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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HEFLIKITE
2
Ca(2)[Al(2)(Sc,Fe)][Si(2)O(7)][SiO(4)]O(OH)
Monoclinic P 2(1)/m Z = 2
R =0.0637 NR =1017
30 .7 .25
Ref.Str.:
Pieczka A., Kristiansen R., Stachowicz M., Dumanska-Slowik M.,
Golebiowska B., Sek M.P., Nejbert K., Kotowski J., Marciniak-Maliszewska B.,
Szuszkiewicz A., Szeleg E. and Wozniak K. (2024)
* Mineral. Mag., 88, 228-243. https://doi.org/10.1180/mgm.2023.98
L: $Ca1.644 Ce0.235 La0.082 Nd0.021 Gd0.018 Pr0.015 Eu2+0.004 Al1.958
Sc0.362 Fe3+0.128 Fe2+0.434 Mn0.009 Ti0.029 Sn0.029 Si3.033 O13 H1$
R: Locality - Heftetjern pegmatite, Tordal region, Norway.
IMA2022-139. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.9232 alpha = 90.0
b = 5.6746 beta = 115.0
c = 10.1626 gamma = 90.0
Unit cell volume (cub. angs.) = 466.37
Molar volume ( cub.cm/mol.) = 140.46
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7607 0.75 0.1517 0.0 Ca = 1.00
2 0.5968 0.75 0.4266 0.0 Ca = 0.64, Ce = 0.36
3 0.0 0.0 0.0 0.0 Al = 0.94, Al = 0.0
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.2981 0.25 0.2176 0.0 Sc = 0.48, Fe = 0.52
6 0.34 0.75 0.044 0.0 Si = 1.00
7 0.688 0.25 0.2773 0.0 Si = 1.00
8 0.1854 0.75 0.3202 0.0 Si = 1.00
9 0.2354 0.9918 0.0373 0.0 O = 1.00
10 0.3075 0.9776 0.3593 0.0 O = 1.00
11 0.7971 0.0148 0.3376 0.0 O = 1.00
12 0.0518 0.25 0.1296 0.0 O = 1.00
13 0.0443 0.75 0.1483 0.0 O = 1.00
14 0.0679 0.75 0.4093 0.0 O = 1.00
15 0.5127 0.75 0.1789 0.0 O = 1.00
16 0.534 0.25 0.3208 0.0 O = 1.00
17 0.6233 0.25 0.1015 0.0 O = 1.00
18 0.0865 0.25 0.4308 0.0 O = 1.00
19 0.054 0.25 0.327 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7607 0.75 0.1517
2 2 0.5968 0.75 0.4266
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.2981 0.25 0.2176
6 6 0.34 0.75 0.044
7 7 0.688 0.25 0.2773
8 8 0.1854 0.75 0.3202
9 9 0.2354 0.9918 0.0373
10 10 0.3075 0.9776 0.3593
11 11 0.7971 0.0148 0.3376
12 12 0.0518 0.25 0.1296
13 13 0.0443 0.75 0.1483
14 14 0.0679 0.75 0.4093
15 15 0.5127 0.75 0.1789
16 16 0.534 0.25 0.3208
17 17 0.6233 0.25 0.1015
18 18 0.0865 0.25 0.4308
19 19 0.054 0.25 0.327
20 1 0.2393 0.25 0.8483
21 2 0.4032 0.25 0.5734
22 3 0.0 0.5 0.0
23 4 0.0 0.5 0.5
24 5 0.7019 0.75 0.7824
25 6 0.66 0.25 0.956
26 7 0.312 0.75 0.7227
27 8 0.8146 0.25 0.6798
28 9 0.7646 0.4918 0.9627
29 10 0.6925 0.4776 0.6407
30 11 0.2029 0.5148 0.6624
31 12 0.9482 0.75 0.8704
32 13 0.9557 0.25 0.8517
33 14 0.9321 0.25 0.5907
34 15 0.4873 0.25 0.8211
35 16 0.466 0.75 0.6792
36 17 0.3767 0.75 0.8985
37 18 0.9135 0.75 0.5692
38 19 0.946 0.75 0.673
39 9 0.2354 0.5082 0.0373
40 10 0.3075 0.5224 0.3593
41 11 0.7971 0.4852 0.3376
42 9 0.7646 0.0082 0.9627
43 10 0.6925 0.0224 0.6407
44 11 0.2029 0.9852 0.6624
X-ray density (g/cm cub.) = 3.65
MU (1/cm) = 366.854 Mass attenuation coefficient (cm**2/g) = 100.496
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 6
2.3268 11
2.5454 13
2.3432 15
2.4277 9
2.3268 11
2.4277 9
2 Ca ,Ce 2.88 8
2.7033 10
2.7633 11
2.3026 15
2.5066 10
2.5738 18
2.7033 10
2.7633 11
2.5066 10
3 Al ,Al 2.316 6
1.971 9
1.8564 12
1.9841 13
1.8564 12
1.9841 13
1.971 9
4 Al 2.316 6
1.8663 11
1.9239 14
1.8873 18
1.9239 14
1.8873 18
1.8663 11
5 Sc ,Fe 2.628 6
2.2251 9
2.0899 10
1.9922 12
1.9144 16
2.2251 9
2.0899 10
6 Si 2.1 4
1.6446 9
1.5711 15
1.6441 17
1.6446 9
7 Si 2.1 4
1.6126 11
1.6116 16
1.6289 17
1.6126 11
8 Si 2.1 4
1.627 10
1.6667 13
1.6498 14
1.627 10
9 O 3.264 9
3.0576 10
2.6476 12
2.7729 13
2.6583 15
2.7664 12
2.8204 13
2.6392 17
2.9304 9
2.7442 9
10 O 3.264 9
3.0576 9
2.9228 12
2.7432 13
2.7232 14
2.7011 16
2.8315 18
3.2173 16
3.0915 10
2.5831 10
11 O 3.264 9
2.672 14
2.7999 15
2.6426 16
2.6073 17
2.6981 18
2.6888 14
2.6096 18
2.6693 11
3.0053 11
12 O 3.264 10
2.6476 9
2.9228 10
2.8463 13
2.8463 13
2.9435 18
2.7664 9
2.5815 13
2.6476 9
2.9228 10
2.7664 9
13 O 3.264 10
2.7729 9
2.7432 10
2.8463 12
2.8463 12
2.5705 14
2.8204 9
2.5815 12
2.7729 9
2.7432 10
2.8204 9
14 O 3.264 10
2.7232 10
2.672 11
2.5705 13
