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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QINGHEIITE-(FE)
1, f-fillowite, g-wyllieite, DN
Na(0.35)(Na,Mn'')(Fe'',Na)(Al,Fe''')(Fe'',Mg)[PO(4)](3)
Monoclinic P 2(1)/n Z = 4
P2(1)/n
14 .3 .11
Ref.Str.:
Hatert F, Baijot M, Philippo S, Wouters J. (2010)
* Eur. J. Mineral., 22, 459-467
R: from the Sebastiao Cristino pegmatite, Minas Gerais, Brazil.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.91 alpha = 90.0
b = 12.383 beta = 114.43
c = 6.372 gamma = 90.0
Unit cell volume (cub. angs.) = 855.61
Molar volume ( cub.cm/mol.) = 128.84
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0005 0.9828 0.2483 0.0 Na = 0.57, Na = 0.0
2 0.5 0.0 0.0 0.0 Mn = 1.00
3 0.5 0.0 0.5 0.0 Na = 0.95, Na = 0.0
4 0.0008 0.2608 0.2653 0.0 Fe = 0.87, Na = 0.13
5 0.2822 0.6645 0.3601 0.0 Al = 0.93, Fe = 0.08
6 0.2241 0.8523 0.6291 0.0 Fe = 0.54, Mg = 0.46
7 0.0063 0.7144 0.239 0.0 P = 1.00
8 0.2391 0.902 0.1176 0.0 P = 1.00
9 0.2406 0.1146 0.6475 0.0 P = 1.00
10 0.4494 0.7172 0.5156 0.0 O = 1.00
11 0.455 0.2891 0.0508 0.0 O = 1.00
12 0.1107 0.6489 0.22 0.0 O = 1.00
13 0.0828 0.3723 0.7435 0.0 O = 1.00
14 0.3189 0.6736 0.0873 0.0 O = 1.00
15 0.3395 0.3452 0.613 0.0 O = 1.00
16 0.1257 0.4118 0.3513 0.0 O = 1.00
17 0.1189 0.6002 0.7763 0.0 O = 1.00
18 0.2368 0.8324 0.3166 0.0 O = 1.00
19 0.2226 0.1852 0.8312 0.0 O = 1.00
20 0.3169 0.5135 0.3811 0.0 O = 1.00
21 0.3224 0.5062 0.8776 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0005 0.9828 0.2483
2 2 0.5 0.0 0.0
3 3 0.5 0.0 0.5
4 4 0.0008 0.2608 0.2653
5 5 0.2822 0.6645 0.3601
6 6 0.2241 0.8523 0.6291
7 7 0.0063 0.7144 0.239
8 8 0.2391 0.902 0.1176
9 9 0.2406 0.1146 0.6475
10 10 0.4494 0.7172 0.5156
11 11 0.455 0.2891 0.0508
12 12 0.1107 0.6489 0.22
13 13 0.0828 0.3723 0.7435
14 14 0.3189 0.6736 0.0873
15 15 0.3395 0.3452 0.613
16 16 0.1257 0.4118 0.3513
17 17 0.1189 0.6002 0.7763
18 18 0.2368 0.8324 0.3166
19 19 0.2226 0.1852 0.8312
20 20 0.3169 0.5135 0.3811
21 21 0.3224 0.5062 0.8776
22 1 0.9995 0.0172 0.7517
23 4 0.9992 0.7392 0.7347
24 5 0.7178 0.3355 0.6399
25 6 0.7759 0.1477 0.3709
26 7 0.9937 0.2856 0.761
27 8 0.7609 0.098 0.8824
28 9 0.7594 0.8855 0.3525
29 10 0.5506 0.2828 0.4844
30 11 0.545 0.7109 0.9492
31 12 0.8893 0.3511 0.78
32 13 0.9172 0.6277 0.2565
33 14 0.6811 0.3264 0.9127
34 15 0.6605 0.6548 0.387
35 16 0.8743 0.5882 0.6487
36 17 0.8811 0.3998 0.2237
37 18 0.7632 0.1676 0.6834
38 19 0.7774 0.8148 0.1688
39 20 0.6831 0.4865 0.6189
40 21 0.6776 0.4938 0.1224
41 1 0.5005 0.5172 0.7483
42 2 0.0 0.5 0.5
43 3 0.0 0.5 0.0
44 4 0.5008 0.2392 0.7653
45 5 0.7822 0.8355 0.8601
46 6 0.7241 0.6477 0.1291
47 7 0.5063 0.7856 0.739
48 8 0.7391 0.598 0.6176
49 9 0.7406 0.3855 0.1475
50 10 0.9494 0.7828 0.0156
51 11 0.955 0.2109 0.5508
52 12 0.6107 0.8511 0.72
53 13 0.5828 0.1277 0.2435
54 14 0.8189 0.8264 0.5873
55 15 0.8395 0.1548 0.113
56 16 0.6257 0.0882 0.8513
57 17 0.6189 0.8998 0.2763
58 18 0.7368 0.6676 0.8166
59 19 0.7226 0.3148 0.3312
60 20 0.8169 0.9865 0.8811
61 21 0.8224 0.9938 0.3776
62 1 0.4995 0.4828 0.2517
63 4 0.4992 0.7608 0.2347
64 5 0.2178 0.1645 0.1399
65 6 0.2759 0.3523 0.8709
66 7 0.4937 0.2144 0.261
67 8 0.2609 0.402 0.3824
68 9 0.2594 0.6145 0.8525
69 10 0.0506 0.2172 0.9844
70 11 0.045 0.7891 0.4492
71 12 0.3893 0.1489 0.28
72 13 0.4172 0.8723 0.7565
73 14 0.1811 0.1736 0.4127
74 15 0.1605 0.8452 0.887
75 16 0.3743 0.9118 0.1487
76 17 0.3811 0.1002 0.7237
77 18 0.2632 0.3324 0.1834
78 19 0.2774 0.6852 0.6688
79 20 0.1831 0.0135 0.1189
80 21 0.1776 0.0062 0.6224
X-ray density (g/cm cub.) = 3.56
MU (1/cm) = 172.066 Mass attenuation coefficient (cm**2/g) = 48.372
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Na 2.808 6
2.7548 15
2.4548 20
2.5773 21
2.6668 11
2.6528 20
2.461 21
2 Mn 2.724 6
2.1482 13
2.3463 16
2.1406 17
2.1482 13
2.3463 16
2.1406 17
3 Na ,Na 2.808 8
2.361 12
2.7345 13
2.3818 16
2.6919 17
2.361 12
2.7345 13
2.3818 16
2.6919 17
4 Fe ,Na 2.808 6
2.3092 16
2.1799 17
2.1936 11
2.1944 15
2.1735 10
2.234 14
5 Al ,Fe 2.592 6
