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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HAINITE
1
Na(2)Ca(4)[Ca(0.7)Mn(0.2)Fe(0.1)]Ti[Si(2)O(7)](2)(O,OH)(2)F(2)
Triclinic P 1 Z = 1
R =0.066 NR =1770
13 .10 .1995
Ref.Str.:
Rastsvetaeva R.K., Pushcharovskii D.Yu., Atensio D. (1995)
* Kristallogr., 40, 4, 626-630
Reserv:
D.T.N.
Giannetite.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.584 alpha = 89.85
b = 7.267 beta = 101.22
c = 5.708 gamma = 101.03
Unit cell volume (cub. angs.) = 382.5
Molar volume ( cub.cm/mol.) = 230.39
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 1.89 Ti = 1.00
2 0.2775 0.3307 0.2618 1.09 Si = 1.00
3 0.2723 0.7726 0.2569 1.5 Si = 1.00
4 0.7097 0.6368 0.7534 1.52 Si = 1.00
5 0.716 0.1959 0.7564 1.16 Si = 1.00
6 0.3607 0.083 0.7913 1.12 Ca = 1.00
7 0.6328 0.4063 0.2318 1.72 Ca = 1.00
8 0.3627 0.5869 0.7839 1.39 Ca = 1.00
9 0.6333 0.9024 0.2273 1.61 Ca = 0.7 , Mn = 0.2 , Fe = 0.1
10 0.9969 0.7462 0.5085 2.0 Ca = 1.00
11 0.981 0.2344 0.4985 1.5 Na = 1.00
12 0.998 0.499 0.0 1.5 Na = 1.00
13 0.878 0.956 0.264 1.0 O = 1.00
14 0.381 0.852 0.076 2.1 O = 1.00
15 0.111 0.022 0.753 2.1 O = 1.00
16 0.61 0.656 0.943 1.3 O = 1.00
17 0.615 0.131 0.935 2.7 O = 1.00
18 0.64 0.665 0.481 3.4 O = 1.00
19 0.872 0.763 0.825 1.1 O = 1.00
20 0.341 0.835 0.528 3.0 O = 1.00
21 0.11 0.815 0.165 1.9 O = 1.00
22 0.744 0.426 0.783 2.9 O = 1.00
23 0.38 0.318 0.067 3.4 O = 1.00
24 0.239 0.54 0.228 3.6 O = 1.00
25 0.354 0.321 0.537 2.3 O = 1.00
26 0.881 0.158 0.838 1.9 O = 1.00
27 0.119 0.201 0.198 2.9 O = 1.00
28 0.66 0.135 0.475 3.1 O = 1.00
29 0.879 0.464 0.304 3.0 F = 1.00
30 0.109 0.515 0.701 1.7 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.2775 0.3307 0.2618
3 3 0.2723 0.7726 0.2569
4 4 0.7097 0.6368 0.7534
5 5 0.716 0.1959 0.7564
6 6 0.3607 0.083 0.7913
7 7 0.6328 0.4063 0.2318
8 8 0.3627 0.5869 0.7839
9 9 0.6333 0.9024 0.2273
10 10 0.9969 0.7462 0.5085
11 11 0.981 0.2344 0.4985
12 12 0.998 0.499 0.0
13 13 0.878 0.956 0.264
14 14 0.381 0.852 0.076
15 15 0.111 0.022 0.753
16 16 0.61 0.656 0.943
17 17 0.615 0.131 0.935
18 18 0.64 0.665 0.481
19 19 0.872 0.763 0.825
20 20 0.341 0.835 0.528
21 21 0.11 0.815 0.165
22 22 0.744 0.426 0.783
23 23 0.38 0.318 0.067
24 24 0.239 0.54 0.228
25 25 0.354 0.321 0.537
26 26 0.881 0.158 0.838
