 5 13 0 43.562 87.123 1.11775 6.8 1.3 1.2 6.1
128 7 7 -3 43.805 87.61 1.11279 15.9 3.1 2.8 6.2
129 5 3 3 44.102 88.204 1.10682 21.8 4.2 3.9 6.2
130 0 16 1 44.715 89.43 1.0948 12.9 2.5 2.3 6.2
131 1 9 -4 44.798 89.596 1.0932 10.6 2.1 1.9 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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