1.9347 10
1.8698 12
1.9632 14
2.1373 18
1.9077 20
2.0078 19
6 Fe ,Mg 2.592 6
2.0735 18
2.1103 11
2.1134 13
2.0761 15
2.1489 19
1.9796 21
7 P 2.232 4
1.5304 12
1.5459 13
1.5509 10
1.5335 11
8 P 2.232 4
1.543 18
1.5467 15
1.5436 16
1.5347 20
9 P 2.232 4
1.5453 19
1.5488 14
1.548 17
1.513 21
10 O 3.264 10
2.5781 14
2.72 18
2.9101 20
2.5167 11
3.0486 15
2.463 12
3.2159 18
2.5844 13
3.216 16
2.6383 19
11 O 3.264 10
2.6425 15
2.8409 19
3.0818 21
2.5167 10
3.1936 14
2.5046 13
2.9565 19
2.5893 12
3.0122 17
2.7957 18
12 O 3.264 9
2.9481 14
3.0378 16
2.9317 17
2.652 18
2.7948 20
2.4244 13
2.463 10
2.5893 11
2.7615 19
13 O 3.264 9
2.7932 16
2.8493 17
2.7718 19
3.0993 21
2.4244 12
3.2056 17
2.5046 11
2.5844 10
2.7813 18
14 O 3.264 10
2.5781 10
2.9481 12
2.5539 17
2.853 18
2.7336 20
2.4759 21
3.1936 11
2.777 15
3.0125 16
2.5072 19
15 O 3.264 9
2.6425 11
2.5362 16
3.0657 19
2.504 20
2.6726 21
3.0486 10
2.777 14
3.1078 17
2.5073 18
16 O 3.264 8
3.0378 12
2.7932 13
2.5362 15
2.5397 20
2.6853 17
3.216 10
3.0125 14
2.4985 18
17 O 3.264 9
2.9317 12
2.8493 13
2.5539 14
2.5203 21
3.2056 13
2.6853 16
3.0122 11
3.1078 15
2.492 19
18 O 3.264 11
2.72 10
2.652 12
2.853 14
3.2159 10
2.7957 11
2.7813 13
2.5073 15
2.4985 16
2.774 19
2.5216 20
3.1721 21
19 O 3.264 11
2.8409 11
2.7718 13
3.0657 15
2.9565 11
2.6383 10
2.7615 12
2.5072 14
2.492 17
2.774 18
2.9692 20
2.526 21
20 O 3.264 9
2.9101 10
2.7948 12
2.7336 14
2.504 15
2.5397 16
3.1385 21
3.2372 21
2.5216 18
2.9692 19
21 O 3.264 9
3.0818 11
3.0993 13
2.4759 14
2.6726 15
2.5203 17
3.2372 20
3.1385 20
3.1721 18
2.526 19
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 6.295 12.59 0.061 163.4 4 56.0 280.5
2 1 0 -1 8.141 16.283 0.079 96.78 2 51.2 69.4
3 0 2 0 8.306 16.613 0.081 92.89 2 115.0 335.7
4 1 1 -1 9.147 18.295 0.089 76.21 4 11.5 5.5
5 2 0 0 9.496 18.991 0.092 70.56 2 45.4 39.8
6 1 2 0 9.576 19.152 0.093 69.35 4 16.6 10.4
7 0 1 1 9.803 19.606 0.095 66.07 4 30.6 33.7
8 2 1 0 10.375 20.75 0.101 58.75 4 4.2 0.6
9 2 1 -1 10.808 21.617 0.105 53.97 4 26.3 20.4
10 1 2 -1 11.672 23.343 0.113 45.98 4 31.0 24.2
11 1 0 1 11.696 23.392 0.113 45.78 2 17.8 4.0
12 0 2 1 12.198 24.395 0.118 41.93 4 6.2 0.9
13 1 1 1 12.427 24.855 0.12 40.32 4 40.2 35.6
14 2 2 0 12.667 25.334 0.123 38.73 4 61.4 79.8
15 2 2 -1 13.028 26.056 0.126 36.5 4 8.2 1.4
16 3 0 -1 13.367 26.734 0.129 34.57 2 13.0 1.6
17 1 3 0 13.407 26.814 0.13 34.35 4 11.8 2.6
18 3 1 -1 14.017 28.034 0.135 31.26 4 16.4 4.6
19 1 2 1 14.414 28.828 0.139 29.45 4 24.1 9.4
20 3 1 0 14.939 29.878 0.144 27.28 4 141.1 296.9
21 1 3 -1 15.003 30.006 0.145 27.03 4 42.8 27.1
22 0 3 1 15.423 30.847 0.149 25.48 4 51.5 36.9
23 2 3 0 15.804 31.608 0.152 24.17 4 3.8 0.2
24 3 2 -1 15.82 31.64 0.152 24.12 4 34.7 15.9
25 2 3 -1 16.1 32.201 0.155 23.22 4 11.5 1.7
26 2 1 1 16.137 32.273 0.155 23.11 4 33.4 14.1
27 2 0 -2 16.453 32.907 0.158 22.16 2 25.0 3.8
28 3 2 0 16.651 33.302 0.16 21.59 4 15.6 2.9
29 0 4 0 16.794 33.588 0.162 21.2 2 17.3 1.7
30 2 1 -2 16.996 33.991 0.163 20.65 4 16.1 2.9
31 1 1 -2 17.06 34.12 0.164 20.48 4 139.2 217.0
32 1 3 1 17.262 34.523 0.166 19.97 4 94.0 96.3
33 1 4 0 17.486 34.972 0.168 19.41 4 29.9 9.5
34 2 2 1 17.745 35.491 0.17 18.8 4 55.9 32.1
35 0 0 2 17.96 35.92 0.172 18.31 2 147.7 109.2
36 4 1 -1 18.028 36.055 0.173 18.16 4 27.1 7.3
37 3 1 -2 18.284 36.567 0.175 17.6 4 180.5 313.2
38 0 1 2 18.464 36.927 0.177 17.23 4 35.7 12.0
39 3 3 -1 18.474 36.948 0.177 17.21 4 67.8 43.2
40 2 2 -2 18.539 37.078 0.178 17.07 4 145.3 197.1
41 1 2 -2 18.598 37.197 0.178 16.95 4 47.2 20.6
42 1 4 -1 18.77 37.54 0.18 16.61 4 7.7 0.5
43 0 4 1 19.117 38.233 0.183 15.96 4 114.0 113.3
44 3 3 0 19.204 38.408 0.184 15.8 4 43.9 16.6
45 4 0 0 19.266 38.531 0.184 15.69 2 302.7 392.7
46 2 4 0 19.434 38.867 0.186 15.39 4 318.4 852.2
47 4 2 -1 19.5 39.0 0.187 15.27 4 50.9 21.6
48 2 4 -1 19.682 39.363 0.188 14.96 4 33.5 9.2
49 3 2 -2 19.74 39.479 0.189 14.86 4 6.9 0.4
50 4 1 0 19.741 39.481 0.189 14.86 4 9.1 0.7
51 0 2 2 19.908 39.817 0.19 14.58 4 122.6 119.7
52 3 0 1 19.963 39.927 0.191 14.49 2 31.8 4.0