2.8452 18
2.8452 18
2.6888 11
2.536 18
2.7232 10
2.672 11
2.6888 11
15 O 3.264 9
2.6583 9
2.7999 11
3.1519 16
3.1519 16
3.2092 17
3.2092 17
2.5826 17
2.6583 9
2.7999 11
16 O 3.264 9
2.7011 10
2.6426 11
3.1519 15
3.1519 15
2.6651 17
3.2173 10
2.7011 10
2.6426 11
3.2173 10
17 O 3.264 8
2.6073 11
3.2092 15
3.2092 15
2.6651 16
2.6392 9
2.5826 15
2.6073 11
2.6392 9
18 O 3.264 10
2.8315 10
2.6981 11
2.9435 12
2.8452 14
2.8452 14
2.6096 11
2.536 14
2.8315 10
2.6981 11
2.6096 11
19 H 1.632 1
0.9687 18
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 0 1 4.797 9.595 0.054 282.97 2 18.8 92.2
2 1 0 0 5.466 10.931 0.062 217.48 2 10.4 21.5
3 1 0 -1 5.544 11.088 0.063 211.31 2 23.7 109.0
4 1 0 1 8.685 17.369 0.098 84.78 2 10.6 8.8
5 1 0 -2 8.834 17.667 0.1 81.87 2 50.6 192.4
6 0 1 1 9.174 18.348 0.103 75.75 4 13.3 24.8
7 1 1 0 9.545 19.09 0.108 69.81 4 25.0 80.0
8 1 1 -1 9.591 19.182 0.108 69.13 4 1.3 0.2
9 0 0 2 9.629 19.258 0.109 68.56 2 15.0 14.1
10 2 0 -1 9.943 19.887 0.112 64.16 2 8.2 3.9
11 2 0 0 10.982 21.963 0.124 52.21 2 51.8 129.0
12 2 0 -2 11.141 22.281 0.125 50.68 2 43.8 89.5
13 1 1 1 11.715 23.43 0.132 45.63 4 24.7 51.1
14 1 1 -2 11.827 23.654 0.133 44.73 4 9.2 6.9
15 0 1 2 12.44 24.88 0.14 40.23 4 20.9 32.4
16 2 1 -1 12.688 25.376 0.143 38.59 4 88.5 555.3
17 1 0 2 12.989 25.977 0.146 36.73 2 26.0 22.8
18 1 0 -3 13.158 26.317 0.148 35.74 2 17.4 9.9
19 2 1 0 13.527 27.055 0.152 33.71 4 28.5 50.5
20 2 1 -2 13.658 27.317 0.153 33.03 4 8.6 4.5
21 2 0 1 13.782 27.563 0.155 32.4 2 77.1 177.3
22 2 0 -3 14.038 28.076 0.157 31.16 2 5.8 1.0
23 0 0 3 14.531 29.061 0.163 28.95 2 23.8 15.1
24 3 0 -1 15.166 30.332 0.17 26.41 2 10.4 2.7
25 1 1 2 15.222 30.445 0.17 26.21 4 22.7 24.9
26 3 0 -2 15.255 30.51 0.171 26.09 2 91.2 199.4
27 1 1 -3 15.369 30.739 0.172 25.67 4 167.0 1316.1
28 0 2 0 15.753 31.505 0.176 24.34 2 159.1 566.9
29 2 1 1 15.913 31.826 0.178 23.82 4 55.1 133.0
30 2 1 -3 16.139 32.277 0.18 23.1 4 10.3 4.5
31 0 2 1 16.503 33.007 0.184 22.01 4 6.2 1.6
32 0 1 3 16.575 33.149 0.185 21.81 4 104.5 437.8
33 3 0 0 16.603 33.207 0.185 21.73 2 93.3 174.0
34 1 2 0 16.721 33.441 0.187 21.4 4 87.1 298.5
35 1 2 -1 16.748 33.496 0.187 21.32 4 9.3 3.4
36 3 0 -3 16.848 33.695 0.188 21.05 2 45.5 40.0
37 3 1 -1 17.142 34.284 0.191 20.27 4 132.2 651.1
38 3 1 -2 17.221 34.443 0.192 20.07 4 24.3 21.9
39 2 0 2 17.577 35.154 0.196 19.19 2 121.1 258.8
40 1 0 3 17.679 35.357 0.197 18.95 2 2.7 0.1
41 1 0 -4 17.859 35.718 0.199 18.54 2 50.0 42.6
42 2 0 -4 17.887 35.773 0.199 18.47 2 37.0 23.3
43 1 2 1 18.098 36.197 0.202 18.0 4 12.6 5.3
44 1 2 -2 18.174 36.348 0.202 17.84 4 50.6 84.0
45 3 1 0 18.442 36.884 0.205 17.27 4 5.3 0.9
46 0 2 2 18.595 37.19 0.207 16.96 4 69.8 151.9
47 3 1 -3 18.665 37.331 0.208 16.82 4 97.4 293.8
48 2 2 -1 18.768 37.537 0.209 16.62 4 37.6 43.3
49 3 0 1 19.264 38.527 0.214 15.69 2 22.0 7.0
50 2 1 2 19.335 38.671 0.215 15.56 4 18.1 9.4
51 2 2 0 19.369 38.738 0.215 15.5 4 3.5 0.3
52 1 1 3 19.429 38.858 0.216 15.39 4 36.5 37.7
53 2 2 -2 19.464 38.929 0.216 15.33 4 72.0 146.2
54 0 0 4 19.544 39.088 0.217 15.19 2 19.6 5.4
55 1 1 -4 19.595 39.19 0.218 15.11 4 38.8 41.8
56 2 1 -4 19.621 39.242 0.218 15.06 4 47.9 63.7
57 3 0 -4 19.621 39.242 0.218 15.06 2 56.3 43.9
58 4 0 -2 20.203 40.406 0.224 14.11 2 42.8 23.8
59 1 2 2 20.637 41.274 0.229 13.46 4 33.6 28.0
60 4 0 -1 20.724 41.447 0.23 13.34 2 139.5 238.6
61 1 2 -3 20.75 41.5 0.23 13.3 4 58.2 82.9
62 3 1 1 20.901 41.801 0.232 13.08 4 18.8 8.5
63 4 0 -3 20.904 41.807 0.232 13.08 2 56.4 38.3
64 0 1 4 21.163 42.326 0.234 12.72 4 44.9 47.1
65 2 2 1 21.173 42.346 0.234 12.71 4 99.6 231.8
66 3 1 -4 21.235 42.47 0.235 12.63 4 14.1 4.6
67 2 2 -3 21.35 42.7 0.236 12.48 4 110.5 280.3
68 0 2 3 21.695 43.39 0.24 12.03 4 85.4 161.6
69 4 1 -2 21.782 43.563 0.241 11.93 4 15.0 4.9
70 2 0 3 21.943 43.885 0.243 11.73 2 101.8 111.9
71 3 2 -1 22.15 44.299 0.245 11.49 4 27.5 16.0
72 3 2 -2 22.214 44.427 0.245 11.41 4 37.4 29.3
73 4 1 -1 22.272 44.544 0.246 11.34 4 11.1 2.5
74 2 0 -5 22.286 44.572 0.246 11.33 2 34.9 12.7
