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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DORFMANITE
1, syn
Na(2)[PO(3)OH].2H(2)O
Orthorhombic P bca Z = 8
Pbca
19 .2 .1907
Ref.Str.:
Catti M., Ferraris G., Franchini-Angela M. (1977)
* Acta Cryst., B33, 3449-3452
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.872 alpha = 90.0
b = 10.359 beta = 90.0
c = 6.599 gamma = 90.0
Unit cell volume (cub. angs.) = 1153.35
Molar volume ( cub.cm/mol.) = 86.84
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.771 0.232 0.8296 0.0 Na = 1.00
2 0.0002 0.1497 0.6423 0.0 Na = 1.00
3 0.6626 0.4829 0.6216 0.0 P = 1.00
4 0.6491 0.521 0.8438 0.0 O = 1.00
5 0.6937 0.3463 0.5998 0.0 O = 1.00
6 0.5903 0.5103 0.4941 0.0 O = 1.00
7 0.732 0.5792 0.5489 0.0 OH = 1.00
8 0.5676 0.1837 0.5504 0.0 H(2)O = 1.00
9 0.8958 0.3206 0.682 0.0 H(2)O = 1.00
10 0.586 0.115 0.491 0.0 H = 1.00
11 0.605 0.23 0.553 0.0 H = 1.00
12 0.901 0.381 0.778 0.0 H = 1.00
13 0.889 0.373 0.566 0.0 H = 1.00
14 0.772 0.536 0.479 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.771 0.232 0.8296
2 2 0.0002 0.1497 0.6423
3 3 0.6626 0.4829 0.6216
4 4 0.6491 0.521 0.8438
5 5 0.6937 0.3463 0.5998
6 6 0.5903 0.5103 0.4941
7 7 0.732 0.5792 0.5489
8 8 0.5676 0.1837 0.5504
9 9 0.8958 0.3206 0.682
10 10 0.586 0.115 0.491
11 11 0.605 0.23 0.553
12 12 0.901 0.381 0.778
13 13 0.889 0.373 0.566
14 14 0.772 0.536 0.479
15 1 0.729 0.768 0.3296
16 2 0.4998 0.8503 0.1423
17 3 0.8374 0.5171 0.1216
18 4 0.8509 0.479 0.3438
19 5 0.8063 0.6537 0.0998
20 6 0.9097 0.4897 0.9941
21 7 0.768 0.4208 0.0489
22 8 0.9324 0.8163 0.0504
23 9 0.6042 0.6794 0.182
24 10 0.914 0.885 0.991
25 11 0.895 0.77 0.053
26 12 0.599 0.619 0.278
27 13 0.611 0.627 0.066
28 14 0.728 0.464 0.979
29 1 0.729 0.732 0.8296
30 2 0.4998 0.6497 0.6423
31 3 0.8374 0.9829 0.6216
32 4 0.8509 0.021 0.8438
33 5 0.8063 0.8463 0.5998
34 6 0.9097 0.0103 0.4941
35 7 0.768 0.0792 0.5489
36 8 0.9324 0.6837 0.5504
37 9 0.6042 0.8206 0.682
38 10 0.914 0.615 0.491
39 11 0.895 0.73 0.553
40 12 0.599 0.881 0.778
41 13 0.611 0.873 0.566
42 14 0.728 0.036 0.479
43 1 0.771 0.268 0.3296
44 2 0.0002 0.3503 0.1423
45 3 0.6626 0.0171 0.1216
46 4 0.6491 0.979 0.3438
47 5 0.6937 0.1537 0.0998
48 6 0.5903 0.9897 0.9941
49 7 0.732 0.9208 0.0489
50 8 0.5676 0.3163 0.0504
51 9 0.8958 0.1794 0.182
52 10 0.586 0.385 0.991
53 11 0.605 0.27 0.053
54 12 0.901 0.119 0.278
55 13 0.889 0.127 0.066
56 14 0.772 0.964 0.979
57 1 0.271 0.232 0.6704
58 2 0.5002 0.1497 0.8577
59 3 0.1626 0.4829 0.8784
60 4 0.1491 0.521 0.6562
61 5 0.1937 0.3463 0.9002
62 6 0.0903 0.5103 0.0059
63 7 0.232 0.5792 0.9511
64 8 0.0676 0.1837 0.9496
65 9 0.3958 0.3206 0.818
66 10 0.086 0.115 0.009
67 11 0.105 0.23 0.947
68 12 0.401 0.381 0.722
69 13 0.389 0.373 0.934
70 14 0.272 0.536 0.021
71 1 0.229 0.768 0.1704
72 2 0.9998 0.8503 0.3577
73 3 0.3374 0.5171 0.3784
74 4 0.3509 0.479 0.1562
75 5 0.3063 0.6537 0.4002
76 6 0.4097 0.4897 0.5059
77 7 0.268 0.4208 0.4511
78 8 0.4324 0.8163 0.4496
79 9 0.1042 0.6794 0.318
80 10 0.414 0.885 0.509
81 11 0.395 0.77 0.447
82 12 0.099 0.619 0.222
83 13 0.111 0.627 0.434
84 14 0.228 0.464 0.521
85 1 0.229 0.732 0.6704
86 2 0.9998 0.6497 0.8577
87 3 0.3374 0.9829 0.8784
88 4 0.3509 0.021 0.6562
89 5 0.3063 0.8463 0.9002
90 6 0.4097 0.0103 0.0059
91 7 0.268 0.0792 0.9511
92 8 0.4324 0.6837 0.9496
93 9 0.1042 0.8206 0.818
94 10 0.414 0.615 0.009
95 11 0.395 0.73 0.947
96 12 0.099 0.881 0.722
97 13 0.111 0.873 0.934
98 14 0.228 0.036 0.021
99 1 0.271 0.268 0.1704
100 2 0.5002 0.3503 0.3577
101 3 0.1626 0.0171 0.3784
102 4 0.1491 0.979 0.1562
103 5 0.1937 0.1537 0.4002
104 6 0.0903 0.9897 0.5059
105 7 0.232 0.9208 0.4511
106 8 0.0676 0.3163 0.4496
107 9 0.3958 0.1794 0.318
108 10 0.086 0.385 0.509
109 11 0.105 0.27 0.447
110 12 0.401 0.119 0.222
111 13 0.389 0.127 0.434
112 14 0.272 0.964 0.521
X-ray density (g/cm cub.) = 2.11
MU (1/cm) = 55.766 Mass attenuation coefficient (cm**2/g) = 26.462
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.976 6
2.3251 5
2.4944 9
2.4335 7
2.5691 4
2.4371 7
2.3535 5
2 Na 2.976 5
2.511 9
2.3183 6
2.3514 8
2.4225 6
2.4263 8
3 P 2.4 4
1.5351 4
1.5166 5
1.5083 6
1.6117 7
4 O 3.432 8
2.5365 5
2.5143 6
2.4712 7
3.4319 5
2.6332 7
2.8718 9
3.3684 9
2.8716 8
5 O 3.432 7
2.5365 4
2.533 6
2.5201 7
2.7331 8
3.4319 4
3.3091 7
3.0561 7
6 O 3.432 6
2.5143 4
2.533 5
2.5211 7
3.4251 8
2.7139 9
3.0555 6
7 OH 3.48 8
2.4712 4
2.5201 5