53 2 3 1 20.178 40.356 0.193 14.15 4 7.7 0.5
54 4 0 -2 20.25 40.499 0.193 14.04 2 135.7 70.7
55 3 1 1 20.425 40.849 0.195 13.78 4 18.7 2.6
56 1 4 1 20.668 41.336 0.197 13.42 4 55.9 22.9
57 4 1 -2 20.706 41.411 0.198 13.36 4 28.1 5.8
58 2 3 -2 20.893 41.786 0.199 13.1 4 22.3 3.6
59 1 3 -2 20.947 41.893 0.2 13.02 4 179.9 230.3
60 1 1 2 20.976 41.951 0.2 12.98 4 145.3 149.6
61 4 2 0 21.112 42.224 0.201 12.79 4 93.3 60.9
62 3 4 -1 21.718 43.436 0.207 12.01 4 29.1 5.5
63 1 5 0 21.744 43.489 0.207 11.97 4 11.2 0.8
64 3 2 1 21.76 43.521 0.207 11.95 4 2.6 0.0
65 4 3 -1 21.767 43.534 0.207 11.95 4 34.1 7.6
66 3 3 -2 21.986 43.972 0.209 11.68 4 35.2 7.9
67 4 2 -2 22.027 44.055 0.21 11.63 4 109.6 76.4
68 5 0 -1 22.078 44.156 0.21 11.57 2 42.3 5.7
69 0 3 2 22.141 44.282 0.211 11.5 4 7.6 0.4
70 1 2 2 22.284 44.569 0.212 11.33 4 3.7 0.1
71 3 4 0 22.36 44.719 0.213 11.24 4 4.1 0.1
72 5 1 -1 22.504 45.007 0.214 11.08 4 12.8 1.0
73 1 5 -1 22.826 45.652 0.217 10.73 4 83.9 41.2
74 0 5 1 23.122 46.245 0.22 10.42 4 11.8 0.8
75 2 4 1 23.225 46.45 0.22 10.32 4 20.1 2.3
76 4 3 0 23.25 46.5 0.221 10.29 4 24.3 3.3
77 2 5 0 23.394 46.789 0.222 10.15 4 35.1 6.8
78 2 5 -1 23.608 47.217 0.224 9.94 4 4.9 0.1
79 5 2 -1 23.745 47.491 0.225 9.81 4 11.1 0.7
80 3 3 1 23.852 47.705 0.226 9.71 4 67.5 24.2
81 2 4 -2 23.866 47.732 0.226 9.7 4 18.4 1.8
82 1 4 -2 23.915 47.829 0.227 9.66 4 0.8 0.0
83 2 0 2 23.918 47.837 0.227 9.65 2 35.2 3.3
84 5 1 -2 23.982 47.965 0.227 9.6 4 48.9 12.6
85 4 3 -2 24.101 48.203 0.228 9.49 4 22.2 2.6
86 2 1 2 24.319 48.638 0.23 9.3 4 18.7 1.8
87 1 3 2 24.341 48.682 0.23 9.28 4 145.8 107.8
88 1 5 1 24.467 48.934 0.232 9.17 4 21.9 2.4
89 4 4 -1 24.657 49.313 0.233 9.01 4 13.1 0.9
90 5 1 0 24.753 49.507 0.234 8.93 4 117.7 67.6
91 3 4 -2 24.856 49.712 0.235 8.85 4 40.2 7.8
92 0 4 2 24.997 49.994 0.236 8.73 4 39.2 7.3
93 4 1 1 25.099 50.198 0.237 8.65 4 9.6 0.4
94 3 0 -3 25.141 50.282 0.237 8.62 2 24.1 1.4
95 5 2 -2 25.168 50.336 0.238 8.6 4 35.1 5.8
96 2 1 -3 25.346 50.692 0.239 8.46 4 16.9 1.3
97 3 5 -1 25.393 50.786 0.24 8.43 4 0.6 0.0
98 2 2 2 25.493 50.986 0.241 8.35 4 59.1 15.9
99 3 1 -3 25.528 51.055 0.241 8.32 4 188.8 162.1
100 0 6 0 25.683 51.367 0.242 8.21 2 106.2 25.3
101 5 3 -1 25.713 51.425 0.243 8.19 4 3.7 0.1
102 1 0 -3 25.782 51.564 0.243 8.14 2 7.5 0.1
103 5 2 0 25.913 51.826 0.244 8.05 4 29.4 3.8
104 3 5 0 25.964 51.928 0.245 8.01 4 151.0 99.8
105 4 4 0 26.013 52.026 0.245 7.98 4 94.6 39.0
106 1 1 -3 26.162 52.324 0.246 7.87 4 14.7 0.9
107 1 6 0 26.179 52.358 0.247 7.86 4 51.7 11.5
108 4 2 1 26.247 52.495 0.247 7.81 4 20.7 1.8
109 2 2 -3 26.487 52.973 0.249 7.65 4 6.3 0.2
110 3 4 1 26.568 53.137 0.25 7.6 4 26.5 2.9
111 3 2 -3 26.663 53.326 0.251 7.54 4 55.0 12.5
112 4 1 -3 26.693 53.385 0.251 7.52 4 37.0 5.6
113 2 5 1 26.741 53.482 0.252 7.49 4 27.5 3.1
114 4 4 -2 26.799 53.598 0.252 7.45 4 75.8 23.4
115 1 4 2 27.021 54.042 0.254 7.31 4 11.5 0.5
116 5 3 -2 27.059 54.119 0.254 7.29 4 151.3 91.2
117 1 6 -1 27.126 54.252 0.255 7.25 4 12.9 0.7
118 1 2 -3 27.278 54.557 0.256 7.16 4 12.9 0.7
119 2 5 -2 27.321 54.642 0.257 7.13 4 14.5 0.8
120 6 1 -1 27.332 54.664 0.257 7.13 4 32.2 4.0
121 1 5 -2 27.365 54.73 0.257 7.11 4 84.5 27.7
122 2 3 2 27.369 54.737 0.257 7.1 4 22.5 2.0
123 0 6 1 27.387 54.775 0.257 7.09 4 23.4 2.1
124 6 0 -2 27.541 55.082 0.258 7.0 2 94.7 17.2
125 2 6 0 27.628 55.257 0.259 6.95 4 110.6 46.5
126 5 3 0 27.768 55.537 0.26 6.87 4 121.0 55.0
127 4 2 -3 27.795 55.589 0.261 6.86 4 42.9 6.9
128 2 6 -1 27.818 55.637 0.261 6.85 4 38.9 5.7
129 6 1 -2 27.904 55.808 0.262 6.8 4 10.1 0.4
130 0 1 3 27.914 55.827 0.262 6.79 4 30.5 3.5
131 4 5 -1 28.041 56.082 0.263 6.72 4 8.6 0.3
132 4 3 1 28.088 56.175 0.263 6.7 4 56.4 11.6
133 3 5 -2 28.223 56.446 0.264 6.63 4 67.1 16.3
134 3 1 2 28.293 56.586 0.265 6.59 4 22.2 1.8
135 5 4 -1 28.3 56.6 0.265 6.58 4 20.6 1.5
136 2 3 -3 28.316 56.632 0.265 6.58 4 33.1 3.9
137 0 5 2 28.352 56.705 0.265 6.56 4 9.3 0.3
138 5 0 -3 28.402 56.804 0.266 6.53 2 8.8 0.1
139 6 2 -1 28.417 56.835 0.266 6.52 4 0.5 0.0
140 3 3 -3 28.485 56.969 0.267 6.49 4 86.2 26.3