75 4 0 0 22.395 44.79 0.247 11.2 2 57.1 33.6
76 4 1 -3 22.442 44.884 0.248 11.15 4 10.9 2.5
77 1 0 4 22.619 45.237 0.25 10.96 2 18.3 3.4
78 4 0 -4 22.733 45.466 0.251 10.83 2 41.0 16.8
79 3 0 2 22.789 45.577 0.251 10.77 2 0.7 0.0
80 1 0 -5 22.808 45.615 0.252 10.75 2 9.1 0.8
81 3 2 0 23.213 46.426 0.256 10.33 4 22.5 9.6
82 3 0 -5 23.225 46.45 0.256 10.32 2 45.4 19.6
83 3 2 -3 23.398 46.796 0.258 10.15 4 0.3 0.0
84 2 1 3 23.426 46.853 0.258 10.12 4 47.6 42.1
85 2 1 -5 23.753 47.505 0.261 9.81 4 3.0 0.2
86 4 1 0 23.857 47.713 0.263 9.71 4 18.1 5.9
87 2 2 2 23.959 47.918 0.264 9.62 4 104.5 193.3
88 1 2 3 24.038 48.075 0.264 9.55 4 42.7 32.0
89 1 1 4 24.07 48.139 0.265 9.52 4 63.3 70.2
90 1 2 -4 24.178 48.356 0.266 9.42 4 40.8 28.8
91 4 1 -4 24.179 48.357 0.266 9.42 4 11.7 2.4
92 2 2 -4 24.2 48.4 0.266 9.4 4 97.2 163.5
93 3 1 2 24.232 48.464 0.266 9.37 4 63.3 69.1
94 1 1 -5 24.25 48.5 0.267 9.36 4 33.9 19.8
95 0 3 1 24.565 49.13 0.27 9.09 4 8.3 1.2
96 3 1 -5 24.649 49.298 0.271 9.02 4 21.4 7.6
97 0 0 5 24.718 49.437 0.271 8.96 2 35.8 10.5
98 1 3 0 24.722 49.444 0.271 8.96 4 41.3 28.0
99 1 3 -1 24.742 49.483 0.272 8.94 4 3.8 0.2
100 4 0 1 25.036 50.071 0.275 8.7 2 22.9 4.2
101 3 2 1 25.293 50.587 0.277 8.5 4 35.7 20.0
102 4 0 -5 25.501 51.001 0.279 8.34 2 14.1 1.5
103 0 2 4 25.52 51.04 0.28 8.33 4 44.9 30.9
104 3 2 -4 25.583 51.165 0.28 8.28 4 25.5 9.9
105 5 0 -2 25.655 51.31 0.281 8.23 2 94.1 67.0
106 1 3 1 25.742 51.484 0.282 8.17 4 27.6 11.4
107 5 0 -3 25.751 51.502 0.282 8.16 2 20.7 3.2
108 1 3 -2 25.799 51.598 0.283 8.13 4 2.9 0.1
109 4 2 -2 26.058 52.116 0.285 7.94 4 53.2 41.4
110 0 1 5 26.081 52.162 0.285 7.93 4 17.7 4.6
111 0 3 2 26.119 52.238 0.286 7.9 4 16.1 3.7
112 2 3 -1 26.252 52.504 0.287 7.81 4 73.2 77.0
113 4 1 1 26.386 52.772 0.288 7.72 4 8.6 1.1
114 4 2 -1 26.488 52.975 0.29 7.65 4 49.1 34.0
115 5 0 -1 26.575 53.149 0.29 7.6 2 38.8 10.5
116 4 2 -3 26.637 53.274 0.291 7.56 4 0.8 0.0
117 2 0 4 26.713 53.425 0.292 7.51 2 46.3 14.8
118 2 3 0 26.717 53.433 0.292 7.5 4 27.7 10.6
119 2 3 -2 26.791 53.582 0.293 7.46 4 10.8 1.6
120 4 1 -5 26.834 53.669 0.293 7.43 4 80.3 88.2
121 5 0 -4 26.854 53.708 0.293 7.42 2 19.4 2.6
122 3 0 3 26.935 53.871 0.294 7.37 2 2.0 0.0
123 5 1 -2 26.984 53.967 0.295 7.34 4 45.9 28.5
124 5 1 -3 27.076 54.152 0.295 7.28 4 17.5 4.1
125 2 0 -6 27.083 54.167 0.296 7.28 2 93.2 58.1
126 3 0 -6 27.432 54.865 0.299 7.07 2 76.3 37.9
127 2 2 3 27.509 55.018 0.3 7.02 4 18.9 4.6
128 1 3 2 27.719 55.438 0.302 6.9 4 14.9 2.8
129 2 2 -5 27.8 55.6 0.303 6.86 4 0.6 0.0
130 1 0 5 27.805 55.611 0.303 6.85 2 56.6 20.2
131 1 3 -3 27.81 55.619 0.303 6.85 4 115.5 168.0
132 5 1 -1 27.872 55.745 0.303 6.82 4 105.5 139.5
133 4 2 0 27.893 55.786 0.304 6.8 4 60.1 45.2
134 1 0 -6 28.004 56.009 0.305 6.74 2 157.0 152.9
135 2 1 4 28.006 56.012 0.305 6.74 4 54.9 37.4
136 1 2 4 28.084 56.168 0.306 6.7 4 72.6 65.0
137 5 1 -4 28.143 56.286 0.306 6.67 4 54.3 36.2
138 2 3 1 28.15 56.301 0.306 6.66 4 45.2 25.1
139 4 2 -4 28.182 56.363 0.307 6.65 4 133.2 216.8
140 3 1 3 28.222 56.444 0.307 6.63 4 26.7 8.7
141 3 2 2 28.229 56.458 0.307 6.62 4 79.1 76.3
142 1 2 -5 28.246 56.491 0.307 6.61 4 16.5 3.3
143 2 3 -3 28.294 56.588 0.308 6.59 4 4.2 0.2
144 2 1 -6 28.365 56.73 0.308 6.55 4 47.8 27.5
145 5 0 0 28.44 56.88 0.309 6.51 2 38.8 9.0
146 4 0 2 28.453 56.907 0.309 6.5 2 6.3 0.2
147 0 3 3 28.575 57.15 0.31 6.44 4 80.0 75.8
148 3 2 -5 28.604 57.209 0.311 6.43 4 18.9 4.2
149 3 1 -6 28.704 57.408 0.312 6.38 4 33.4 13.1
150 5 0 -5 28.884 57.769 0.314 6.29 2 5.1 0.2
151 3 3 -1 28.948 57.897 0.314 6.26 4 114.3 150.4
152 3 3 -2 29.001 58.003 0.315 6.23 4 34.8 13.9
153 4 0 -6 29.021 58.042 0.315 6.22 2 151.8 131.8
154 1 1 5 29.066 58.132 0.315 6.2 4 100.7 115.6
155 1 1 -6 29.26 58.519 0.317 6.11 4 17.7 3.5
156 5 1 0 29.683 59.367 0.321 5.91 4 55.2 33.1
157 4 1 2 29.696 59.393 0.322 5.91 4 97.6 103.5
158 3 3 0 29.833 59.666 0.323 5.85 4 4.1 0.2
159 0 2 5 29.905 59.809 0.324 5.81 4 24.7 6.5
160 3 3 -3 29.989 59.978 0.324 5.78 4 67.8 48.8