2.5211 6
2.6332 4
3.3091 5
3.4042 9
3.0561 5
3.4167 9
8 H(2)O 3.6 8
2.7331 5
3.4251 6
3.5502 7
2.8716 4
3.5719 6
3.574 8
3.574 8
3.2796 9
9 H(2)O 3.6 8
3.463 5
2.8718 4
2.7139 6
3.4042 7
3.3684 4
3.4532 6
3.4167 7
3.2796 8
10 H 1.8 1
0.8698 8
11 H 1.8 1
0.7928 8
12 H 1.8 1
0.8947 9
13 H 1.8 1
0.9454 9
14 H 1.8 2
0.9319 7
1.7078 4
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 2 0 0 5.239 10.478 0.059 236.91 2 91.1 295.3
2 2 1 0 6.763 13.525 0.076 141.27 4 5.1 1.1
3 1 1 1 8.38 16.76 0.095 91.23 8 77.3 327.8
4 0 2 0 8.553 17.105 0.097 87.49 2 54.3 38.7
5 2 1 1 9.544 19.088 0.108 69.83 8 92.5 359.6
6 2 2 0 10.05 20.1 0.113 62.76 4 45.9 39.7
7 4 0 0 10.522 21.045 0.119 57.06 2 11.1 1.1
8 0 2 1 10.898 21.795 0.123 53.06 4 16.6 4.4
9 1 2 1 11.215 22.43 0.126 49.98 8 10.5 3.3
10 3 1 1 11.228 22.456 0.126 49.86 8 56.5 95.6
11 4 1 0 11.372 22.744 0.128 48.55 4 24.4 8.7
12 2 2 1 12.119 24.239 0.136 42.5 8 49.8 63.4
13 4 1 1 13.246 26.492 0.149 35.24 8 126.7 340.1
14 0 0 2 13.5 27.001 0.152 33.85 2 61.3 19.1
15 3 2 1 13.501 27.001 0.152 33.85 8 10.7 2.3
16 4 2 0 13.622 27.244 0.153 33.21 4 148.3 219.6
17 1 0 2 13.761 27.522 0.154 32.5 4 92.9 84.3
18 2 3 0 13.948 27.896 0.156 31.59 4 4.9 0.2
19 1 1 2 14.432 28.864 0.162 29.37 8 29.0 14.9
20 2 0 2 14.517 29.035 0.163 29.01 4 10.9 1.0
21 1 3 1 14.825 29.651 0.166 27.73 8 67.6 76.2
22 2 1 2 15.157 30.315 0.17 26.45 8 77.4 95.4
23 4 2 1 15.239 30.479 0.171 26.14 8 105.4 174.5
24 5 1 1 15.483 30.966 0.173 25.27 8 68.8 72.0
25 2 3 1 15.534 31.069 0.174 25.09 8 121.6 223.0
26 3 0 2 15.704 31.408 0.176 24.51 4 60.7 27.2
27 6 0 0 15.898 31.796 0.178 23.87 2 4.6 0.1
28 0 2 2 16.069 32.138 0.18 23.32 4 85.7 51.5
29 1 2 2 16.292 32.585 0.182 22.64 8 69.2 65.2
30 3 1 2 16.302 32.603 0.182 22.61 8 100.8 138.3
31 6 1 0 16.489 32.979 0.184 22.05 4 29.9 5.9
32 3 3 1 16.655 33.311 0.186 21.58 8 52.9 36.3
33 4 3 0 16.756 33.511 0.187 21.3 4 55.6 19.8
34 2 2 2 16.946 33.892 0.189 20.78 8 40.3 20.3
35 4 0 2 17.241 34.482 0.192 20.02 4 7.6 0.3
36 5 2 1 17.241 34.482 0.192 20.02 8 87.5 92.3
37 0 4 0 17.304 34.607 0.193 19.86 2 94.9 26.9
38 4 1 2 17.793 35.586 0.198 18.69 8 25.5 7.3
39 6 1 1 17.873 35.745 0.199 18.5 8 6.3 0.4
40 3 2 2 17.989 35.978 0.2 18.24 8 106.2 123.7
41 4 3 1 18.121 36.242 0.202 17.95 8 4.3 0.2
42 2 4 0 18.128 36.255 0.202 17.94 4 109.3 64.5
43 6 2 0 18.161 36.323 0.202 17.86 4 115.6 71.8
44 0 4 1 18.634 37.268 0.207 16.88 4 8.6 0.4
45 1 4 1 18.83 37.66 0.21 16.5 8 45.5 20.6
46 1 3 2 19.033 38.066 0.212 16.11 8 7.5 0.6
47 5 0 2 19.057 38.114 0.212 16.07 4 53.4 13.8
48 4 2 2 19.367 38.733 0.215 15.5 8 27.9 7.3
49 2 4 1 19.409 38.818 0.216 15.43 8 23.6 5.1
50 6 2 1 19.441 38.882 0.216 15.37 8 32.2 9.6
51 5 1 2 19.565 39.129 0.217 15.16 8 27.1 6.7
52 2 3 2 19.607 39.213 0.218 15.09 8 27.9 7.1
53 5 3 1 19.868 39.735 0.221 14.65 8 126.3 140.5
54 3 4 1 20.343 40.686 0.226 13.9 8 78.4 51.4
55 7 1 1 20.381 40.762 0.226 13.84 8 1.3 0.0
56 4 4 0 20.427 40.855 0.227 13.77 4 105.4 46.0
57 3 3 2 20.533 41.066 0.228 13.61 8 43.1 15.2
58 6 3 0 20.687 41.375 0.229 13.39 4 27.9 3.1
59 5 2 2 21.025 42.051 0.233 12.91 8 7.5 0.4
60 6 0 2 21.095 42.189 0.234 12.82 4 72.4 20.2
61 1 1 3 21.155 42.309 0.234 12.74 8 2.7 0.1
62 8 0 0 21.422 42.844 0.237 12.38 2 51.1 4.9
63 6 1 2 21.562 43.125 0.239 12.2 8 20.6 3.1
64 4 4 1 21.594 43.188 0.239 12.16 8 66.6 32.4
65 2 1 3 21.682 43.363 0.24 12.05 8 70.9 36.5
66 4 3 2 21.775 43.55 0.241 11.94 8 5.3 0.2
67 7 2 1 21.797 43.593 0.241 11.91 8 40.9 12.0
68 6 3 1 21.842 43.685 0.242 11.85 8 78.5 44.0
69 8 1 0 21.884 43.768 0.242 11.8 4 85.6 26.0
70 0 4 2 22.217 44.433 0.245 11.41 4 9.5 0.3
71 0 2 3 22.362 44.723 0.247 11.24 4 37.2 4.7
72 1 4 2 22.387 44.774 0.247 11.21 8 53.6 19.3
73 2 5 0 22.51 45.02 0.249 11.08 4 28.3 2.7
74 1 2 3 22.531 45.062 0.249 11.05 8 90.3 54.2
75 3 1 3 22.538 45.076 0.249 11.04 8 33.4 7.4
76 2 4 2 22.891 45.782 0.252 10.66 8 74.3 35.4
77 6 2 2 22.919 45.838 0.253 10.63 8 73.5 34.6
78 8 1 1 22.99 45.981 0.254 10.56 8 80.4 41.0
79 2 2 3 23.033 46.065 0.254 10.52 8 51.0 16.4
80 1 5 1 23.101 46.202 0.255 10.45 8 4.1 0.1
81 5 4 1 23.122 46.243 0.255 10.42 8 39.0 9.6
82 8 2 0 23.226 46.451 0.256 10.32 4 27.1 2.3
83 5 3 2 23.293 46.587 0.257 10.25 8 44.0 11.9
84 7 0 2 23.314 46.628 0.257 10.23 4 66.7 13.7
85 2 5 1 23.593 47.186 0.26 9.96 8 38.3 8.8
86 4 1 3 23.696 47.391 0.261 9.86 8 94.4 52.9
87 3 4 2 23.713 47.426 0.261 9.84 8 51.1 15.4