141 1 6 1 28.585 57.17 0.267 6.44 4 10.1 0.4
142 5 1 -3 28.758 57.515 0.269 6.35 4 16.5 0.9
143 6 2 -2 28.975 57.949 0.271 6.24 4 151.5 78.3
144 0 2 3 28.984 57.968 0.271 6.24 4 8.9 0.3
145 1 3 -3 29.074 58.148 0.272 6.19 4 8.1 0.2
146 4 5 0 29.287 58.574 0.273 6.09 4 19.1 1.2
147 3 2 2 29.354 58.709 0.274 6.06 4 0.1 0.0
148 3 6 -1 29.42 58.84 0.275 6.03 4 6.9 0.2
149 5 4 -2 29.566 59.132 0.276 5.97 4 2.2 0.0
150 4 3 -3 29.57 59.14 0.276 5.96 4 9.3 0.3
151 6 0 0 29.665 59.329 0.277 5.92 2 54.9 4.9
152 5 0 1 29.766 59.532 0.278 5.88 2 24.5 1.0
153 3 5 1 29.802 59.603 0.278 5.86 4 120.2 46.2
154 5 2 -3 29.809 59.618 0.278 5.86 4 18.9 1.1
155 2 4 2 29.858 59.716 0.278 5.84 4 57.6 10.6
156 3 6 0 29.938 59.877 0.279 5.8 4 20.4 1.3
157 6 1 0 30.011 60.022 0.28 5.77 4 19.3 1.2
158 4 5 -2 30.015 60.031 0.28 5.77 4 19.2 1.2
159 5 1 1 30.112 60.223 0.28 5.73 4 130.9 53.6
160 1 0 3 30.152 60.304 0.281 5.71 2 20.1 0.6
161 6 3 -1 30.169 60.338 0.281 5.7 4 0.4 0.0
162 1 5 2 30.222 60.444 0.281 5.68 4 68.2 14.4
163 5 4 0 30.237 60.473 0.281 5.67 4 8.2 0.2
164 1 1 3 30.495 60.99 0.284 5.57 4 31.3 3.0
165 4 4 1 30.539 61.079 0.284 5.55 4 16.4 0.8
166 2 6 1 30.648 61.296 0.285 5.5 4 6.6 0.1
167 6 3 -2 30.706 61.413 0.285 5.48 4 59.6 10.6
168 0 3 3 30.716 61.431 0.286 5.48 4 3.2 0.0
169 2 4 -3 30.756 61.513 0.286 5.46 4 104.9 32.8
170 1 7 0 30.818 61.636 0.286 5.44 4 20.2 1.2
171 3 4 -3 30.917 61.833 0.287 5.4 4 30.3 2.7
172 6 2 0 31.036 62.072 0.288 5.35 4 4.7 0.1
173 3 3 2 31.073 62.147 0.289 5.34 4 174.2 88.6
174 5 2 1 31.135 62.269 0.289 5.32 4 0.8 0.0
175 2 6 -2 31.181 62.361 0.289 5.3 4 147.2 62.7
176 1 6 -2 31.221 62.443 0.29 5.28 4 5.3 0.1
177 5 5 -1 31.417 62.834 0.291 5.21 4 3.8 0.0
178 1 4 -3 31.478 62.956 0.292 5.19 4 5.2 0.1
179 1 2 3 31.511 63.021 0.292 5.18 4 41.0 4.7
180 5 3 -3 31.513 63.026 0.292 5.18 4 30.8 2.7
181 6 1 -3 31.612 63.224 0.293 5.14 4 11.8 0.4
182 1 7 -1 31.674 63.348 0.294 5.12 4 139.4 54.3
183 4 6 -1 31.845 63.691 0.295 5.06 4 14.9 0.6
184 0 7 1 31.912 63.824 0.295 5.04 4 28.1 2.2
185 4 4 -3 31.951 63.902 0.296 5.02 4 30.5 2.6
186 3 6 -2 32.014 64.028 0.296 5.0 4 15.2 0.6
187 2 7 0 32.131 64.263 0.297 4.96 4 14.5 0.6
188 0 6 2 32.134 64.268 0.297 4.96 4 79.2 17.0
189 7 0 -1 32.173 64.346 0.298 4.95 2 0.7 0.0
190 2 7 -1 32.305 64.61 0.299 4.9 4 45.9 5.6
191 7 1 -2 32.357 64.713 0.299 4.89 4 87.2 20.3
192 4 0 2 32.463 64.926 0.3 4.85 2 26.9 1.0
193 7 1 -1 32.504 65.008 0.3 4.84 4 20.0 1.1
194 6 4 -1 32.525 65.049 0.301 4.83 4 74.1 14.5
195 6 2 -3 32.608 65.216 0.301 4.81 4 68.4 12.3
196 5 5 -2 32.61 65.22 0.301 4.81 4 61.9 10.0
197 6 3 0 32.703 65.406 0.302 4.78 4 10.7 0.3
198 4 1 2 32.792 65.584 0.303 4.75 4 15.5 0.6
199 5 3 1 32.799 65.598 0.303 4.75 4 91.4 21.7
200 2 5 2 32.886 65.772 0.304 4.72 4 18.6 0.9
201 4 6 0 33.004 66.008 0.304 4.68 4 26.7 1.8
202 1 7 1 33.008 66.016 0.305 4.68 4 7.4 0.1
203 6 4 -2 33.04 66.081 0.305 4.67 4 164.6 69.2
204 0 4 3 33.049 66.099 0.305 4.67 4 34.4 3.0
205 1 3 3 33.164 66.329 0.306 4.64 4 106.7 28.8
206 5 5 0 33.245 66.49 0.306 4.61 4 73.9 13.8
207 7 2 -2 33.341 66.682 0.307 4.58 4 20.5 1.1
208 3 4 2 33.393 66.786 0.308 4.57 4 15.1 0.6
209 3 6 1 33.485 66.971 0.308 4.54 4 28.4 2.0
210 7 2 -1 33.486 66.971 0.308 4.54 4 32.7 2.7
211 4 5 1 33.532 67.065 0.309 4.53 4 49.7 6.1
212 4 6 -2 33.686 67.372 0.31 4.48 4 38.9 3.7
213 2 5 -3 33.739 67.477 0.31 4.47 4 89.3 19.5
214 4 2 2 33.77 67.539 0.311 4.46 4 149.9 54.8
215 3 7 -1 33.778 67.556 0.311 4.46 4 10.8 0.3
216 2 1 3 33.801 67.603 0.311 4.45 4 23.4 1.3
217 5 4 -3 33.816 67.632 0.311 4.45 4 27.0 1.8
218 1 6 2 33.88 67.76 0.312 4.43 4 27.0 1.8
219 3 5 -3 33.891 67.782 0.312 4.43 4 69.8 11.8
220 6 3 -3 34.234 68.468 0.314 4.34 4 53.4 6.8
221 3 7 0 34.259 68.518 0.315 4.33 4 70.1 11.6
222 1 5 -3 34.427 68.853 0.316 4.29 4 136.2 43.5
223 3 1 -4 34.484 68.967 0.316 4.27 4 37.1 3.2
224 4 0 -4 34.504 69.008 0.317 4.27 2 13.7 0.2
225 2 0 -4 34.658 69.316 0.318 4.23 2 328.3 124.5
226 2 2 3 34.765 69.53 0.319 4.2 4 79.6 14.6
227 4 1 -4 34.824 69.647 0.319 4.19 4 3.1 0.0