161 5 1 -5 30.116 60.232 0.326 5.72 4 33.5 11.8
162 0 0 6 30.119 60.237 0.326 5.72 2 34.1 6.1
163 4 2 1 30.184 60.368 0.326 5.7 4 9.4 0.9
164 4 1 -6 30.249 60.499 0.327 5.67 4 16.1 2.7
165 2 3 2 30.463 60.926 0.329 5.58 4 16.5 2.8
166 1 3 3 30.53 61.06 0.33 5.55 4 14.9 2.3
167 4 2 -5 30.595 61.191 0.33 5.53 4 47.4 22.9
168 1 3 -4 30.649 61.299 0.331 5.5 4 22.1 4.9
169 2 3 -4 30.668 61.336 0.331 5.5 4 29.7 8.9
170 5 2 -2 30.733 61.465 0.332 5.47 4 0.7 0.0
171 5 2 -3 30.818 61.635 0.333 5.44 4 10.6 1.1
172 5 0 1 31.143 62.285 0.336 5.31 2 13.6 0.9
173 6 0 -3 31.2 62.4 0.336 5.29 2 38.4 7.2
174 0 1 6 31.321 62.641 0.337 5.25 4 7.5 0.5
175 6 0 -2 31.55 63.099 0.34 5.16 2 6.1 0.2
176 5 2 -1 31.553 63.107 0.34 5.16 4 50.1 23.9
177 3 0 4 31.587 63.174 0.34 5.15 2 39.4 7.3
178 3 3 1 31.607 63.215 0.34 5.14 4 5.0 0.2
179 2 2 4 31.677 63.355 0.341 5.12 4 49.6 23.2
180 5 0 -6 31.731 63.462 0.341 5.1 2 26.8 3.4
181 6 0 -4 31.751 63.501 0.342 5.09 2 110.4 57.0
182 0 3 4 31.804 63.607 0.342 5.07 4 34.7 11.2
183 5 2 -4 31.804 63.609 0.342 5.07 4 109.9 112.7
184 2 0 5 31.851 63.702 0.343 5.06 2 21.0 2.1
185 3 3 -4 31.858 63.716 0.343 5.05 4 7.1 0.5
186 3 2 3 31.878 63.756 0.343 5.05 4 15.1 2.1
187 2 2 -6 32.011 64.022 0.344 5.0 4 89.9 74.3
188 3 0 -7 32.137 64.275 0.345 4.96 2 10.7 0.5
189 2 0 -7 32.25 64.5 0.346 4.92 2 23.3 2.5
190 4 3 -2 32.272 64.545 0.347 4.91 4 7.5 0.5
191 5 1 1 32.323 64.645 0.347 4.9 4 39.7 14.2
192 3 2 -6 32.326 64.653 0.347 4.9 4 81.5 59.8
193 6 1 -3 32.379 64.758 0.348 4.88 4 5.5 0.3
194 4 0 3 32.513 65.027 0.349 4.84 2 70.6 22.2
195 4 3 -1 32.649 65.298 0.35 4.79 4 4.2 0.2
196 1 2 5 32.665 65.329 0.35 4.79 4 18.6 3.0
197 6 1 -2 32.722 65.443 0.351 4.77 4 35.3 10.9
198 3 1 4 32.758 65.516 0.351 4.76 4 0.8 0.0
199 4 3 -3 32.78 65.561 0.351 4.75 4 13.2 1.5
200 6 0 -1 32.784 65.568 0.351 4.75 2 0.2 0.0
201 1 2 -6 32.845 65.691 0.352 4.73 4 38.8 13.1
202 0 4 0 32.886 65.772 0.352 4.72 2 252.4 276.4
203 5 1 -6 32.899 65.799 0.353 4.72 4 18.5 3.0
204 6 1 -4 32.919 65.837 0.353 4.71 4 44.7 17.3
205 2 1 5 33.017 66.034 0.354 4.68 4 94.2 76.4
206 4 0 -7 33.17 66.34 0.355 4.63 2 18.9 1.5
207 6 0 -5 33.177 66.354 0.355 4.63 2 43.3 8.0
208 5 2 0 33.243 66.485 0.356 4.61 4 34.1 9.9
209 4 2 2 33.255 66.509 0.356 4.61 4 136.8 158.6
210 1 0 6 33.29 66.58 0.356 4.6 2 22.2 2.1
211 3 1 -7 33.298 66.596 0.356 4.6 4 53.3 24.0
212 0 4 1 33.324 66.648 0.357 4.59 4 11.5 1.1
213 2 1 -7 33.409 66.818 0.357 4.56 4 47.3 18.8
214 1 4 0 33.453 66.907 0.358 4.55 4 9.6 0.8
215 1 4 -1 33.47 66.939 0.358 4.55 4 14.2 1.7
216 1 0 -7 33.502 67.003 0.358 4.54 2 23.9 2.4
217 2 3 3 33.552 67.104 0.359 4.52 4 34.2 9.7
218 5 2 -5 33.649 67.298 0.36 4.5 4 10.6 0.9
219 4 1 3 33.667 67.335 0.36 4.49 4 15.3 1.9
220 4 2 -6 33.775 67.549 0.361 4.46 4 49.2 19.9
221 2 3 -5 33.811 67.622 0.361 4.45 4 1.5 0.0
222 4 3 0 33.894 67.789 0.362 4.43 4 15.2 1.9
223 6 1 -1 33.933 67.867 0.362 4.42 4 52.1 22.0
224 1 3 4 34.065 68.13 0.364 4.38 4 63.4 32.4
225 4 3 -4 34.152 68.305 0.364 4.36 4 4.5 0.2
226 3 3 2 34.195 68.39 0.365 4.35 4 38.2 11.7
227 1 3 -5 34.21 68.419 0.365 4.34 4 25.4 5.1
228 1 4 1 34.303 68.606 0.366 4.32 4 11.6 1.1
229 4 1 -7 34.313 68.626 0.366 4.32 4 61.3 29.8
230 6 1 -5 34.32 68.64 0.366 4.31 4 25.8 5.3
231 1 4 -2 34.351 68.703 0.366 4.31 4 29.9 7.1
232 1 1 6 34.431 68.862 0.367 4.29 4 14.3 1.6
233 3 3 -5 34.532 69.064 0.368 4.26 4 28.6 6.4
234 5 0 2 34.58 69.159 0.368 4.25 2 74.2 21.5
235 0 4 2 34.621 69.242 0.369 4.24 4 12.5 1.2
236 1 1 -7 34.639 69.278 0.369 4.23 4 6.8 0.4
237 2 4 -1 34.734 69.467 0.37 4.21 4 5.5 0.2
238 0 2 6 34.787 69.574 0.37 4.2 4 71.5 39.5
239 6 0 0 34.854 69.708 0.371 4.18 2 9.5 0.3
240 2 4 0 35.129 70.257 0.374 4.11 4 27.9 5.9
241 2 4 -2 35.192 70.384 0.374 4.1 4 23.0 4.0
242 5 0 -7 35.297 70.593 0.375 4.08 2 15.0 0.8
243 6 0 -6 35.426 70.852 0.376 4.05 2 34.0 4.3
244 5 1 2 35.701 71.402 0.379 3.98 4 41.3 12.5
245 0 3 5 35.71 71.42 0.379 3.98 4 13.8 1.4
246 5 2 1 35.739 71.478 0.379 3.98 4 26.3 5.1