88 7 1 2 23.747 47.493 0.261 9.81 8 106.9 67.4
89 3 2 3 23.851 47.701 0.262 9.72 8 14.2 1.2
90 6 4 0 23.851 47.701 0.262 9.72 4 19.5 1.1
91 7 3 1 24.007 48.013 0.264 9.57 8 71.1 29.1
92 8 2 1 24.284 48.569 0.267 9.33 8 58.8 19.4
93 3 5 1 24.397 48.794 0.268 9.23 8 27.7 4.3
94 4 5 0 24.47 48.941 0.269 9.17 4 37.4 3.9
95 1 3 3 24.689 49.379 0.271 8.98 8 71.5 27.6
96 4 4 2 24.828 49.657 0.273 8.87 8 43.7 10.2
97 6 4 1 24.889 49.778 0.273 8.82 8 32.7 5.7
98 4 2 3 24.962 49.923 0.274 8.76 8 36.9 7.2
99 7 2 2 25.011 50.021 0.274 8.72 8 18.9 1.9
100 6 3 2 25.052 50.104 0.275 8.69 8 37.6 7.4
101 5 1 3 25.124 50.247 0.276 8.63 8 84.5 37.0
102 2 3 3 25.158 50.316 0.276 8.61 8 41.5 8.9
103 8 3 0 25.339 50.678 0.278 8.47 4 9.3 0.2
104 4 5 1 25.49 50.98 0.279 8.35 8 83.3 34.8
105 8 0 2 25.688 51.376 0.281 8.21 4 69.2 11.8
106 9 1 1 25.694 51.389 0.281 8.2 8 15.6 1.2
107 3 3 3 25.926 51.851 0.284 8.04 8 76.6 28.4
108 8 1 2 26.091 52.183 0.285 7.92 8 44.5 9.4
109 1 5 2 26.192 52.384 0.287 7.85 8 86.1 35.0
110 5 4 2 26.211 52.421 0.287 7.84 8 71.0 23.8
111 8 3 1 26.334 52.668 0.288 7.76 8 60.1 16.8
112 5 2 3 26.339 52.678 0.288 7.75 8 17.9 1.5
113 0 6 0 26.497 52.994 0.29 7.65 2 166.3 31.8
114 2 5 2 26.641 53.283 0.291 7.55 8 26.5 3.2
115 6 1 3 26.793 53.586 0.293 7.46 8 11.1 0.6
116 5 5 1 26.848 53.696 0.293 7.42 8 9.7 0.4
117 7 4 1 26.866 53.733 0.293 7.41 8 58.4 15.2
118 9 2 1 26.891 53.782 0.294 7.39 8 12.8 0.7
119 4 3 3 26.974 53.948 0.294 7.34 8 2.3 0.0
120 7 3 2 27.02 54.041 0.295 7.31 8 59.2 15.4
121 2 6 0 27.091 54.181 0.296 7.27 4 101.7 22.6
122 10 0 0 27.164 54.329 0.296 7.23 2 28.8 0.9
123 8 2 2 27.276 54.551 0.297 7.16 8 44.2 8.4
124 0 4 3 27.352 54.703 0.298 7.11 4 25.4 1.4
125 3 5 2 27.379 54.759 0.299 7.1 8 7.1 0.2
126 0 6 1 27.463 54.925 0.299 7.05 4 1.4 0.0
127 1 4 3 27.498 54.995 0.3 7.03 8 3.2 0.0
128 6 5 0 27.504 55.007 0.3 7.03 4 90.8 17.4
129 10 1 0 27.552 55.105 0.3 7.0 4 118.6 29.6
130 1 6 1 27.608 55.216 0.301 6.96 8 22.7 2.2
131 0 0 4 27.834 55.667 0.303 6.84 2 138.4 19.7
132 6 4 2 27.834 55.668 0.303 6.84 8 5.0 0.1
133 2 4 3 27.933 55.865 0.304 6.78 8 65.4 17.4
134 6 2 3 27.957 55.914 0.304 6.77 8 39.2 6.3
135 1 0 4 27.978 55.956 0.305 6.76 4 115.6 27.2
136 2 6 1 28.042 56.084 0.305 6.72 8 54.3 11.9
137 8 4 0 28.101 56.202 0.306 6.69 4 21.2 0.9
138 9 0 2 28.202 56.404 0.307 6.64 4 66.9 8.9
139 5 3 3 28.282 56.564 0.308 6.59 8 14.3 0.8
140 1 1 4 28.359 56.717 0.308 6.55 8 62.6 15.5
141 4 5 2 28.39 56.781 0.309 6.54 8 29.8 3.5
142 2 0 4 28.408 56.817 0.309 6.53 4 38.6 2.9
143 6 5 1 28.446 56.892 0.309 6.51 8 6.8 0.2
144 10 1 1 28.494 56.987 0.31 6.48 8 23.4 2.1
145 9 1 2 28.58 57.161 0.311 6.44 8 51.8 10.4
146 3 4 3 28.648 57.296 0.311 6.4 8 24.0 2.2
147 7 1 3 28.678 57.355 0.311 6.39 8 54.6 11.4
148 10 2 0 28.696 57.391 0.312 6.38 4 86.7 14.4
149 3 6 1 28.756 57.512 0.312 6.35 8 20.7 1.6
150 2 1 4 28.785 57.57 0.313 6.34 8 3.3 0.0
151 9 3 1 28.809 57.618 0.313 6.32 8 56.9 12.3
152 4 6 0 28.821 57.643 0.313 6.32 4 111.7 23.7
153 8 4 1 29.03 58.061 0.315 6.22 8 7.0 0.2
154 3 0 4 29.116 58.232 0.316 6.17 4 73.2 9.9
155 8 3 2 29.177 58.353 0.316 6.15 8 58.2 12.5
156 0 2 4 29.342 58.684 0.318 6.07 4 8.6 0.1
157 1 2 4 29.481 58.963 0.319 6.0 8 16.8 1.0
158 3 1 4 29.487 58.975 0.32 6.0 8 28.3 2.9
159 10 2 1 29.613 59.226 0.321 5.94 8 8.7 0.3
160 4 4 3 29.631 59.262 0.321 5.94 8 32.2 3.7
161 5 5 2 29.657 59.315 0.321 5.92 8 42.1 6.3
162 7 4 2 29.675 59.349 0.321 5.92 8 59.5 12.6
163 9 2 2 29.698 59.396 0.322 5.91 8 40.2 5.8
164 4 6 1 29.736 59.473 0.322 5.89 8 12.4 0.5
165 7 2 3 29.793 59.586 0.323 5.86 8 25.1 2.2
166 6 3 3 29.829 59.659 0.323 5.85 8 13.5 0.6
167 2 2 4 29.898 59.796 0.324 5.82 8 26.2 2.4
168 4 0 4 30.089 60.179 0.325 5.74 4 22.2 0.9
169 0 6 2 30.234 60.469 0.327 5.67 4 20.0 0.7
170 7 5 1 30.263 60.526 0.327 5.66 8 46.3 7.3
171 1 6 2 30.371 60.743 0.328 5.62 8 88.5 26.4
172 4 1 4 30.453 60.906 0.329 5.58 8 24.1 2.0
173 10 3 0 30.539 61.079 0.33 5.55 4 14.5 0.4
174 3 2 4 30.584 61.168 0.33 5.53 8 32.1 3.4
175 8 1 3 30.759 61.517 0.332 5.46 8 34.0 3.8
176 2 6 2 30.781 61.561 0.332 5.45 8 7.3 0.2
177 10 0 2 30.848 61.697 0.333 5.43 4 0.4 0.0
178 1 5 3 30.849 61.698 0.333 5.43 8 25.7 2.2
179 5 4 3 30.866 61.732 0.333 5.42 8 42.3 5.8
180 5 6 1 30.969 61.938 0.334 5.38 8 46.6 7.0
181 6 5 2 31.162 62.324 0.336 5.31 8 0.2 0.0
182 10 1 2 31.207 62.414 0.336 5.29 8 1.3 0.0
183 2 5 3 31.254 62.509 0.337 5.27 8 27.4 2.4