228 7 0 -3 34.844 69.687 0.319 4.18 2 19.9 0.5
229 4 5 -3 34.879 69.758 0.32 4.17 4 0.7 0.0
230 2 7 1 34.921 69.841 0.32 4.16 4 66.5 10.1
231 7 3 -2 34.95 69.9 0.32 4.16 4 6.6 0.1
232 6 4 0 34.966 69.932 0.32 4.15 4 254.1 146.5
233 2 1 -4 34.977 69.953 0.32 4.15 4 71.9 11.7
234 5 6 -1 35.007 70.014 0.321 4.14 4 35.0 2.8
235 5 4 1 35.059 70.117 0.321 4.13 4 40.8 3.8
236 7 3 -1 35.092 70.183 0.321 4.12 4 36.1 2.9
237 7 1 -3 35.162 70.323 0.322 4.11 4 63.0 8.9
238 0 8 0 35.3 70.601 0.323 4.07 2 144.9 23.4
239 4 3 2 35.369 70.739 0.324 4.06 4 3.5 0.0
240 1 4 3 35.413 70.826 0.324 4.05 4 2.3 0.0
241 2 7 -2 35.419 70.838 0.324 4.05 4 8.6 0.2
242 6 5 -1 35.429 70.857 0.324 4.04 4 16.0 0.6
243 3 2 -4 35.439 70.877 0.324 4.04 4 10.5 0.2
244 1 7 -2 35.457 70.914 0.324 4.04 4 60.5 8.1
245 6 1 1 35.49 70.98 0.325 4.03 4 17.9 0.7
246 7 1 0 35.585 71.17 0.325 4.01 4 121.4 32.3
247 1 8 0 35.713 71.425 0.326 3.98 4 7.2 0.1
248 4 2 -4 35.775 71.549 0.327 3.97 4 2.6 0.0
249 6 5 -2 35.924 71.849 0.328 3.94 4 27.8 1.7
250 2 2 -4 35.926 71.852 0.328 3.94 4 15.4 0.5
251 0 5 3 35.933 71.866 0.328 3.93 4 0.8 0.0
252 5 1 -4 35.986 71.972 0.328 3.92 4 99.0 21.0
253 4 7 -1 36.044 72.088 0.329 3.91 4 9.8 0.2
254 7 2 -3 36.109 72.217 0.329 3.9 4 44.8 4.3
255 5 6 -2 36.14 72.281 0.33 3.89 4 41.4 3.6
256 3 7 -2 36.203 72.406 0.33 3.88 4 193.3 79.2
257 3 5 2 36.264 72.528 0.331 3.86 4 22.1 1.0
258 1 1 -4 36.288 72.575 0.331 3.86 4 92.9 18.2
259 0 7 2 36.316 72.632 0.331 3.85 4 34.9 2.6
260 2 3 3 36.345 72.69 0.331 3.85 4 28.2 1.7
261 2 6 2 36.404 72.808 0.332 3.84 4 63.0 8.3
262 6 2 1 36.434 72.867 0.332 3.83 4 63.2 8.4
263 6 4 -3 36.452 72.904 0.332 3.83 4 36.1 2.7
264 1 8 -1 36.51 73.02 0.333 3.81 4 72.0 10.8
265 7 2 0 36.527 73.055 0.333 3.81 4 16.5 0.6
266 5 5 -3 36.672 73.344 0.334 3.78 4 115.8 27.7
267 0 8 1 36.732 73.465 0.334 3.77 4 126.1 32.7
268 5 6 0 36.747 73.493 0.334 3.77 4 17.0 0.6
269 5 2 -4 36.924 73.849 0.336 3.73 4 8.9 0.2
270 2 8 0 36.938 73.876 0.336 3.73 4 67.0 9.1
271 8 0 -2 37.003 74.006 0.336 3.72 2 230.7 54.1
272 3 3 -4 37.007 74.013 0.336 3.72 4 48.4 4.8
273 4 6 1 37.022 74.044 0.337 3.72 4 38.0 2.9
274 2 8 -1 37.101 74.202 0.337 3.7 4 70.4 10.0
275 4 7 0 37.14 74.279 0.338 3.69 4 50.5 5.2
276 7 4 -2 37.149 74.299 0.338 3.69 4 12.6 0.3
277 2 6 -3 37.22 74.439 0.338 3.68 4 33.0 2.2
278 1 2 -4 37.223 74.446 0.338 3.68 4 45.2 4.1
279 7 4 -1 37.288 74.575 0.339 3.67 4 46.4 4.3
280 8 1 -2 37.314 74.627 0.339 3.66 4 37.9 2.9
281 4 3 -4 37.337 74.674 0.339 3.66 4 44.9 4.0
282 3 6 -3 37.366 74.732 0.339 3.65 4 9.3 0.2
283 3 0 3 37.456 74.912 0.34 3.64 2 14.3 0.2
284 2 3 -4 37.486 74.971 0.34 3.63 4 2.1 0.0
285 4 4 2 37.559 75.118 0.341 3.62 4 55.2 6.0
286 3 7 1 37.597 75.194 0.341 3.61 4 136.6 36.8
287 6 0 -4 37.632 75.263 0.341 3.61 2 129.3 16.5
288 7 3 -3 37.666 75.331 0.342 3.6 4 96.3 18.2
289 1 8 1 37.762 75.525 0.342 3.58 4 35.1 2.4
290 3 1 3 37.765 75.53 0.342 3.58 4 2.3 0.0
291 6 5 0 37.784 75.568 0.342 3.58 4 15.9 0.5
292 4 7 -2 37.788 75.576 0.343 3.58 4 11.6 0.3
293 5 1 2 37.797 75.593 0.343 3.58 4 124.7 30.4
294 5 5 1 37.874 75.748 0.343 3.56 4 64.4 8.1
295 1 6 -3 37.88 75.761 0.343 3.56 4 88.6 15.3
296 6 1 -4 37.94 75.88 0.344 3.55 4 25.4 1.2
297 1 7 2 37.973 75.947 0.344 3.55 4 177.4 61.0
298 6 3 1 37.985 75.971 0.344 3.55 4 2.1 0.0
299 8 1 -1 38.074 76.148 0.345 3.53 4 12.6 0.3
300 0 0 4 38.076 76.153 0.345 3.53 2 12.3 0.1
301 7 3 0 38.078 76.156 0.345 3.53 4 99.8 19.2
302 1 5 3 38.218 76.437 0.346 3.51 4 13.8 0.4
303 8 2 -2 38.24 76.479 0.346 3.51 4 162.9 50.8
304 4 6 -3 38.316 76.632 0.347 3.49 4 29.8 1.7
305 0 1 4 38.384 76.768 0.347 3.48 4 14.5 0.4
306 5 3 -4 38.469 76.938 0.348 3.47 4 34.6 2.3
307 3 8 -1 38.491 76.982 0.348 3.47 4 4.1 0.0
308 2 4 3 38.513 77.027 0.348 3.46 4 88.2 14.7
309 3 2 3 38.688 77.375 0.349 3.44 4 40.2 3.0
310 5 2 2 38.719 77.438 0.35 3.43 4 14.8 0.4
311 1 3 -4 38.764 77.528 0.35 3.42 4 38.7 2.8
312 6 6 -1 38.847 77.694 0.351 3.41 4 25.0 1.2
313 6 2 -4 38.861 77.723 0.351 3.41 4 26.7 1.3