27 27 0.119 0.201 0.198
28 28 0.66 0.135 0.475
29 29 0.879 0.464 0.304
30 30 0.109 0.515 0.701
X-ray density (g/cm cub.) = 3.06
MU (1/cm) = 342.701 Mass attenuation coefficient (cm**2/g) = 111.983
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ti 2.568 6
2.0689 13
1.9138 15
2.0476 19
1.9888 21
1.8866 26
1.8924 27
2 Si 2.1 4
1.6341 23
1.6347 24
1.6066 25
1.6022 27
3 Si 2.1 4
1.634 14
1.5895 20
1.6293 21
1.6615 24
4 Si 2.1 4
1.5994 16
1.5976 18
1.6237 19
1.6288 22
5 Si 2.1 4
1.551 17
1.6447 22
1.6349 26
1.6252 28
6 Ca 2.88 6
2.3419 14
2.3157 15
2.3733 17
2.3056 20
2.2819 23
2.2573 25
7 Ca 2.88 6
2.4604 16
2.5839 17
2.3428 18
2.385 23
2.4338 28
2.2709 29
8 Ca 2.88 6
2.5091 14
2.3246 16
2.3321 20
2.5417 23
2.3735 25
2.3402 30
9 Ca ,Mn ,Fe 2.88 6
2.2705 13
2.3616 14
2.3687 16
2.3574 17
2.2518 18
2.1512 28
10 Ca 2.88 6
2.3676 13
2.3964 15
2.3686 19
2.4257 21
2.3361 29
2.3251 30
11 Na 2.808 6
2.3654 13
2.4627 15
2.3443 26
2.3996 27
2.2725 29
2.3457 30
12 Na 2.808 8
2.5581 19
2.4469 21
2.4653 22
2.3846 24
2.6074 26
2.7839 27
2.2435 29
2.1717 30
13 O 3.264 7
3.1905 15
3.2325 18
2.8602 19
2.7707 21
2.8391 26
2.7218 27
3.0879 28
14 O 3.264 6
3.045 16
2.9567 17
2.6803 20
3.0763 20
2.7059 21
2.6484 24
15 O 3.264 7
3.1905 13
2.7696 19
3.2576 20
2.7889 21
3.2536 23
2.7062 26
2.8378 27
16 O 3.264 6
3.045 14
3.0278 18
2.7071 18
2.6966 19
2.5618 22
3.1495 23
17 O 3.264 6
2.9567 14
2.5041 22
3.0535 23
2.6836 26
3.0275 28
2.7416 28
18 O 3.264 6
3.2325 13
2.7071 16
3.0278 16
2.6475 19
2.6381 22
3.2542 29
19 O 3.264 7
2.8602 13
2.7696 15
2.6966 16
2.6475 18
2.6577 21
2.5098 22
2.8559 26
20 O 3.264 6
3.0763 14
2.6803 14
3.2576 15
2.7035 21
2.6551 24
3.1923 30
21 O 3.264 8
2.7707 13
2.7059 14
2.7889 15
2.6577 19
2.7035 20
2.5338 24
2.7956 27
3.2479 29
22 O 3.264 8
2.5618 16
2.5041 17
2.6381 18
2.5098 19
2.5358 26
2.6511 28
2.9941 29
3.2345 29
23 O 3.264 7
3.2536 15
3.1495 16
3.0535 17
2.5688 24
2.7427 25
2.9871 25
2.7294 27
24 O 3.264 8
2.6484 14
2.6551 20
2.5338 21
2.5688 23
2.5997 25
2.5025 27
3.1772 30
3.0153 30
25 O 3.264 5
2.9871 23
2.7427 23
2.5997 24
2.6718 27
3.2413 30
26 O 3.264 8
2.8391 13
2.7062 15
2.6836 17
2.8559 19
2.5358 22
2.7257 27
2.6393 28
3.2561 30
27 O 3.264 7
2.7218 13
2.8378 15
2.7956 21
2.7294 23
2.5025 24
2.6718 25
2.7257 26
28 O 3.264 6
3.0879 13
2.7416 17
3.0275 17
2.6511 22