184 1 3 4 31.297 62.593 0.337 5.26 8 9.6 0.3
185 5 0 4 31.314 62.627 0.337 5.25 4 55.6 4.9
186 9 4 1 31.366 62.732 0.338 5.23 8 3.3 0.0
187 11 1 1 31.394 62.788 0.338 5.22 8 56.6 10.0
188 8 5 0 31.411 62.823 0.338 5.21 4 69.5 7.6
189 10 3 1 31.424 62.847 0.338 5.21 8 37.0 4.3
190 3 6 2 31.455 62.911 0.339 5.2 8 0.6 0.0
191 9 3 2 31.506 63.011 0.339 5.18 8 87.8 24.0
192 4 2 4 31.53 63.06 0.339 5.17 8 75.2 17.6
193 6 6 0 31.57 63.139 0.34 5.16 4 113.0 19.8
194 7 3 3 31.597 63.195 0.34 5.15 8 17.7 1.0
195 5 1 4 31.669 63.338 0.341 5.12 8 42.8 5.6
196 2 3 4 31.699 63.398 0.341 5.11 8 30.3 2.8
197 8 4 2 31.716 63.431 0.341 5.1 8 6.1 0.1
198 8 2 3 31.829 63.658 0.342 5.06 8 47.3 6.8
199 2 7 0 31.901 63.803 0.343 5.04 4 21.4 0.7
200 3 5 3 31.923 63.847 0.343 5.03 8 4.1 0.1
201 10 2 2 32.269 64.539 0.347 4.92 8 36.9 4.0
202 8 5 1 32.282 64.564 0.347 4.91 8 58.8 10.2
203 6 4 3 32.338 64.676 0.347 4.89 8 13.0 0.5
204 3 3 4 32.363 64.726 0.347 4.89 8 2.8 0.0
205 1 7 1 32.37 64.74 0.348 4.88 8 76.7 17.3
206 4 6 2 32.387 64.773 0.348 4.88 8 8.5 0.2
207 6 6 1 32.438 64.876 0.348 4.86 8 51.9 7.9
208 11 2 1 32.453 64.906 0.348 4.86 8 39.1 4.5
209 5 2 4 32.723 65.446 0.351 4.77 8 65.5 12.3
210 2 7 1 32.765 65.53 0.351 4.76 8 43.5 5.4
211 6 0 4 32.774 65.548 0.351 4.75 4 167.1 39.9
212 4 5 3 32.848 65.695 0.352 4.73 8 51.8 7.6
213 7 5 2 32.889 65.778 0.352 4.72 8 87.6 21.8
214 10 4 0 33.017 66.034 0.354 4.68 4 118.1 19.6
215 9 1 3 33.022 66.044 0.354 4.68 8 42.8 5.1
216 6 1 4 33.121 66.243 0.355 4.65 8 2.1 0.0
217 12 0 0 33.22 66.44 0.356 4.62 2 148.0 15.2
218 4 3 4 33.281 66.561 0.356 4.6 8 24.5 1.7
219 3 7 1 33.418 66.836 0.357 4.56 8 13.7 0.5
220 4 7 0 33.478 66.956 0.358 4.54 4 55.9 4.3
221 5 6 2 33.564 67.128 0.359 4.52 8 15.2 0.6
222 12 1 0 33.564 67.129 0.359 4.52 4 34.3 1.6
223 8 3 3 33.572 67.143 0.359 4.52 8 58.5 9.3
224 0 4 4 33.614 67.228 0.359 4.51 4 21.2 0.6
225 11 0 2 33.629 67.257 0.359 4.5 4 23.9 0.8
226 1 4 4 33.744 67.487 0.361 4.47 8 34.6 3.2
227 10 4 1 33.866 67.731 0.362 4.44 8 17.4 0.8
228 9 4 2 33.944 67.889 0.362 4.41 8 1.6 0.0
229 11 1 2 33.971 67.943 0.363 4.41 8 69.0 12.6
230 10 3 2 34.0 68.0 0.363 4.4 8 38.4 3.9
231 5 5 3 34.017 68.033 0.363 4.39 8 46.8 5.8
232 7 4 3 34.033 68.065 0.363 4.39 8 32.2 2.7
233 9 2 3 34.054 68.108 0.363 4.38 8 7.3 0.1
234 2 4 4 34.13 68.261 0.364 4.36 8 85.3 19.1
235 7 6 1 34.13 68.261 0.364 4.36 8 12.6 0.4
236 6 2 4 34.152 68.303 0.364 4.36 8 101.7 27.1
237 11 3 1 34.179 68.357 0.365 4.35 8 1.4 0.0
238 4 7 1 34.321 68.642 0.366 4.31 8 28.8 2.2
239 12 1 1 34.407 68.813 0.367 4.29 8 49.1 6.2
240 5 3 4 34.442 68.884 0.367 4.28 8 36.4 3.4
241 7 0 4 34.458 68.916 0.367 4.28 4 7.6 0.1
242 9 5 1 34.492 68.984 0.368 4.27 8 43.9 4.9
243 0 6 3 34.553 69.106 0.368 4.25 4 8.9 0.1
244 12 2 0 34.588 69.177 0.368 4.25 4 76.9 7.5
245 1 6 3 34.681 69.361 0.369 4.22 8 84.3 18.1
246 3 4 4 34.77 69.541 0.37 4.2 8 16.7 0.7
247 7 1 4 34.797 69.594 0.37 4.19 8 23.6 1.4
248 8 5 2 34.825 69.65 0.371 4.19 8 20.0 1.0
249 1 7 2 34.91 69.82 0.371 4.17 8 20.2 1.0
250 6 6 2 34.975 69.951 0.372 4.15 8 31.5 2.5
251 11 2 2 34.99 69.979 0.372 4.15 8 57.2 8.1
252 2 6 3 35.062 70.125 0.373 4.13 8 0.8 0.0
253 8 6 0 35.211 70.421 0.374 4.1 4 41.0 2.1
254 2 7 2 35.291 70.582 0.375 4.08 8 28.0 1.9
255 12 2 1 35.419 70.838 0.376 4.05 8 37.1 3.3
256 6 5 3 35.42 70.839 0.376 4.05 8 31.4 2.4
257 10 1 3 35.462 70.924 0.377 4.04 8 13.5 0.4
258 5 7 1 35.467 70.933 0.377 4.04 8 32.0 2.5
259 4 4 4 35.658 71.315 0.378 3.99 8 51.8 6.4
260 3 6 3 35.695 71.39 0.379 3.99 8 7.9 0.2
261 9 3 3 35.742 71.484 0.379 3.97 8 29.1 2.0
262 7 2 4 35.805 71.609 0.38 3.96 8 6.1 0.1
263 6 3 4 35.838 71.675 0.38 3.95 8 22.5 1.2
264 3 7 2 35.922 71.843 0.381 3.94 8 64.2 9.8
265 8 4 3 35.94 71.879 0.381 3.93 8 8.2 0.2
266 6 7 0 36.029 72.057 0.382 3.91 4 80.5 7.6
267 8 6 1 36.035 72.07 0.382 3.91 8 10.5 0.3
268 10 5 0 36.07 72.141 0.382 3.9 4 44.2 2.3
269 1 1 5 36.166 72.331 0.383 3.88 8 26.8 1.7
270 12 3 0 36.265 72.531 0.384 3.86 4 3.1 0.0
271 8 0 4 36.355 72.71 0.385 3.85 4 26.4 0.8
272 10 4 2 36.355 72.71 0.385 3.85 8 43.4 4.4
273 10 2 3 36.462 72.923 0.386 3.82 8 3.9 0.0
274 0 8 0 36.503 73.006 0.386 3.82 2 62.9 2.3
275 11 4 1 36.529 73.058 0.386 3.81 8 57.4 7.5
276 2 1 5 36.541 73.082 0.386 3.81 8 62.7 9.0
277 12 0 2 36.55 73.099 0.387 3.81 4 21.4 0.5
278 4 6 3 36.573 73.145 0.387 3.8 8 1.0 0.0
279 7 6 2 36.612 73.224 0.387 3.79 8 29.8 2.0
280 11 3 2 36.659 73.317 0.388 3.79 8 42.2 4.1