314 3 8 0 38.948 77.897 0.351 3.4 4 3.4 0.0
315 8 2 -1 38.994 77.989 0.352 3.39 4 25.9 1.2
316 5 7 -1 39.052 78.105 0.352 3.38 4 80.6 12.0
317 3 4 -4 39.162 78.324 0.353 3.37 4 15.7 0.5
318 6 5 -3 39.23 78.46 0.354 3.36 4 36.3 2.4
319 0 2 4 39.302 78.604 0.354 3.35 4 45.7 3.8
320 6 6 -2 39.327 78.653 0.354 3.34 4 133.3 32.5
321 0 6 3 39.335 78.67 0.354 3.34 4 3.9 0.0
322 8 1 -3 39.357 78.714 0.354 3.34 4 37.3 2.5
323 4 4 -4 39.487 78.973 0.355 3.32 4 207.0 77.7
324 2 8 1 39.579 79.158 0.356 3.31 4 96.9 17.0
325 2 4 -4 39.633 79.266 0.357 3.3 4 34.0 2.1
326 3 6 2 39.656 79.312 0.357 3.3 4 1.7 0.0
327 8 3 -2 39.768 79.536 0.358 3.28 4 6.2 0.1
328 7 4 -3 39.81 79.619 0.358 3.28 4 15.8 0.4
329 7 5 -2 39.911 79.822 0.359 3.27 4 68.1 8.3
330 7 5 -1 40.046 80.093 0.36 3.25 4 17.3 0.5
331 5 6 -3 40.053 80.105 0.36 3.25 4 33.7 2.0
332 2 8 -2 40.056 80.113 0.36 3.25 4 16.0 0.5
333 1 8 -2 40.093 80.186 0.36 3.24 4 19.2 0.7
334 6 4 1 40.124 80.249 0.36 3.24 4 66.5 7.8
335 5 7 -2 40.144 80.288 0.36 3.24 4 71.9 9.1
336 3 3 3 40.211 80.422 0.361 3.23 4 9.2 0.1
337 7 4 0 40.215 80.431 0.361 3.23 4 3.1 0.0
338 5 3 2 40.242 80.484 0.361 3.22 4 30.6 1.7
339 8 2 -3 40.269 80.538 0.361 3.22 4 94.5 15.7
340 4 5 2 40.312 80.624 0.362 3.22 4 0.7 0.0
341 6 3 -4 40.383 80.766 0.362 3.21 4 38.7 2.6
342 2 7 2 40.399 80.798 0.362 3.21 4 3.2 0.0
343 8 3 -1 40.515 81.029 0.363 3.19 4 24.4 1.0
344 5 4 -4 40.601 81.202 0.364 3.18 4 12.7 0.3
345 7 1 -4 40.652 81.304 0.364 3.18 4 29.7 1.5
346 4 8 -1 40.657 81.313 0.364 3.18 4 59.3 6.1
347 5 7 0 40.731 81.462 0.365 3.17 4 106.2 19.5
348 3 8 -2 40.81 81.62 0.365 3.16 4 14.7 0.4
349 0 3 4 40.819 81.638 0.365 3.16 4 50.1 4.3
350 1 4 -4 40.891 81.783 0.366 3.15 4 3.5 0.0
351 0 8 2 40.919 81.837 0.366 3.15 4 31.5 1.7
352 1 9 0 40.943 81.886 0.366 3.14 4 90.3 14.0
353 4 7 1 40.998 81.996 0.367 3.14 4 34.4 2.0
354 7 0 1 41.023 82.046 0.367 3.14 2 37.8 1.2
355 6 6 0 41.137 82.274 0.368 3.12 4 23.6 1.0
356 2 7 -3 41.19 82.38 0.368 3.12 4 40.3 2.8
357 5 6 1 41.225 82.45 0.368 3.11 4 20.5 0.7
358 1 1 4 41.232 82.465 0.368 3.11 4 56.3 5.4
359 2 5 3 41.248 82.497 0.369 3.11 4 10.4 0.2
360 8 0 0 41.292 82.584 0.369 3.11 2 183.7 28.6
361 7 1 1 41.324 82.649 0.369 3.1 4 44.7 3.4
362 3 7 -3 41.332 82.664 0.369 3.1 4 70.7 8.5
363 7 2 -4 41.557 83.114 0.371 3.08 4 33.6 1.9
364 1 6 3 41.562 83.123 0.371 3.08 4 6.9 0.1
365 8 1 0 41.593 83.186 0.371 3.08 4 12.3 0.3
366 1 9 -1 41.709 83.417 0.372 3.07 4 8.7 0.1
367 4 8 0 41.715 83.43 0.372 3.07 4 91.7 14.1
368 8 3 -3 41.778 83.556 0.372 3.06 4 37.0 2.3
369 1 7 -3 41.833 83.667 0.373 3.05 4 174.2 50.6
370 8 4 -2 41.883 83.767 0.373 3.05 4 61.3 6.3
371 3 5 -4 41.887 83.774 0.373 3.05 4 55.0 5.0
372 0 9 1 41.923 83.846 0.373 3.05 4 18.2 0.6
373 2 9 0 42.121 84.243 0.375 3.03 4 14.9 0.4
374 1 2 4 42.135 84.27 0.375 3.03 4 21.7 0.8
375 3 8 1 42.159 84.317 0.375 3.02 4 32.0 1.7
376 4 5 -4 42.207 84.413 0.376 3.02 4 33.0 1.8
377 7 2 1 42.227 84.454 0.376 3.02 4 3.3 0.0
378 4 7 -3 42.259 84.517 0.376 3.02 4 48.7 3.9
379 2 9 -1 42.279 84.557 0.376 3.01 4 33.6 1.9
380 3 4 3 42.322 84.644 0.376 3.01 4 18.6 0.6
381 4 8 -2 42.344 84.689 0.377 3.01 4 37.9 2.4
382 2 5 -4 42.351 84.702 0.377 3.01 4 16.2 0.4
383 5 4 2 42.353 84.705 0.377 3.01 4 2.0 0.0
384 4 1 3 42.375 84.75 0.377 3.0 4 38.3 2.4
385 6 4 -4 42.492 84.985 0.378 2.99 4 54.9 4.9
386 8 2 0 42.495 84.99 0.378 2.99 4 16.9 0.5
387 1 8 2 42.525 85.049 0.378 2.99 4 5.0 0.0
388 7 5 -3 42.526 85.051 0.378 2.99 4 25.0 1.0
389 6 6 -3 42.554 85.108 0.378 2.99 4 29.2 1.4
390 8 4 -1 42.623 85.246 0.379 2.98 4 88.9 12.9
391 6 7 -1 42.778 85.557 0.38 2.97 4 54.6 4.8
392 9 1 -2 42.825 85.65 0.38 2.97 4 15.9 0.4
393 6 5 1 42.836 85.673 0.38 2.97 4 1.1 0.0
394 1 9 1 42.919 85.839 0.381 2.96 4 66.2 7.1
395 0 4 4 42.925 85.85 0.381 2.96 4 191.6 59.4
396 7 5 0 42.926 85.853 0.381 2.96 4 75.1 9.1
397 7 3 -4 43.059 86.117 0.382 2.95 4 34.3 1.9
398 6 0 2 43.066 86.131 0.382 2.95 2 97.5 7.7
399 7 6 -2 43.225 86.45 0.383 2.94 4 5.1 0.0
400 6 7 -2 43.249 86.498 0.383 2.94 4 5.0 0.0
401 0 7 3 43.257 86.514 0.383 2.93 4 61.9 6.1