247 6 2 -3 35.793 71.585 0.38 3.96 4 39.6 11.4
248 0 0 7 35.833 71.666 0.38 3.96 2 40.3 5.9
249 4 3 1 35.965 71.93 0.381 3.93 4 5.1 0.2
250 6 1 0 35.972 71.944 0.381 3.93 4 7.4 0.4
251 1 4 2 35.99 71.98 0.381 3.92 4 11.9 1.0
252 1 4 -3 36.069 72.138 0.382 3.9 4 14.6 1.5
253 6 2 -2 36.12 72.239 0.383 3.89 4 85.4 52.2
254 3 2 4 36.155 72.309 0.383 3.89 4 17.6 2.2
255 5 2 -6 36.29 72.579 0.384 3.86 4 61.3 26.7
256 6 2 -4 36.308 72.616 0.384 3.86 4 95.3 64.3
257 4 3 -5 36.342 72.684 0.385 3.85 4 67.6 32.4
258 2 4 1 36.365 72.73 0.385 3.84 4 53.3 20.1
259 2 2 5 36.402 72.804 0.385 3.84 4 23.8 4.0
260 5 1 -7 36.409 72.817 0.385 3.83 4 21.9 3.4
261 5 3 -2 36.468 72.936 0.386 3.82 4 48.8 16.7
262 2 4 -3 36.49 72.98 0.386 3.82 4 11.7 1.0
263 6 1 -6 36.536 73.073 0.386 3.81 4 23.2 3.8
264 5 3 -3 36.546 73.093 0.387 3.81 4 8.8 0.5
265 3 2 -7 36.671 73.343 0.388 3.78 4 12.3 1.1
266 3 0 5 36.721 73.442 0.388 3.77 2 82.2 23.4
267 0 4 3 36.736 73.472 0.388 3.77 4 8.4 0.5
268 2 2 -7 36.777 73.554 0.389 3.76 4 7.6 0.4
269 0 1 7 36.938 73.877 0.39 3.73 4 47.6 15.6
270 4 2 3 37.025 74.051 0.391 3.72 4 86.9 51.5
271 3 4 -1 37.064 74.128 0.391 3.71 4 5.8 0.2
272 3 4 -2 37.111 74.222 0.392 3.7 4 66.7 30.3
273 4 0 4 37.156 74.311 0.392 3.69 2 81.2 22.4
274 5 3 -1 37.225 74.451 0.393 3.68 4 102.8 71.5
275 7 0 -3 37.233 74.465 0.393 3.68 2 36.5 4.5
276 6 2 -1 37.281 74.561 0.393 3.67 4 68.0 31.2
277 3 0 -8 37.328 74.655 0.394 3.66 2 80.5 21.8
278 2 3 4 37.34 74.68 0.394 3.66 4 49.2 16.3
279 7 0 -4 37.341 74.682 0.394 3.66 2 8.2 0.2
280 2 0 6 37.399 74.797 0.394 3.65 2 63.3 13.4
281 5 3 -4 37.458 74.916 0.395 3.64 4 37.5 9.4
282 3 3 3 37.526 75.052 0.395 3.62 4 28.8 5.5
283 4 2 -7 37.646 75.291 0.396 3.6 4 11.5 0.9
284 2 3 -6 37.65 75.299 0.397 3.6 4 45.6 13.8
285 6 2 -5 37.652 75.305 0.397 3.6 4 86.4 49.5
286 6 0 1 37.702 75.403 0.397 3.59 2 37.2 4.6
287 1 2 6 37.759 75.519 0.397 3.58 4 36.7 8.9
288 3 1 5 37.816 75.633 0.398 3.57 4 7.9 0.4
289 2 0 -8 37.832 75.663 0.398 3.57 2 59.3 11.6
290 3 4 0 37.848 75.696 0.398 3.57 4 65.0 27.8
291 4 0 -8 37.899 75.798 0.399 3.56 2 37.3 4.6
292 3 3 -6 37.943 75.887 0.399 3.55 4 37.6 9.2
293 7 0 -2 37.953 75.907 0.399 3.55 2 7.9 0.2
294 1 2 -7 37.96 75.92 0.399 3.55 4 14.7 1.4
295 3 4 -3 37.987 75.973 0.4 3.55 4 31.6 6.5
296 4 1 4 38.247 76.493 0.402 3.5 4 6.7 0.3
297 1 3 5 38.259 76.518 0.402 3.5 4 92.2 54.7
298 7 0 -5 38.277 76.554 0.402 3.5 2 6.9 0.2
299 7 1 -3 38.323 76.646 0.403 3.49 4 13.4 1.2
300 2 4 2 38.411 76.822 0.403 3.48 4 97.6 60.9
301 3 1 -8 38.417 76.834 0.403 3.48 4 12.7 1.0
302 1 3 -6 38.428 76.856 0.403 3.48 4 5.9 0.2
303 7 1 -4 38.43 76.861 0.403 3.47 4 14.9 1.4
304 6 0 -7 38.441 76.882 0.404 3.47 2 49.7 7.9
305 1 4 3 38.471 76.942 0.404 3.47 4 8.8 0.5
306 2 1 6 38.487 76.974 0.404 3.47 4 3.6 0.1
307 1 4 -4 38.579 77.157 0.405 3.45 4 40.8 10.6
308 2 4 -4 38.595 77.19 0.405 3.45 4 20.6 2.7
309 5 0 3 38.69 77.379 0.406 3.44 2 8.5 0.2
310 6 1 1 38.787 77.575 0.407 3.42 4 2.8 0.0
311 5 3 0 38.8 77.601 0.407 3.42 4 49.6 15.5
312 4 3 2 38.812 77.623 0.407 3.42 4 81.4 41.7
313 2 1 -8 38.916 77.833 0.408 3.4 4 22.8 3.2
314 4 1 -8 38.983 77.966 0.408 3.39 4 10.3 0.7
315 5 2 2 38.987 77.973 0.408 3.39 4 30.5 5.8
316 7 1 -2 39.037 78.074 0.409 3.38 4 37.9 8.9
317 1 0 7 39.169 78.337 0.41 3.37 2 26.6 2.2
318 5 3 -5 39.183 78.365 0.41 3.36 4 17.9 2.0
319 6 2 0 39.249 78.498 0.411 3.35 4 41.3 10.5
320 4 3 -6 39.301 78.602 0.411 3.35 4 12.0 0.9
321 7 1 -5 39.358 78.715 0.412 3.34 4 4.2 0.1
322 1 0 -8 39.398 78.795 0.412 3.33 2 20.7 1.3
323 3 4 1 39.445 78.89 0.412 3.33 4 18.6 2.1
324 7 0 -1 39.489 78.977 0.413 3.32 2 13.2 0.5
325 6 1 -7 39.521 79.041 0.413 3.32 4 84.6 43.6
326 5 0 -8 39.53 79.06 0.413 3.32 2 13.9 0.6
327 0 4 4 39.624 79.248 0.414 3.3 4 0.2 0.0
328 5 2 -7 39.673 79.346 0.414 3.3 4 10.6 0.7
329 3 4 -4 39.674 79.347 0.414 3.3 4 55.2 18.5
330 5 1 3 39.767 79.534 0.415 3.28 4 8.1 0.4
331 6 2 -6 39.798 79.595 0.415 3.28 4 22.1 3.0
332 7 0 -6 40.021 80.042 0.417 3.25 2 15.6 0.7