2.6393 26
3.1526 29
29 F 3.228 3
2.9941 22
3.1526 28
2.807 30
30 F 3.228 4
3.1923 20
3.0153 24
3.1772 24
2.807 29
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 0 0 5.566 11.133 0.054 209.59 2 6.7 12.7
2 0 1 0 7.209 14.417 0.07 124.06 2 8.8 13.2
3 -1 1 0 8.215 16.431 0.08 95.0 2 10.7 14.9
4 0 0 1 9.199 18.397 0.089 75.33 2 22.3 51.4
5 -1 0 1 9.776 19.552 0.095 66.45 2 6.6 4.0
6 1 1 0 9.956 19.912 0.097 63.99 2 22.0 42.5
7 2 0 0 11.186 22.373 0.108 50.25 2 12.5 10.7
8 0 -1 1 11.516 23.033 0.112 47.29 2 11.3 8.2
9 1 0 1 11.696 23.392 0.113 45.78 2 13.4 11.3
10 -1 1 1 11.723 23.447 0.114 45.56 2 5.8 2.1
11 0 1 1 11.932 23.863 0.116 43.91 2 24.9 37.3
12 -2 1 0 12.096 24.192 0.117 42.67 2 24.5 35.1
13 -1 -1 1 12.638 25.277 0.122 38.91 2 11.7 7.2
14 1 -1 1 13.008 26.016 0.126 36.62 2 29.7 44.3
15 -2 0 1 13.042 26.085 0.126 36.42 2 47.5 112.4
16 -2 1 1 14.014 28.029 0.135 31.27 2 18.0 13.8
17 2 1 0 14.519 29.039 0.14 29.0 2 30.2 36.2
18 -1 2 0 14.527 29.055 0.14 28.96 2 6.3 1.6
19 0 2 0 14.535 29.069 0.14 28.93 2 5.5 1.2
20 1 1 1 14.539 29.078 0.14 28.91 2 22.7 20.4
21 -2 -1 1 15.862 31.723 0.153 23.99 2 29.2 28.0
22 2 0 1 15.944 31.887 0.154 23.72 2 25.6 21.2
23 2 -1 1 16.46 32.921 0.158 22.14 2 11.2 3.8
24 -2 2 0 16.606 33.212 0.16 21.72 2 19.1 10.8
25 1 2 0 16.626 33.251 0.16 21.66 2 14.7 6.4
26 3 0 0 16.918 33.836 0.163 20.86 2 125.7 450.8
27 -1 2 1 16.974 33.948 0.163 20.71 2 52.4 77.7
28 0 -2 1 17.018 34.035 0.164 20.59 2 49.4 68.7
29 -3 1 0 17.076 34.151 0.164 20.44 2 16.3 7.5
30 0 2 1 17.6 35.199 0.169 19.14 2 135.4 479.7
31 1 -2 1 17.629 35.259 0.169 19.07 2 140.2 512.2
32 -3 0 1 17.641 35.282 0.169 19.04 2 76.2 151.1
33 -3 1 1 17.935 35.869 0.172 18.36 2 30.3 23.1
34 -2 2 1 18.229 36.458 0.175 17.72 2 4.6 0.5
35 -1 -2 1 18.282 36.564 0.175 17.61 2 7.7 1.4
36 -1 0 2 18.374 36.748 0.176 17.41 2 62.5 93.0
37 2 1 1 18.636 37.272 0.179 16.88 2 11.6 3.1
38 0 0 2 18.646 37.292 0.179 16.86 2 56.9 74.6
39 -1 1 2 19.666 39.333 0.188 14.99 2 10.1 2.1
40 3 1 0 19.79 39.58 0.189 14.78 2 5.4 0.6
41 0 -1 2 19.83 39.661 0.19 14.71 2 14.6 4.3
42 -2 0 2 19.852 39.705 0.19 14.68 2 112.3 253.2
43 1 2 1 19.952 39.903 0.191 14.51 2 48.7 47.1
44 2 -2 1 19.967 39.935 0.191 14.49 2 47.4 44.4
45 -1 -1 2 19.999 39.997 0.191 14.44 2 7.5 1.1
46 -3 2 0 20.202 40.404 0.193 14.12 2 18.7 6.8