402 4 2 3 43.275 86.549 0.383 2.93 4 27.1 1.2
403 5 5 -4 43.308 86.616 0.383 2.93 4 98.3 15.5
404 7 6 -1 43.359 86.717 0.384 2.93 4 1.7 0.0
405 6 1 2 43.365 86.73 0.384 2.93 4 15.3 0.4
406 3 7 2 43.573 87.145 0.385 2.91 4 59.5 5.6
407 5 8 -1 43.579 87.157 0.385 2.91 4 65.7 6.9
408 1 5 -4 43.595 87.191 0.385 2.91 4 39.8 2.5
409 4 6 2 43.621 87.242 0.386 2.91 4 80.2 10.2
410 3 9 -1 43.629 87.257 0.386 2.91 4 75.3 9.0
411 1 3 4 43.634 87.268 0.386 2.91 4 10.4 0.2
412 9 2 -2 43.724 87.447 0.386 2.9 4 10.3 0.2
413 7 3 1 43.726 87.451 0.386 2.9 4 13.3 0.3
414 8 0 -4 43.806 87.612 0.387 2.9 2 72.8 4.2
415 9 0 -1 43.867 87.733 0.387 2.89 2 10.2 0.1
416 8 4 -3 43.877 87.755 0.387 2.89 4 83.2 10.9
417 9 0 -3 43.913 87.827 0.388 2.89 2 34.2 0.9
418 5 7 -3 43.963 87.926 0.388 2.89 4 162.1 41.5
419 8 3 0 43.993 87.985 0.388 2.88 4 25.2 1.0
420 3 9 0 44.075 88.15 0.389 2.88 4 45.5 3.3
421 8 1 -4 44.105 88.21 0.389 2.88 4 22.0 0.8
422 9 1 -1 44.166 88.332 0.389 2.87 4 38.1 2.3
423 9 1 -3 44.212 88.425 0.39 2.87 4 33.1 1.7
424 6 2 2 44.263 88.526 0.39 2.87 4 74.8 8.8
425 2 0 4 44.525 89.049 0.392 2.85 2 314.6 77.2
426 2 6 3 44.548 89.095 0.392 2.85 4 4.6 0.0
427 8 5 -2 44.58 89.16 0.392 2.85 4 30.8 1.5
428 5 8 -2 44.651 89.303 0.393 2.85 4 12.8 0.3
429 2 9 1 44.694 89.387 0.393 2.84 4 7.2 0.1
430 4 3 3 44.77 89.541 0.394 2.84 4 1.6 0.0
431 2 1 4 44.824 89.647 0.394 2.84 4 53.2 4.4
432 3 0 -5 44.869 89.738 0.394 2.84 2 70.3 3.8
433 4 1 -5 44.883 89.766 0.394 2.83 4 15.1 0.4
434 2 8 2 44.903 89.806 0.395 2.83 4 58.7 5.3
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 6.295 12.59 8.1579 280.5 32.9 33.6 5.6
2 1 0 -1 8.141 16.283 6.31607 69.4 8.1 8.3 5.6
3 0 2 0 8.306 16.613 6.1915 335.7 39.4 40.1 5.6
4 2 0 0 9.496 18.991 5.42183 39.8 4.7 4.7 5.6
5 1 2 0 9.576 19.152 5.37677 10.4 1.2 1.2 5.6
6 0 1 1 9.803 19.606 5.25351 33.7 4.0 4.0 5.6
7 2 1 -1 10.808 21.617 4.76982 20.4 2.4 2.4 5.6
8 1 2 -1 11.672 23.343 4.42144 28.1 3.3 3.3 5.6
9 1 1 1 12.427 24.855 4.15637 35.6 4.2 4.2 5.6
10 2 2 0 12.667 25.334 4.07895 79.8 9.4 9.5 5.6
11 1 2 1 14.414 28.828 3.59326 9.4 1.1 1.1 5.6
12 3 1 0 14.939 29.878 3.46976 296.9 34.8 35.1 5.6
13 1 3 -1 15.003 30.006 3.45525 27.1 3.2 3.2 5.6
14 0 3 1 15.423 30.847 3.36327 36.9 4.3 4.4 5.6
15 3 2 -1 15.82 31.64 3.28103 15.9 1.9 1.9 5.6
16 2 1 1 16.137 32.273 3.21832 14.1 1.7 1.7 5.6
17 1 1 -2 17.06 34.12 3.04893 217.0 25.5 25.6 5.7
18 1 3 1 17.262 34.523 3.01432 96.3 11.3 11.4 5.7
19 1 4 0 17.486 34.972 2.97681 9.5 1.1 1.1 5.7
20 2 2 1 17.745 35.491 2.93468 32.1 3.8 3.8 5.7
21 0 0 2 17.96 35.92 2.90075 109.2 12.8 12.8 5.7
22 3 1 -2 18.284 36.567 2.85115 313.2 36.8 36.8 5.7
23 3 3 -1 18.474 36.948 2.82279 55.2 6.5 6.5 5.7
24 2 2 -2 18.539 37.078 2.81322 197.1 23.1 23.2 5.7
25 1 2 -2 18.598 37.197 2.80454 20.6 2.4 2.4 5.7
26 0 4 1 19.117 38.233 2.73123 113.3 13.3 13.3 5.7
27 3 3 0 19.204 38.408 2.7193 16.6 1.9 1.9 5.7
28 4 0 0 19.266 38.531 2.71092 392.7 46.1 46.1 5.7
29 2 4 0 19.434 38.867 2.68839 852.2 100.0 100.0 5.7
30 4 2 -1 19.5 39.0 2.67956 21.6 2.5 2.5 5.7
31 2 4 -1 19.682 39.363 2.65582 9.2 1.1 1.1 5.7
32 0 2 2 19.908 39.817 2.62676 119.7 14.0 14.0 5.7
33 4 0 -2 20.25 40.499 2.58433 70.7 8.3 8.3 5.7
34 1 4 1 20.668 41.336 2.53422 22.9 2.7 2.7 5.7
35 1 3 -2 20.947 41.893 2.50199 230.3 27.0 26.9 5.7
36 1 1 2 20.976 41.951 2.49869 149.6 17.6 17.5 5.7
37 4 2 0 21.112 42.224 2.48331 60.9 7.1 7.1 5.7
38 4 2 -2 22.027 44.055 2.38491 76.4 9.0 8.9 5.7
39 1 5 -1 22.826 45.652 2.30568 41.2 4.8 4.8 5.7
40 3 3 1 23.852 47.705 2.21192 26.0 3.0 3.0 5.7
41 5 1 -2 23.982 47.965 2.20063 12.6 1.5 1.5 5.7
42 1 3 2 24.341 48.682 2.17012 109.6 12.9 12.7 5.7
43 5 1 0 24.753 49.507 2.13622 67.6 7.9 7.8 5.7
44 2 2 2 25.493 50.986 2.07819 15.9 1.9 1.8 5.8
45 3 1 -3 25.528 51.055 2.07557 162.1 19.0 18.8 5.8
46 0 6 0 25.683 51.367 2.06383 25.3 3.0 2.9 5.8
47 3 5 0 25.964 51.928 2.04304 99.8 11.7 11.5 5.8
48 4 4 0 26.013 52.026 2.03948 39.0 4.6 4.5 5.8
49 1 6 0 26.179 52.358 2.02744 11.5 1.3 1.3 5.8
50 3 2 -3 26.663 53.326 1.99327 12.5 1.5 1.4 5.8