333 4 4 -2 40.053 80.105 0.418 3.25 4 18.8 2.1
334 0 2 7 40.189 80.378 0.419 3.23 4 79.5 37.5
335 1 1 7 40.243 80.485 0.419 3.22 4 18.8 2.1
336 0 3 6 40.259 80.517 0.419 3.22 4 14.4 1.2
337 4 4 -1 40.398 80.797 0.421 3.21 4 82.3 39.9
338 1 1 -8 40.47 80.94 0.421 3.2 4 23.9 3.4
339 4 4 -3 40.519 81.039 0.422 3.19 4 34.1 6.8
340 7 1 -1 40.56 81.121 0.422 3.19 4 0.5 0.0
341 5 1 -8 40.602 81.203 0.422 3.18 4 3.8 0.1
342 3 2 5 41.046 82.092 0.426 3.13 4 45.0 11.7
343 7 1 -6 41.09 82.179 0.427 3.13 4 32.0 5.9
344 5 3 1 41.167 82.334 0.427 3.12 4 41.5 9.9
345 6 3 -3 41.218 82.436 0.428 3.11 4 6.5 0.2
346 2 4 3 41.233 82.467 0.428 3.11 4 61.0 21.3
347 6 0 2 41.287 82.574 0.428 3.11 2 28.3 2.3
348 4 2 4 41.467 82.934 0.43 3.09 4 38.5 8.4
349 2 4 -5 41.475 82.949 0.43 3.09 4 23.4 3.1
350 6 3 -2 41.531 83.063 0.43 3.08 4 34.7 6.8
351 7 2 -3 41.542 83.084 0.43 3.08 4 58.7 19.6
352 4 4 0 41.552 83.104 0.431 3.08 4 34.5 6.7
353 3 3 4 41.565 83.13 0.431 3.08 4 7.2 0.3
354 3 2 -8 41.634 83.268 0.431 3.07 4 28.8 4.7
355 7 2 -4 41.647 83.295 0.431 3.07 4 19.8 2.2
356 5 3 -6 41.694 83.389 0.432 3.07 4 11.9 0.8
357 2 2 6 41.703 83.406 0.432 3.07 4 28.8 4.7
358 1 4 4 41.711 83.423 0.432 3.07 4 14.0 1.1
359 6 3 -4 41.712 83.424 0.432 3.07 4 44.8 11.3
360 4 4 -4 41.793 83.586 0.433 3.06 4 31.5 5.6
361 2 3 5 41.803 83.605 0.433 3.06 4 84.5 40.2
362 7 0 0 41.816 83.631 0.433 3.06 2 7.7 0.2
363 3 4 2 41.833 83.666 0.433 3.05 4 2.5 0.0
364 1 4 -5 41.847 83.693 0.433 3.05 4 1.1 0.0
365 0 0 8 41.994 83.988 0.434 3.04 2 25.9 1.9
366 6 2 1 41.998 83.995 0.434 3.04 4 35.6 7.1
367 3 3 -7 42.062 84.123 0.435 3.03 4 50.3 14.1
368 2 2 -8 42.124 84.249 0.435 3.03 4 22.1 2.7
369 3 4 -5 42.149 84.298 0.436 3.02 4 30.8 5.3
370 2 3 -7 42.164 84.327 0.436 3.02 4 40.9 9.3
371 4 2 -8 42.19 84.379 0.436 3.02 4 34.5 6.6
372 6 0 -8 42.19 84.38 0.436 3.02 2 85.3 20.2
373 7 2 -2 42.243 84.486 0.436 3.02 4 22.4 2.8
374 6 1 2 42.349 84.698 0.437 3.01 4 2.6 0.0
375 3 0 6 42.398 84.795 0.438 3.0 2 5.2 0.1
376 4 0 5 42.4 84.799 0.438 3.0 2 7.3 0.1
377 4 3 3 42.403 84.806 0.438 3.0 4 17.2 1.6
378 7 0 -7 42.552 85.104 0.439 2.99 2 13.3 0.5
379 7 2 -5 42.558 85.116 0.439 2.99 4 26.5 3.9
380 6 3 -1 42.65 85.299 0.44 2.98 4 45.2 11.2
381 6 2 -7 42.719 85.438 0.44 2.98 4 28.3 4.4
382 7 1 0 42.876 85.752 0.442 2.96 4 77.5 32.8
383 5 2 3 42.962 85.923 0.442 2.96 4 9.8 0.5
384 4 3 -7 43.003 86.006 0.443 2.95 4 58.7 18.7
385 6 3 -5 43.01 86.02 0.443 2.95 4 20.1 2.2
386 0 1 8 43.054 86.108 0.443 2.95 4 67.7 24.8
387 3 0 -9 43.073 86.146 0.443 2.95 2 27.7 2.1
388 1 3 6 43.113 86.227 0.444 2.95 4 7.2 0.3
389 0 5 1 43.145 86.289 0.444 2.94 4 11.8 0.7
390 4 0 -9 43.24 86.479 0.445 2.94 2 20.7 1.2
391 6 1 -8 43.249 86.499 0.445 2.94 4 30.0 4.9
392 0 4 5 43.261 86.522 0.445 2.93 4 24.5 3.2
393 1 5 0 43.264 86.528 0.445 2.93 4 3.6 0.1
394 1 5 -1 43.279 86.558 0.445 2.93 4 2.3 0.0
395 1 3 -7 43.308 86.617 0.445 2.93 4 1.2 0.0
396 1 2 7 43.431 86.862 0.446 2.92 4 24.0 3.1
397 3 1 6 43.456 86.912 0.446 2.92 4 54.0 15.7
398 4 1 5 43.458 86.916 0.446 2.92 4 37.3 7.5
399 2 0 7 43.468 86.936 0.447 2.92 2 46.3 5.8
400 5 0 4 43.474 86.948 0.447 2.92 2 6.6 0.1
401 4 4 1 43.504 87.007 0.447 2.92 4 6.9 0.3
402 7 1 -7 43.61 87.221 0.448 2.91 4 90.2 43.5
403 1 2 -8 43.656 87.311 0.448 2.91 4 49.5 13.1
404 8 0 -4 43.685 87.371 0.448 2.9 2 27.7 2.0
405 7 2 -1 43.745 87.49 0.449 2.9 4 23.7 3.0
406 5 2 -8 43.786 87.571 0.449 2.9 4 64.4 22.1
407 4 4 -5 43.863 87.726 0.45 2.89 4 2.6 0.0
408 2 0 -9 43.947 87.894 0.45 2.89 2 49.3 6.4
409 8 0 -3 43.967 87.934 0.451 2.89 2 102.0 27.6
410 5 4 -2 43.984 87.967 0.451 2.89 4 66.1 23.2
411 1 5 1 44.051 88.103 0.451 2.88 4 8.2 0.4
412 5 4 -3 44.058 88.117 0.451 2.88 4 8.5 0.4
413 1 5 -2 44.096 88.192 0.452 2.88 4 13.3 0.9
414 3 1 -9 44.13 88.26 0.452 2.88 4 34.4 6.2
415 8 0 -5 44.206 88.413 0.453 2.87 2 63.9 10.8
416 7 2 -6 44.269 88.538 0.453 2.87 4 46.4 11.4
417 4 1 -9 44.296 88.593 0.453 2.87 4 87.5 40.4
418 5 3 2 44.309 88.619 0.453 2.87 4 48.2 12.2
419 0 5 2 44.348 88.696 0.454 2.86 4 15.9 1.3