281 8 1 4 36.686 73.373 0.388 3.78 8 16.7 0.6
282 1 5 4 36.769 73.539 0.389 3.76 8 55.2 6.9
283 5 4 4 36.785 73.57 0.389 3.76 8 0.0 0.0
284 4 7 2 36.797 73.594 0.389 3.76 8 12.9 0.4
285 6 7 1 36.845 73.691 0.389 3.75 8 25.7 1.5
286 12 1 2 36.88 73.76 0.39 3.74 8 12.5 0.3
287 10 5 1 36.887 73.774 0.39 3.74 8 9.0 0.2
288 9 5 2 36.963 73.926 0.39 3.73 8 46.7 4.9
289 2 8 0 37.001 74.003 0.391 3.72 4 32.3 1.2
290 0 2 5 37.034 74.067 0.391 3.71 4 2.0 0.0
291 7 5 3 37.048 74.096 0.391 3.71 8 21.4 1.0
292 12 3 1 37.08 74.161 0.391 3.7 8 14.6 0.5
293 2 5 4 37.142 74.284 0.392 3.69 8 13.6 0.4
294 1 2 5 37.158 74.315 0.392 3.69 8 18.6 0.8
295 3 1 5 37.163 74.326 0.392 3.69 8 60.7 8.2
296 0 8 1 37.316 74.632 0.394 3.66 4 41.2 1.9
297 1 8 1 37.44 74.88 0.395 3.64 8 52.2 6.0
298 7 3 4 37.459 74.918 0.395 3.64 8 7.6 0.1
299 2 2 5 37.529 75.058 0.395 3.62 8 41.9 3.8
300 13 1 1 37.548 75.097 0.396 3.62 8 51.2 5.7
301 8 2 4 37.673 75.347 0.397 3.6 8 32.9 2.3
302 5 6 3 37.689 75.379 0.397 3.6 8 6.6 0.1
303 3 5 4 37.761 75.521 0.397 3.58 8 20.3 0.9
304 2 8 1 37.81 75.621 0.398 3.58 8 88.0 16.7
305 12 2 2 37.865 75.731 0.398 3.57 8 22.5 1.1
306 5 7 2 37.911 75.823 0.399 3.56 8 9.7 0.2
307 4 1 5 38.028 76.055 0.4 3.54 8 26.6 1.5
308 9 4 3 38.052 76.104 0.4 3.54 8 30.7 2.0
309 11 1 3 38.078 76.156 0.4 3.53 8 38.5 3.2
310 10 3 3 38.105 76.21 0.401 3.53 8 35.9 2.7
311 3 2 5 38.145 76.291 0.401 3.52 8 15.1 0.5
312 6 4 4 38.146 76.291 0.401 3.52 8 33.8 2.4
313 9 6 1 38.146 76.291 0.401 3.52 8 40.4 3.5
314 3 8 1 38.425 76.85 0.403 3.48 8 12.8 0.3
315 7 7 1 38.451 76.902 0.404 3.47 8 13.0 0.4
316 9 0 4 38.459 76.919 0.404 3.47 4 25.3 0.7
317 8 6 2 38.466 76.932 0.404 3.47 8 45.9 4.4
318 4 8 0 38.482 76.964 0.404 3.47 4 5.2 0.0
319 13 2 1 38.527 77.055 0.404 3.46 8 14.9 0.5
320 12 4 0 38.564 77.128 0.405 3.45 4 46.6 2.3
321 4 5 4 38.621 77.242 0.405 3.45 8 15.8 0.5
322 9 1 4 38.784 77.568 0.407 3.42 8 27.7 1.6
323 1 3 5 38.791 77.582 0.407 3.42 8 27.2 1.5
324 8 5 3 38.895 77.79 0.408 3.4 8 57.3 6.7
325 11 4 2 38.949 77.898 0.408 3.4 8 48.2 4.8
326 1 7 3 38.976 77.953 0.408 3.39 8 33.2 2.2
327 4 2 5 39.003 78.006 0.409 3.39 8 38.4 3.0
328 6 6 3 39.039 78.078 0.409 3.38 8 43.0 3.8
329 11 2 3 39.053 78.106 0.409 3.38 8 10.1 0.2
330 5 1 5 39.13 78.26 0.41 3.37 8 54.1 5.9
331 2 3 5 39.157 78.314 0.41 3.37 8 47.3 4.5
332 6 7 2 39.259 78.518 0.411 3.35 8 5.8 0.1
333 4 8 1 39.281 78.562 0.411 3.35 8 11.6 0.3
334 8 3 4 39.299 78.599 0.411 3.35 8 15.0 0.5
335 10 5 2 39.299 78.599 0.411 3.35 8 23.6 1.1
336 2 7 3 39.342 78.684 0.412 3.34 8 43.9 3.9
337 12 4 1 39.362 78.724 0.412 3.34 8 40.0 3.2
338 11 5 1 39.469 78.937 0.413 3.32 8 64.8 8.4
339 8 7 0 39.484 78.969 0.413 3.32 4 10.2 0.1
340 12 3 2 39.489 78.978 0.413 3.32 8 37.3 2.8
341 13 0 2 39.626 79.251 0.414 3.3 4 55.5 3.1
342 10 6 0 39.668 79.337 0.414 3.3 4 48.8 2.4
343 5 5 4 39.718 79.437 0.415 3.29 8 42.5 3.6
344 0 8 2 39.72 79.44 0.415 3.29 4 15.0 0.2
345 14 0 0 39.729 79.459 0.415 3.29 2 54.7 1.5
346 7 4 4 39.734 79.467 0.415 3.29 8 17.3 0.6
347 9 2 4 39.754 79.508 0.415 3.29 8 18.8 0.7
348 3 3 5 39.766 79.531 0.415 3.28 8 26.4 1.4
349 1 8 2 39.842 79.683 0.416 3.27 8 18.4 0.7
350 13 1 2 39.948 79.896 0.417 3.26 8 3.6 0.0
351 3 7 3 39.95 79.9 0.417 3.26 8 0.1 0.0
352 14 1 0 40.051 80.102 0.418 3.25 4 78.1 6.0
353 5 2 5 40.098 80.195 0.418 3.24 8 13.0 0.3
354 13 3 1 40.143 80.286 0.418 3.24 8 40.4 3.2
355 2 8 2 40.205 80.411 0.419 3.23 8 23.7 1.1
356 0 6 4 40.225 80.451 0.419 3.23 4 78.8 6.0
357 8 7 1 40.278 80.555 0.42 3.22 8 65.2 8.2
358 1 6 4 40.346 80.693 0.42 3.21 8 34.7 2.3
359 10 4 3 40.369 80.738 0.42 3.21 8 7.5 0.1
360 5 8 1 40.373 80.747 0.42 3.21 8 52.9 5.4
361 10 6 1 40.461 80.922 0.421 3.2 8 25.5 1.2
362 6 1 5 40.466 80.932 0.421 3.2 8 23.8 1.1
363 9 6 2 40.535 81.069 0.422 3.19 8 28.8 1.6
364 4 3 5 40.614 81.227 0.423 3.18 8 47.7 4.3
365 7 6 3 40.617 81.235 0.423 3.18 8 14.1 0.4
366 11 3 3 40.663 81.326 0.423 3.18 8 42.5 3.4
367 2 6 4 40.709 81.418 0.423 3.17 8 12.4 0.3
368 10 0 4 40.77 81.539 0.424 3.16 4 18.9 0.3
369 4 7 3 40.797 81.594 0.424 3.16 8 38.8 2.9
370 3 8 2 40.81 81.62 0.424 3.16 8 1.3 0.0
371 7 7 2 40.835 81.67 0.424 3.16 8 30.8 1.8
372 14 1 1 40.842 81.684 0.425 3.16 8 51.2 5.0
373 12 1 3 40.878 81.755 0.425 3.15 8 14.7 0.4
374 13 2 2 40.911 81.821 0.425 3.15 8 38.9 2.9
375 6 8 0 40.913 81.825 0.425 3.15 4 68.3 4.4
376 0 4 5 40.924 81.847 0.425 3.15 4 27.2 0.7