51 4 4 -2 26.799 53.598 1.9839 23.4 2.7 2.7 5.8
52 5 3 -2 27.059 54.119 1.96621 91.2 10.7 10.5 5.8
53 1 5 -2 27.365 54.73 1.94592 31.8 3.7 3.7 5.8
54 6 0 -2 27.541 55.082 1.93447 17.2 2.0 2.0 5.8
55 2 6 0 27.628 55.257 1.92882 46.5 5.5 5.4 5.8
56 5 3 0 27.768 55.537 1.91986 61.9 7.3 7.1 5.8
57 4 3 1 28.088 56.175 1.89979 11.6 1.4 1.3 5.8
58 3 5 -2 28.223 56.446 1.8914 16.3 1.9 1.9 5.8
59 3 3 -3 28.485 56.969 1.87548 26.3 3.1 3.0 5.8
60 6 2 -2 28.975 57.949 1.84644 78.6 9.2 9.0 5.8
61 3 5 1 29.802 59.603 1.79973 47.4 5.6 5.4 5.8
62 2 4 2 29.858 59.716 1.79663 10.6 1.2 1.2 5.8
63 5 1 1 30.112 60.223 1.78291 53.6 6.3 6.1 5.8
64 1 5 2 30.222 60.444 1.777 14.6 1.7 1.7 5.8
65 6 3 -2 30.706 61.413 1.75164 10.7 1.2 1.2 5.8
66 2 4 -3 30.756 61.513 1.74909 32.8 3.9 3.7 5.8
67 3 3 2 31.073 62.147 1.733 88.6 10.4 10.1 5.8
68 2 6 -2 31.181 62.361 1.72763 62.7 7.4 7.2 5.8
69 1 7 -1 31.674 63.348 1.70345 54.3 6.4 6.2 5.9
70 0 6 2 32.134 64.268 1.68164 17.0 2.0 1.9 5.9
71 7 1 -2 32.357 64.713 1.6713 20.3 2.4 2.3 5.9
72 6 4 -1 32.525 65.049 1.66361 15.6 1.8 1.8 5.9
73 6 2 -3 32.608 65.216 1.65982 22.3 2.6 2.5 5.9
74 5 3 1 32.799 65.598 1.65124 21.7 2.5 2.5 5.9
75 6 4 -2 33.04 66.081 1.64052 72.2 8.5 8.2 5.9
76 1 3 3 33.164 66.329 1.63508 28.8 3.4 3.3 5.9
77 5 5 0 33.245 66.49 1.63158 13.8 1.6 1.6 5.9
78 2 5 -3 33.739 67.477 1.61046 19.5 2.3 2.2 5.9
79 4 2 2 33.77 67.539 1.60916 55.1 6.5 6.2 5.9
80 3 5 -3 33.891 67.782 1.60408 13.6 1.6 1.5 5.9
81 3 7 0 34.259 68.518 1.58892 18.4 2.2 2.1 5.9
82 1 5 -3 34.427 68.853 1.58213 43.5 5.1 4.9 5.9
83 2 0 -4 34.658 69.316 1.57288 124.5 14.6 14.0 5.9
84 2 2 3 34.765 69.53 1.56865 14.6 1.7 1.6 5.9
85 2 7 1 34.921 69.841 1.56254 10.2 1.2 1.1 5.9
86 6 4 0 34.966 69.932 1.56078 158.3 18.6 17.8 5.9
87 7 1 -3 35.162 70.323 1.55319 8.9 1.0 1.0 5.9
88 0 8 0 35.3 70.601 1.54788 23.4 2.7 2.6 5.9
89 7 1 0 35.585 71.17 1.53711 32.3 3.8 3.6 5.9
90 5 1 -4 35.986 71.972 1.52226 21.0 2.5 2.4 5.9
91 3 7 -2 36.203 72.406 1.51437 79.2 9.3 8.9 5.9
92 1 1 -4 36.288 72.575 1.51132 23.4 2.8 2.6 6.0
93 6 2 1 36.434 72.867 1.5061 19.4 2.3 2.2 6.0
94 1 8 -1 36.51 73.02 1.50339 11.4 1.3 1.3 6.0
95 5 5 -3 36.672 73.344 1.49768 27.7 3.3 3.1 6.0
96 0 8 1 36.732 73.465 1.49556 33.3 3.9 3.7 6.0
97 2 8 0 36.938 73.876 1.48841 9.1 1.1 1.0 6.0
98 8 0 -2 37.003 74.006 1.48617 61.8 7.2 6.9 6.0
99 2 8 -1 37.101 74.202 1.48281 10.0 1.2 1.1 6.0
100 3 7 1 37.597 75.194 1.46608 36.8 4.3 4.1 6.0
101 6 0 -4 37.632 75.263 1.46493 16.5 1.9 1.8 6.0
102 7 3 -3 37.666 75.331 1.4638 18.2 2.1 2.0 6.0
103 5 1 2 37.797 75.593 1.45948 30.4 3.6 3.4 6.0
104 1 6 -3 37.88 75.761 1.45674 23.4 2.7 2.6 6.0
105 1 7 2 37.973 75.947 1.45371 61.1 7.2 6.8 6.0
106 7 3 0 38.078 76.156 1.45032 19.2 2.3 2.1 6.0
107 8 2 -2 38.24 76.479 1.44512 50.8 6.0 5.6 6.0
108 2 4 3 38.513 77.027 1.43643 14.7 1.7 1.6 6.0
109 5 7 -1 39.052 78.105 1.41971 12.0 1.4 1.3 6.0
110 6 6 -2 39.327 78.653 1.4114 36.3 4.3 4.0 6.0
111 4 4 -4 39.487 78.973 1.40661 77.7 9.1 8.6 6.0
112 2 8 1 39.579 79.158 1.40386 17.0 2.0 1.9 6.0
113 5 7 -2 40.144 80.288 1.38738 17.0 2.0 1.9 6.0
114 8 2 -3 40.269 80.538 1.38381 17.4 2.0 1.9 6.1
115 5 7 0 40.731 81.462 1.37081 19.5 2.3 2.1 6.1
116 1 9 0 40.943 81.886 1.36495 15.7 1.8 1.7 6.1
117 8 0 0 41.292 82.584 1.35546 28.6 3.4 3.1 6.1
118 3 7 -3 41.332 82.664 1.35437 11.9 1.4 1.3 6.1
119 4 8 0 41.715 83.43 1.34419 14.1 1.7 1.5 6.1
120 1 7 -3 41.833 83.667 1.34109 50.6 5.9 5.5 6.1
121 8 4 -2 41.883 83.767 1.33978 11.3 1.3 1.2 6.1
122 8 4 -1 42.623 85.246 1.32088 12.9 1.5 1.4 6.1
123 7 5 0 42.926 85.853 1.31334 75.6 8.9 8.2 6.1
124 6 0 2 43.066 86.131 1.30992 9.6 1.1 1.0 6.1
125 5 5 -4 43.308 86.616 1.30404 15.5 1.8 1.7 6.1
126 5 8 -1 43.579 87.157 1.29754 15.0 1.8 1.6 6.2
127 4 6 2 43.621 87.242 1.29654 19.4 2.3 2.1 6.2
128 8 4 -3 43.877 87.755 1.29049 10.9 1.3 1.2 6.2
129 5 7 -3 43.963 87.926 1.28848 42.5 5.0 4.6 6.2
130 6 2 2 44.263 88.526 1.28155 8.8 1.0 0.9 6.2
131 2 0 4 44.525 89.049 1.27558 77.2 9.1 8.3 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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