420 5 0 -9 44.447 88.894 0.455 2.86 2 24.5 1.6
421 2 5 -1 44.453 88.907 0.455 2.86 4 50.2 13.2
422 2 1 7 44.524 89.049 0.455 2.85 4 14.5 1.1
423 5 1 4 44.53 89.061 0.455 2.85 4 28.1 4.1
424 6 3 0 44.566 89.133 0.456 2.85 4 5.3 0.1
425 5 4 -1 44.71 89.421 0.457 2.84 4 36.2 6.9
426 8 1 -4 44.742 89.483 0.457 2.84 4 21.2 2.3
427 2 4 4 44.821 89.642 0.458 2.84 4 33.6 5.9
428 2 5 0 44.824 89.649 0.458 2.84 4 20.0 2.1
429 2 5 -2 44.884 89.768 0.458 2.83 4 10.6 0.6
430 7 0 1 44.923 89.847 0.458 2.83 2 70.4 12.9
431 5 4 -4 44.935 89.87 0.458 2.83 4 17.3 1.6
432 5 3 -7 44.982 89.965 0.459 2.83 4 22.0 2.5
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 0 1 4.797 9.595 9.21037 92.2 7.0 7.1 5.6
2 1 0 0 5.466 10.931 8.0871 21.5 1.6 1.7 5.6
3 1 0 -1 5.544 11.088 7.97319 109.0 8.3 8.4 5.6
4 1 0 -2 8.834 17.667 5.01591 192.4 14.6 14.8 5.6
5 0 1 1 9.174 18.348 4.83126 24.8 1.9 1.9 5.6
6 1 1 0 9.545 19.09 4.64513 80.0 6.1 6.1 5.6
7 0 0 2 9.629 19.258 4.60518 14.1 1.1 1.1 5.6
8 2 0 0 10.982 21.963 4.04355 129.0 9.8 9.9 5.6
9 2 0 -2 11.141 22.281 3.98659 89.5 6.8 6.8 5.6
10 1 1 1 11.715 23.43 3.79372 51.1 3.9 3.9 5.6
11 0 1 2 12.44 24.88 3.57582 32.4 2.5 2.5 5.6
12 2 1 -1 12.688 25.376 3.50699 555.3 42.2 42.4 5.6
13 1 0 2 12.989 25.977 3.42717 22.8 1.7 1.7 5.6
14 2 1 0 13.527 27.055 3.29304 50.5 3.8 3.8 5.6
15 2 0 1 13.782 27.563 3.23346 177.3 13.5 13.5 5.6
16 0 0 3 14.531 29.061 3.07012 15.1 1.1 1.1 5.6
17 1 1 2 15.222 30.445 2.93365 24.9 1.9 1.9 5.6
18 3 0 -2 15.255 30.51 2.92758 199.4 15.1 15.2 5.6
19 1 1 -3 15.369 30.739 2.90626 1316.1 100.0 100.0 5.6
20 0 2 0 15.753 31.505 2.8373 566.9 43.1 43.0 5.6
21 2 1 1 15.913 31.826 2.80939 133.0 10.1 10.1 5.6
22 0 1 3 16.575 33.149 2.70026 437.8 33.3 33.2 5.6
23 3 0 0 16.603 33.207 2.6957 174.0 13.2 13.2 5.6
24 1 2 0 16.721 33.441 2.67731 301.9 22.9 22.9 5.7
25 3 0 -3 16.848 33.695 2.65773 40.0 3.0 3.0 5.7
26 3 1 -1 17.142 34.284 2.61345 651.1 49.5 49.3 5.7
27 3 1 -2 17.221 34.443 2.60174 21.9 1.7 1.7 5.7
28 2 0 2 17.577 35.154 2.55067 258.8 19.7 19.6 5.7
29 1 0 -4 17.859 35.718 2.51174 65.9 5.0 5.0 5.7
30 1 2 -2 18.174 36.348 2.46958 84.0 6.4 6.4 5.7
31 0 2 2 18.595 37.19 2.41563 151.9 11.5 11.5 5.7
32 3 1 -3 18.665 37.331 2.40683 293.8 22.3 22.2 5.7
33 2 2 -1 18.768 37.537 2.39407 43.3 3.3 3.3 5.7
34 1 1 3 19.429 38.858 2.31569 37.7 2.9 2.8 5.7
35 2 2 -2 19.464 38.929 2.31162 146.2 11.1 11.0 5.7
36 3 0 -4 19.621 39.242 2.29389 149.4 11.4 11.3 5.7
37 4 0 -2 20.203 40.406 2.23044 23.8 1.8 1.8 5.7
38 1 2 2 20.637 41.274 2.18552 28.0 2.1 2.1 5.7
39 4 0 -1 20.724 41.447 2.1768 321.5 24.4 24.2 5.7
40 4 0 -3 20.904 41.807 2.15887 46.9 3.6 3.5 5.7
41 2 2 1 21.173 42.346 2.13266 278.8 21.2 21.0 5.7
42 2 2 -3 21.35 42.7 2.11579 280.3 21.3 21.1 5.7
43 0 2 3 21.695 43.39 2.08373 161.6 12.3 12.1 5.7
44 2 0 3 21.943 43.885 2.06134 111.9 8.5 8.4 5.7
45 3 2 -1 22.15 44.299 2.04305 16.0 1.2 1.2 5.7
46 3 2 -2 22.214 44.427 2.03744 29.3 2.2 2.2 5.7
47 2 0 -5 22.286 44.572 2.03118 15.3 1.2 1.1 5.7
48 4 0 0 22.395 44.79 2.02178 33.6 2.6 2.5 5.7
49 4 0 -4 22.733 45.466 1.9933 16.8 1.3 1.3 5.7
50 3 0 -5 23.225 46.45 1.95331 29.2 2.2 2.2 5.7
51 2 1 3 23.426 46.853 1.93747 42.1 3.2 3.1 5.7
52 2 2 2 23.959 47.918 1.89686 193.3 14.7 14.4 5.7
53 1 2 3 24.038 48.075 1.89101 32.0 2.4 2.4 5.7
54 1 1 4 24.07 48.139 1.88865 70.2 5.3 5.2 5.7
55 2 2 -4 24.2 48.4 1.8791 194.6 14.8 14.5 5.7
56 3 1 2 24.232 48.464 1.87677 88.9 6.8 6.6 5.7
57 1 3 0 24.722 49.444 1.84182 38.8 2.9 2.9 5.7
58 3 2 1 25.293 50.587 1.80286 20.0 1.5 1.5 5.8
59 0 2 4 25.52 51.04 1.78791 32.4 2.5 2.4 5.8
60 5 0 -2 25.655 51.31 1.77912 67.0 5.1 5.0 5.8
61 1 3 1 25.742 51.484 1.77354 14.6 1.1 1.1 5.8
62 4 2 -2 26.058 52.116 1.75349 46.0 3.5 3.4 5.8
63 2 3 -1 26.252 52.504 1.74145 77.0 5.9 5.7 5.8
64 4 2 -1 26.488 52.975 1.72707 34.0 2.6 2.5 5.8
65 2 0 4 26.713 53.425 1.71358 25.3 1.9 1.9 5.8
66 4 1 -5 26.834 53.669 1.70638 90.7 6.9 6.7 5.8
67 5 1 -2 26.984 53.967 1.69764 28.5 2.2 2.1 5.8
68 2 0 -6 27.083 54.167 1.69186 62.2 4.7 4.6 5.8