377 9 5 3 40.958 81.916 0.425 3.14 8 69.5 9.1
378 14 2 0 41.013 82.027 0.426 3.14 4 14.0 0.2
379 1 4 5 41.044 82.089 0.426 3.13 8 28.3 1.5
380 6 5 4 41.049 82.099 0.426 3.13 8 23.9 1.1
381 10 1 4 41.09 82.179 0.427 3.13 8 19.6 0.7
382 3 6 4 41.312 82.624 0.429 3.11 8 39.9 3.0
383 9 3 4 41.357 82.715 0.429 3.1 8 20.3 0.8
384 2 4 5 41.406 82.811 0.429 3.1 8 32.6 2.0
385 6 2 5 41.426 82.852 0.429 3.09 8 63.2 7.4
386 12 5 0 41.46 82.92 0.43 3.09 4 53.5 2.7
387 8 4 4 41.546 83.092 0.431 3.08 8 18.5 0.6
388 4 8 2 41.653 83.306 0.431 3.07 8 46.5 4.0
389 5 3 5 41.698 83.396 0.432 3.07 8 19.9 0.7
390 6 8 1 41.7 83.4 0.432 3.07 8 34.5 2.2
391 12 4 2 41.733 83.467 0.432 3.06 8 26.4 1.3
392 14 2 1 41.8 83.6 0.433 3.06 8 63.1 7.3
393 12 2 3 41.836 83.671 0.433 3.05 8 26.3 1.3
394 11 5 2 41.838 83.677 0.433 3.05 8 11.1 0.2
395 5 7 3 41.881 83.761 0.433 3.05 8 97.3 17.4
396 3 4 5 42.007 84.014 0.434 3.04 8 20.0 0.7
397 7 1 5 42.032 84.064 0.435 3.04 8 43.2 3.4
398 10 2 4 42.047 84.094 0.435 3.03 8 89.6 14.7
399 4 6 4 42.154 84.307 0.436 3.02 8 0.9 0.0
400 12 5 1 42.245 84.491 0.436 3.02 8 47.9 4.2
401 9 7 1 42.325 84.651 0.437 3.01 8 2.6 0.0
402 13 4 1 42.38 84.761 0.438 3.0 8 16.3 0.5
403 8 6 3 42.422 84.845 0.438 3.0 8 18.0 0.6
404 2 9 0 42.487 84.975 0.438 3.0 4 22.4 0.5
405 13 3 2 42.505 85.01 0.439 2.99 8 45.3 3.7
406 14 3 0 42.607 85.215 0.439 2.99 4 24.9 0.6
407 7 5 4 42.612 85.223 0.439 2.98 8 28.7 1.5
408 8 7 2 42.638 85.277 0.44 2.98 8 9.4 0.2
409 5 8 2 42.733 85.466 0.44 2.98 8 60.3 6.5
410 10 6 2 42.82 85.639 0.441 2.97 8 3.6 0.0
411 4 4 5 42.846 85.692 0.441 2.97 8 66.6 7.9
412 14 0 2 42.88 85.759 0.442 2.96 4 4.7 0.0
413 11 4 3 42.895 85.79 0.442 2.96 8 34.0 2.1
414 1 9 1 42.911 85.822 0.442 2.96 8 17.8 0.6
415 7 2 5 42.986 85.972 0.443 2.96 8 36.1 2.3
416 11 6 1 42.986 85.972 0.443 2.96 8 24.3 1.0
417 6 3 5 43.018 86.035 0.443 2.95 8 45.9 3.7
418 14 1 2 43.197 86.394 0.444 2.94 8 6.0 0.1
419 6 7 3 43.199 86.399 0.444 2.94 8 2.9 0.0
420 5 6 4 43.232 86.464 0.445 2.94 8 40.5 2.9
421 10 5 3 43.239 86.478 0.445 2.94 8 25.0 1.1
422 7 8 1 43.259 86.517 0.445 2.93 8 43.0 3.3
423 2 9 1 43.27 86.54 0.445 2.93 8 43.9 3.4
424 11 0 4 43.292 86.584 0.445 2.93 4 53.0 2.5
425 14 3 1 43.39 86.78 0.446 2.93 8 51.5 4.7
426 12 3 3 43.425 86.851 0.446 2.92 8 59.1 6.1
427 9 4 4 43.584 87.168 0.448 2.91 8 31.5 1.7
428 11 1 4 43.609 87.218 0.448 2.91 8 78.5 10.8
429 10 3 4 43.636 87.271 0.448 2.91 8 2.8 0.0
430 0 8 3 43.653 87.305 0.448 2.91 4 41.1 1.5
431 1 8 3 43.772 87.545 0.449 2.9 8 17.7 0.5
432 10 7 0 43.817 87.634 0.449 2.9 4 16.5 0.2
433 8 1 5 43.828 87.656 0.45 2.9 8 64.2 7.2
434 3 9 1 43.868 87.736 0.45 2.89 8 16.3 0.5
435 13 1 3 43.877 87.754 0.45 2.89 8 12.2 0.3
436 1 5 5 43.908 87.816 0.45 2.89 8 19.6 0.7
437 5 4 5 43.923 87.846 0.45 2.89 8 3.9 0.0
438 4 9 0 43.923 87.847 0.45 2.89 4 60.9 3.2
439 6 8 2 44.049 88.098 0.451 2.88 8 0.9 0.0
440 2 8 3 44.131 88.262 0.452 2.88 8 58.9 6.0
441 14 2 2 44.149 88.297 0.452 2.88 8 18.1 0.6
442 2 5 5 44.266 88.533 0.453 2.87 8 60.6 6.3
443 8 8 0 44.27 88.54 0.453 2.87 4 13.1 0.1
444 15 1 1 44.32 88.639 0.454 2.87 8 49.4 4.2
445 8 5 4 44.406 88.811 0.454 2.86 8 25.5 1.1
446 0 0 6 44.456 88.912 0.455 2.86 2 83.7 3.0
447 9 6 3 44.456 88.912 0.455 2.86 8 16.0 0.4
448 1 7 4 44.485 88.971 0.455 2.86 8 42.1 3.0
449 6 6 4 44.547 89.093 0.455 2.85 8 115.4 22.8
450 11 2 4 44.56 89.12 0.455 2.85 8 4.8 0.0
451 7 3 5 44.572 89.143 0.456 2.85 8 57.4 5.6
452 1 0 6 44.575 89.151 0.456 2.85 4 27.7 0.7
453 12 5 2 44.592 89.183 0.456 2.85 8 22.9 0.9
454 10 7 1 44.598 89.196 0.456 2.85 8 55.3 5.2
455 9 7 2 44.671 89.342 0.456 2.85 8 101.8 17.7
456 4 9 1 44.704 89.409 0.457 2.84 8 17.8 0.5
457 13 4 2 44.726 89.452 0.457 2.84 8 45.0 3.5
458 3 8 3 44.728 89.456 0.457 2.84 8 60.7 6.3
459 7 7 3 44.753 89.506 0.457 2.84 8 20.7 0.7
460 8 2 5 44.779 89.558 0.457 2.84 8 44.4 3.4
461 13 2 3 44.828 89.655 0.458 2.84 8 11.6 0.2
462 14 4 0 44.828 89.655 0.458 2.84 4 10.3 0.1
463 2 7 4 44.844 89.687 0.458 2.84 8 32.8 1.8
464 3 5 5 44.863 89.727 0.458 2.84 8 52.9 4.8
465 1 1 6 44.892 89.784 0.458 2.83 8 26.7 1.2
466 2 0 6 44.934 89.867 0.458 2.83 4 10.5 0.1
467 12 6 0 44.954 89.908 0.459 2.83 4 90.1 6.9
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 2 0 0 5.239 10.478 8.436 295.3 82.1 82.6 5.6
2 1 1 1 8.38 16.76 5.28549 327.8 91.2 91.3 5.6
3 0 2 0 8.553 17.105 5.1795 38.7 10.8 10.8 5.6
4 2 1 1 9.544 19.088 4.64567 359.6 100.0 100.0 5.6