69 3 0 -6 27.432 54.865 1.67197 37.9 2.9 2.8 5.8
70 1 3 -3 27.81 55.619 1.65107 188.2 14.3 13.9 5.8
71 5 1 -1 27.872 55.745 1.64765 184.7 14.0 13.7 5.8
72 1 0 -6 28.004 56.009 1.6405 190.3 14.5 14.1 5.8
73 1 2 4 28.084 56.168 1.63624 65.0 4.9 4.8 5.8
74 5 1 -4 28.143 56.286 1.63308 61.3 4.7 4.5 5.8
75 4 2 -4 28.182 56.363 1.63103 216.8 16.5 16.0 5.8
76 3 2 2 28.229 56.458 1.6285 88.3 6.7 6.5 5.8
77 2 1 -6 28.365 56.73 1.62134 27.5 2.1 2.0 5.8
78 0 3 3 28.575 57.15 1.61042 75.8 5.8 5.6 5.8
79 3 3 -1 28.948 57.897 1.59142 150.4 11.4 11.1 5.8
80 4 0 -6 29.021 58.042 1.58778 145.7 11.1 10.7 5.8
81 1 1 5 29.066 58.132 1.58553 115.6 8.8 8.5 5.8
82 4 1 2 29.696 59.393 1.55486 136.6 10.4 10.1 5.8
83 3 3 -3 29.989 59.978 1.54108 48.8 3.7 3.6 5.8
84 5 1 -5 30.116 60.232 1.53517 18.0 1.4 1.3 5.8
85 4 2 -5 30.595 61.191 1.51341 22.9 1.7 1.7 5.8
86 2 3 -4 30.668 61.336 1.51017 13.9 1.1 1.0 5.8
87 5 2 -1 31.553 63.107 1.47198 23.9 1.8 1.7 5.9
88 2 2 4 31.677 63.355 1.46682 23.2 1.8 1.7 5.9
89 6 0 -4 31.751 63.501 1.46379 60.4 4.6 4.4 5.9
90 5 2 -4 31.804 63.609 1.46157 123.9 9.4 9.1 5.9
91 2 2 -6 32.011 64.022 1.45313 74.3 5.6 5.4 5.9
92 3 2 -6 32.326 64.653 1.44047 74.0 5.6 5.4 5.9
93 4 0 3 32.513 65.027 1.43309 22.2 1.7 1.6 5.9
94 0 4 0 32.886 65.772 1.41865 279.4 21.2 20.4 5.9
95 6 1 -4 32.919 65.837 1.41739 17.3 1.3 1.3 5.9
96 2 1 5 33.017 66.034 1.41365 76.4 5.8 5.6 5.9
97 4 2 2 33.255 66.509 1.40469 168.5 12.8 12.3 5.9
98 3 1 -7 33.298 66.596 1.40307 27.2 2.1 2.0 5.9
99 2 1 -7 33.409 66.818 1.39896 18.8 1.4 1.4 5.9
100 4 2 -6 33.775 67.549 1.38558 19.9 1.5 1.4 5.9
101 6 1 -1 33.933 67.867 1.37986 22.0 1.7 1.6 5.9
102 1 3 4 34.065 68.13 1.37518 32.4 2.5 2.4 5.9
103 3 3 2 34.195 68.39 1.37057 16.8 1.3 1.2 5.9
104 6 1 -5 34.32 68.64 1.3662 36.2 2.7 2.6 5.9
105 5 0 2 34.58 69.159 1.3572 21.5 1.6 1.6 5.9
106 0 2 6 34.787 69.574 1.35013 39.5 3.0 2.9 5.9
107 5 1 2 35.701 71.402 1.31997 13.9 1.1 1.0 5.9
108 6 2 -2 36.12 72.239 1.30672 52.2 4.0 3.8 5.9
109 6 2 -4 36.308 72.616 1.30087 91.0 6.9 6.5 6.0
110 4 3 -5 36.342 72.684 1.29982 52.5 4.0 3.8 6.0
111 5 3 -2 36.468 72.936 1.29595 17.7 1.3 1.3 6.0
112 3 0 5 36.721 73.442 1.28827 23.9 1.8 1.7 6.0
113 0 1 7 36.938 73.877 1.28176 15.6 1.2 1.1 6.0
114 4 2 3 37.025 74.051 1.27918 51.5 3.9 3.7 6.0
115 3 4 -2 37.111 74.222 1.27666 30.3 2.3 2.2 6.0
116 4 0 4 37.156 74.311 1.27534 22.4 1.7 1.6 6.0
117 5 3 -1 37.225 74.451 1.27329 76.0 5.8 5.4 6.0
118 6 2 -1 37.281 74.561 1.27168 31.2 2.4 2.2 6.0
119 3 0 -8 37.328 74.655 1.27031 38.4 2.9 2.7 6.0
120 2 0 6 37.399 74.797 1.26825 13.4 1.0 1.0 6.0
121 6 2 -5 37.652 75.305 1.26095 63.2 4.8 4.5 6.0
122 3 4 0 37.848 75.696 1.25542 39.3 3.0 2.8 6.0
123 1 3 5 38.259 76.518 1.24396 54.9 4.2 3.9 6.0
124 2 4 2 38.411 76.822 1.23979 63.6 4.8 4.5 6.0
125 1 4 -4 38.579 77.157 1.23524 13.3 1.0 0.9 6.0
126 4 3 2 38.812 77.623 1.22898 57.2 4.3 4.1 6.0
127 6 1 -7 39.521 79.041 1.21045 44.2 3.4 3.1 6.0
128 3 4 -4 39.674 79.347 1.20655 18.5 1.4 1.3 6.0
129 0 2 7 40.189 80.378 1.19366 37.5 2.9 2.7 6.0
130 4 4 -1 40.398 80.797 1.18853 39.9 3.0 2.8 6.1
131 2 4 3 41.233 82.467 1.16864 21.3 1.6 1.5 6.1
132 7 2 -3 41.542 83.084 1.16152 33.1 2.5 2.3 6.1
133 6 3 -4 41.712 83.424 1.15764 17.1 1.3 1.2 6.1
134 2 3 5 41.803 83.605 1.15559 45.9 3.5 3.2 6.1
135 3 3 -7 42.062 84.123 1.14979 14.1 1.1 1.0 6.1
136 6 0 -8 42.19 84.38 1.14694 36.1 2.7 2.5 6.1
137 7 1 0 42.876 85.752 1.13208 32.8 2.5 2.3 6.1
138 4 3 -7 43.003 86.006 1.12938 20.9 1.6 1.5 6.1
139 0 1 8 43.054 86.108 1.12831 26.9 2.0 1.9 6.1
140 4 1 5 43.458 86.916 1.11988 32.1 2.4 2.2 6.1
141 7 1 -7 43.61 87.221 1.11675 43.5 3.3 3.0 6.2
142 1 2 -8 43.656 87.311 1.11583 15.2 1.2 1.1 6.2
143 5 2 -8 43.786 87.571 1.11318 22.1 1.7 1.5 6.2
144 8 0 -3 43.967 87.934 1.10953 57.3 4.4 4.0 6.2
145 4 1 -9 44.296 88.593 1.10297 64.0 4.9 4.4 6.2
146 2 5 -1 44.453 88.907 1.09988 14.8 1.1 1.0 6.2
147 7 0 1 44.923 89.847 1.0908 14.5 1.1 1.0 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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