5 2 2 0 10.05 20.1 4.41394 39.7 11.0 11.0 5.6
6 0 2 1 10.898 21.795 4.07436 4.4 1.2 1.2 5.6
7 3 1 1 11.228 22.456 3.95597 98.9 27.5 27.4 5.6
8 4 1 0 11.372 22.744 3.90656 8.7 2.4 2.4 5.6
9 2 2 1 12.119 24.239 3.66887 63.4 17.6 17.6 5.6
10 4 1 1 13.246 26.492 3.36167 340.1 94.6 94.1 5.6
11 0 0 2 13.5 27.001 3.2995 21.5 6.0 5.9 5.6
12 4 2 0 13.622 27.244 3.27066 219.6 61.1 60.7 5.6
13 1 0 2 13.761 27.522 3.23816 84.3 23.4 23.3 5.6
14 1 1 2 14.432 28.864 3.09068 14.9 4.1 4.1 5.6
15 1 3 1 14.825 29.651 3.01037 76.2 21.2 21.0 5.6
16 2 1 2 15.157 30.315 2.94595 95.4 26.5 26.3 5.6
17 4 2 1 15.239 30.479 2.93047 174.5 48.5 48.1 5.6
18 5 1 1 15.483 30.966 2.88548 72.0 20.0 19.8 5.6
19 2 3 1 15.534 31.069 2.87616 223.0 62.0 61.5 5.6
20 3 0 2 15.704 31.408 2.84588 27.2 7.6 7.5 5.6
21 0 2 2 16.069 32.138 2.78282 51.5 14.3 14.2 5.6
22 3 1 2 16.302 32.603 2.74421 203.4 56.6 56.0 5.6
23 6 1 0 16.489 32.979 2.71379 5.9 1.7 1.6 5.6
24 3 3 1 16.655 33.311 2.68753 36.3 10.1 10.0 5.6
25 4 3 0 16.756 33.511 2.67188 19.8 5.5 5.4 5.7
26 2 2 2 16.946 33.892 2.64274 20.3 5.6 5.6 5.7
27 5 2 1 17.241 34.482 2.59883 92.3 25.7 25.4 5.7
28 0 4 0 17.304 34.607 2.58975 26.9 7.5 7.4 5.7
29 4 1 2 17.793 35.586 2.52072 7.3 2.0 2.0 5.7
30 3 2 2 17.989 35.978 2.49418 123.7 34.4 33.9 5.7
31 2 4 0 18.128 36.255 2.47572 64.5 17.9 17.7 5.7
32 6 2 0 18.161 36.323 2.47128 71.8 20.0 19.7 5.7
33 1 4 1 18.83 37.66 2.38651 20.6 5.7 5.6 5.7
34 5 0 2 19.057 38.114 2.35913 13.8 3.8 3.8 5.7
35 4 2 2 19.367 38.733 2.32284 7.3 2.0 2.0 5.7
36 2 4 1 19.409 38.818 2.31796 5.1 1.4 1.4 5.7
37 6 2 1 19.441 38.882 2.31432 9.6 2.7 2.6 5.7
38 5 1 2 19.565 39.129 2.30024 6.7 1.9 1.8 5.7
39 2 3 2 19.607 39.213 2.29551 7.1 2.0 1.9 5.7
40 5 3 1 19.868 39.735 2.26655 140.5 39.1 38.4 5.7
41 3 4 1 20.343 40.686 2.21576 51.4 14.3 14.0 5.7
42 4 4 0 20.427 40.855 2.20697 46.0 12.8 12.6 5.7
43 3 3 2 20.533 41.066 2.19612 15.2 4.2 4.2 5.7
44 6 0 2 21.095 42.189 2.14019 20.2 5.6 5.5 5.7
45 8 0 0 21.422 42.844 2.109 4.9 1.4 1.3 5.7
46 4 4 1 21.594 43.188 2.09302 32.4 9.0 8.8 5.7
47 2 1 3 21.682 43.363 2.08494 36.5 10.1 9.9 5.7
48 7 2 1 21.797 43.593 2.07447 12.0 3.3 3.3 5.7
49 6 3 1 21.842 43.685 2.07035 44.0 12.2 12.0 5.7
50 8 1 0 21.884 43.768 2.06661 26.0 7.2 7.1 5.7
51 1 4 2 22.387 44.774 2.02249 24.0 6.7 6.5 5.7
52 3 1 3 22.538 45.076 2.00963 64.3 17.9 17.5 5.7
53 2 4 2 22.891 45.782 1.98026 70.0 19.5 19.0 5.7
54 8 1 1 22.99 45.981 1.97216 41.0 11.4 11.1 5.7
55 2 2 3 23.033 46.065 1.96874 16.4 4.6 4.5 5.7
56 5 4 1 23.122 46.243 1.96158 9.6 2.7 2.6 5.7
57 7 0 2 23.314 46.628 1.94629 25.6 7.1 6.9 5.7
58 2 5 1 23.593 47.186 1.92454 8.8 2.4 2.4 5.7
59 4 1 3 23.696 47.391 1.91671 68.3 19.0 18.5 5.7
60 7 1 2 23.747 47.493 1.91282 67.4 18.7 18.3 5.7
61 7 3 1 24.007 48.013 1.89332 29.1 8.1 7.9 5.7
62 8 2 1 24.284 48.569 1.87296 19.4 5.4 5.2 5.7
63 3 5 1 24.397 48.794 1.86484 4.3 1.2 1.2 5.7
64 4 5 0 24.47 48.941 1.85959 3.9 1.1 1.0 5.7
65 1 3 3 24.689 49.379 1.8441 27.6 7.7 7.5 5.7
66 4 4 2 24.828 49.657 1.83443 10.2 2.8 2.8 5.7
67 6 4 1 24.889 49.778 1.83023 5.7 1.6 1.5 5.7
68 4 2 3 24.962 49.923 1.82527 7.2 2.0 1.9 5.7
69 6 3 2 25.052 50.104 1.81911 7.4 2.1 2.0 5.7
70 5 1 3 25.124 50.247 1.81424 37.0 10.3 10.0 5.8
71 2 3 3 25.158 50.316 1.81192 8.9 2.5 2.4 5.8
72 4 5 1 25.49 50.98 1.78988 34.8 9.7 9.4 5.8
73 8 0 2 25.688 51.376 1.77701 13.0 3.6 3.5 5.8
74 3 3 3 25.926 51.851 1.76183 28.4 7.9 7.7 5.8
75 8 1 2 26.091 52.183 1.75142 9.4 2.6 2.5 5.8
76 1 5 2 26.192 52.384 1.74517 58.7 16.3 15.8 5.8
77 8 3 1 26.334 52.668 1.73641 18.3 5.1 4.9 5.8
78 0 6 0 26.497 52.994 1.7265 31.8 8.8 8.6 5.8
79 7 4 1 26.866 53.733 1.70449 15.9 4.4 4.3 5.8
80 7 3 2 27.02 54.041 1.69551 15.4 4.3 4.1 5.8
81 2 6 0 27.091 54.181 1.69144 22.6 6.3 6.1 5.8
82 8 2 2 27.276 54.551 1.68083 8.4 2.3 2.3 5.8
83 6 5 0 27.504 55.007 1.66797 17.4 4.8 4.7 5.8
84 10 1 0 27.552 55.105 1.66526 29.6 8.2 7.9 5.8
85 0 0 4 27.834 55.667 1.64975 19.8 5.5 5.3 5.8
86 2 4 3 27.933 55.865 1.64437 23.7 6.6 6.4 5.8
87 1 0 4 27.978 55.956 1.64192 27.2 7.6 7.3 5.8
88 2 6 1 28.042 56.084 1.63847 11.9 3.3 3.2 5.8
89 9 0 2 28.202 56.404 1.62995 8.9 2.5 2.4 5.8
90 1 1 4 28.359 56.717 1.62168 15.5 4.3 4.1 5.8
91 4 5 2 28.39 56.781 1.62001 6.4 1.8 1.7 5.8
92 9 1 2 28.58 57.161 1.61014 10.4 2.9 2.8 5.8
93 10 2 0 28.696 57.391 1.60423 25.9 7.2 6.9 5.8
94 4 6 0 28.821 57.643 1.59783 36.0 10.0 9.6 5.8
95 3 0 4 29.116 58.232 1.58305 9.9 2.8 2.7 5.8
96 8 3 2 29.177 58.353 1.58005 12.5 3.5 3.4 5.8
97 3 1 4 29.487 58.975 1.56488 3.9 1.1 1.0 5.8
98 7 4 2 29.675 59.349 1.55589 28.4 7.9 7.6 5.8
99 7 5 1 30.263 60.526 1.52842 7.3 2.0 1.9 5.8
100 1 6 2 30.371 60.743 1.52348 26.4 7.4 7.0 5.8
101 8 1 3 30.759 61.517 1.50616 4.0 1.1 1.1 5.8
102 5 4 3 30.866 61.732 1.50143 8.0 2.2 2.1 5.8
103 5 6 1 30.969 61.938 1.49693 7.0 2.0 1.9 5.8
104 5 0 4 31.314 62.627 1.4821 4.9 1.4 1.3 5.8
105 11 1 1 31.394 62.788 1.47869 17.6 4.9 4.7 5.9
106 10 3 1 31.424 62.847 1.47743 4.3 1.2 1.1 5.9
107 9 3 2 31.506 63.011 1.47399 41.6 11.6 11.0 5.9
108 6 6 0 31.57 63.139 1.47131 20.8 5.8 5.5 5.9
109 5 1 4 31.669 63.338 1.46716 5.6 1.6 1.5 5.9
110 8 2 3 31.829 63.658 1.46055 6.8 1.9 1.8 5.9
111 8 5 1 32.282 64.564 1.44223 14.2 4.0 3.8 5.9
112 1 7 1 32.37 64.74 1.43873 17.5 4.9 4.6 5.9
113 6 6 1 32.438 64.876 1.43605 12.3 3.4 3.3 5.9
114 5 2 4 32.723 65.446 1.42491 12.3 3.4 3.3 5.9
115 6 0 4 32.774 65.548 1.42294 45.3 12.6 12.0 5.9
116 4 5 3 32.848 65.695 1.42011 7.6 2.1 2.0 5.9
117 7 5 2 32.889 65.778 1.41853 21.8 6.1 5.8 5.9
118 10 4 0 33.017 66.034 1.41366 24.8 6.9 6.5 5.9
119 12 0 0 33.22 66.44 1.406 15.2 4.2 4.0 5.9
120 4 7 0 33.478 66.956 1.39641 4.3 1.2 1.1 5.9
121 8 3 3 33.572 67.143 1.39297 10.9 3.0 2.9 5.9
122 11 1 2 33.971 67.943 1.37851 16.5 4.6 4.4 5.9
123 5 5 3 34.017 68.033 1.3769 8.5 2.4 2.2 5.9
124 6 2 4 34.152 68.303 1.3721 46.6 13.0 12.3 5.9
125 12 1 1 34.407 68.813 1.36318 6.2 1.7 1.6 5.9
126 9 5 1 34.492 68.984 1.36022 4.9 1.4 1.3 5.9
127 12 2 0 34.588 69.177 1.3569 7.5 2.1 2.0 5.9
128 1 6 3 34.681 69.361 1.35374 18.1 5.0 4.7 5.9
129 11 2 2 34.99 69.979 1.34329 10.6 3.0 2.8 5.9
130 12 2 1 35.419 70.838 1.32909 5.7 1.6 1.5 5.9
131 4 4 4 35.658 71.315 1.32137 6.4 1.8 1.7 5.9
132 3 7 2 35.922 71.843 1.31295 9.9 2.8 2.6 5.9
133 6 7 0 36.029 72.057 1.30958 7.9 2.2 2.1 5.9
134 10 4 2 36.355 72.71 1.29942 4.4 1.2 1.1 6.0
135 11 4 1 36.529 73.058 1.2941 19.3 5.4 5.0 6.0
136 11 3 2 36.659 73.317 1.29015 4.7 1.3 1.2 6.0
137 1 5 4 36.769 73.539 1.28681 7.3 2.0 1.9 6.0
138 9 5 2 36.963 73.926 1.28103 4.9 1.4 1.3 6.0
139 3 1 5 37.163 74.326 1.27512 8.2 2.3 2.1 6.0
140 1 8 1 37.44 74.88 1.26706 6.1 1.7 1.6 6.0
141 13 1 1 37.548 75.097 1.26394 9.5 2.6 2.5 6.0
142 2 8 1 37.81 75.621 1.25647 16.7 4.6 4.3 6.0
143 11 1 3 38.078 76.156 1.24897 9.4 2.6 2.4 6.0
144 9 6 1 38.146 76.291 1.24709 5.9 1.6 1.5 6.0
145 8 6 2 38.466 76.932 1.23829 4.4 1.2 1.1 6.0
146 8 5 3 38.895 77.79 1.22677 6.7 1.9 1.7 6.0
147 11 4 2 38.949 77.898 1.22534 7.0 1.9 1.8 6.0
148 6 6 3 39.039 78.078 1.22296 4.0 1.1 1.0 6.0
149 5 1 5 39.13 78.26 1.22057 10.5 2.9 2.7 6.0
150 2 7 3 39.342 78.684 1.21505 7.1 2.0 1.8 6.0
151 11 5 1 39.469 78.937 1.21179 11.3 3.1 2.9 6.0
152 5 5 4 39.718 79.437 1.20542 5.9 1.6 1.5 6.0
153 14 1 0 40.051 80.102 1.19707 6.0 1.7 1.5 6.0
154 0 6 4 40.225 80.451 1.19276 7.1 2.0 1.8 6.0
155 8 7 1 40.278 80.555 1.19148 8.2 2.3 2.1 6.1
156 5 8 1 40.373 80.747 1.18913 7.8 2.2 2.0 6.1
157 4 3 5 40.614 81.227 1.18331 4.7 1.3 1.2 6.1
158 14 1 1 40.842 81.684 1.17785 6.8 1.9 1.7 6.1
159 6 8 0 40.913 81.825 1.17617 8.0 2.2 2.0 6.1
160 9 5 3 40.958 81.916 1.1751 9.1 2.5 2.3 6.1
161 6 2 5 41.426 82.852 1.16418 9.4 2.6 2.4 6.1
162 4 8 2 41.653 83.306 1.15898 4.0 1.1 1.0 6.1
163 14 2 1 41.8 83.6 1.15565 7.3 2.0 1.9 6.1
164 5 7 3 41.881 83.761 1.15384 17.4 4.8 4.4 6.1
165 10 2 4 42.047 84.094 1.15012 18.1 5.0 4.6 6.1
166 12 5 1 42.245 84.491 1.14573 4.2 1.2 1.1 6.1
167 13 3 2 42.505 85.01 1.14004 3.7 1.0 0.9 6.1
168 5 8 2 42.733 85.466 1.13513 6.5 1.8 1.7 6.1
169 4 4 5 42.846 85.692 1.13271 7.9 2.2 2.0 6.1
170 6 3 5 43.018 86.035 1.12908 3.7 1.0 0.9 6.1
171 7 8 1 43.259 86.517 1.12402 13.1 3.7 3.3 6.1
172 14 3 1 43.39 86.78 1.12129 4.7 1.3 1.2 6.1
173 12 3 3 43.425 86.851 1.12056 6.1 1.7 1.6 6.1
174 11 1 4 43.609 87.218 1.11678 12.5 3.5 3.2 6.2
175 8 1 5 43.828 87.656 1.11232 7.2 2.0 1.8 6.2
176 2 8 3 44.131 88.262 1.10625 6.6 1.8 1.7 6.2
177 2 5 5 44.266 88.533 1.10356 6.5 1.8 1.6 6.2
178 15 1 1 44.32 88.639 1.10251 4.2 1.2 1.1 6.2
179 1 7 4 44.485 88.971 1.09926 6.5 1.8 1.6 6.2
180 6 6 4 44.547 89.093 1.09806 29.2 8.1 7.3 6.2
181 10 7 1 44.598 89.196 1.09706 5.2 1.5 1.3 6.2
182 9 7 2 44.671 89.342 1.09565 17.7 4.9 4.5 6.2
183 3 8 3 44.728 89.456 1.09455 10.5 2.9 2.6 6.2
184 3 5 5 44.863 89.727 1.09195 7.8 2.2 2.0 6.2
185 12 6 0 44.954 89.908 1.09022 6.9 1.9 1.7 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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