47 2 2 0 20.229 40.459 0.193 14.07 2 18.4 6.5
48 -3 -1 1 20.299 40.598 0.194 13.97 2 21.1 8.5
49 0 1 2 20.343 40.686 0.194 13.9 2 26.2 13.1
50 1 0 2 20.609 41.218 0.197 13.5 2 19.7 7.1
51 -2 1 2 20.66 41.321 0.197 13.43 2 17.4 5.6
52 3 0 1 21.018 42.035 0.2 12.92 2 67.0 79.4
53 3 -1 1 21.026 42.052 0.201 12.91 2 18.6 6.1
54 -3 2 1 21.074 42.148 0.201 12.84 2 69.7 85.2
55 -2 -2 1 21.132 42.263 0.202 12.77 2 68.3 81.4
56 1 -1 2 21.306 42.612 0.203 12.53 2 8.5 1.2
57 -1 3 0 21.717 43.434 0.207 12.01 2 14.2 3.3
58 -2 -1 2 21.779 43.558 0.207 11.93 2 5.7 0.5
59 0 3 0 22.114 44.228 0.21 11.53 2 12.9 2.6
60 1 1 2 22.566 45.132 0.215 11.01 2 7.5 0.8
61 -4 1 0 22.573 45.146 0.215 11.01 2 18.9 5.4
62 -4 1 1 22.772 45.544 0.216 10.79 2 3.3 0.2
63 -3 0 2 22.795 45.59 0.217 10.76 2 42.6 26.7
64 4 0 0 22.83 45.66 0.217 10.73 2 48.9 35.1
65 -2 3 0 22.861 45.723 0.217 10.69 2 8.4 1.0
66 -4 0 1 22.912 45.824 0.218 10.64 2 10.2 1.5
67 -3 1 2 23.148 46.296 0.22 10.4 2 13.9 2.7
68 -1 2 2 23.472 46.944 0.223 10.07 2 59.8 49.3
69 0 -2 2 23.534 47.068 0.223 10.02 2 59.3 48.2
70 3 1 1 23.58 47.161 0.224 9.97 2 18.0 4.4
71 2 2 1 23.599 47.198 0.224 9.95 2 28.1 10.7
72 3 -2 1 23.603 47.206 0.224 9.95 2 24.4 8.1
73 -1 3 1 23.63 47.26 0.224 9.92 2 4.2 0.2
74 0 -3 1 23.807 47.614 0.226 9.76 2 3.8 0.2
75 1 -3 1 23.911 47.821 0.227 9.66 2 4.9 0.3
76 2 0 2 23.919 47.838 0.227 9.65 2 58.4 45.1
77 -2 2 2 23.977 47.954 0.227 9.6 2 55.8 40.9
78 1 3 0 23.992 47.984 0.227 9.59 2 15.9 3.3
79 -1 -2 2 24.048 48.095 0.228 9.54 2 60.2 47.3
80 2 -1 2 24.18 48.36 0.229 9.42 2 12.2 1.9
81 -2 3 1 24.24 48.479 0.229 9.37 2 3.2 0.1
82 0 2 2 24.424 48.848 0.231 9.21 2 9.6 1.2
83 0 3 1 24.471 48.943 0.232 9.17 2 7.7 0.7
84 1 -2 2 24.475 48.949 0.232 9.16 2 6.4 0.5
85 -4 2 0 24.778 49.555 0.234 8.91 2 31.5 12.1
86 3 2 0 24.81 49.621 0.235 8.88 2 28.9 10.1
87 -3 -1 2 24.893 49.786 0.235 8.82 2 18.9 4.3
88 -4 2 1 25.071 50.142 0.237 8.67 2 11.7 1.6
89 -3 -2 1 25.13 50.261 0.237 8.63 2 13.5 2.1
90 -1 -3 1 25.136 50.272 0.237 8.62 2 5.2 0.3
91 -3 3 0 25.384 50.769 0.24 8.43 2 7.8 0.7
92 2 -3 1 25.433 50.865 0.24 8.4 2 10.7 1.3
93 -4 -1 1 25.461 50.923 0.24 8.37 2 20.1 4.6
94 4 1 0 25.492 50.984 0.241 8.35 2 4.1 0.2
95 -3 2 2 25.875 51.749 0.244 8.07 2 51.0 28.7
96 -2 -2 2 25.95 51.9 0.245 8.02 2 50.2 27.7
97 2 1 2 26.023 52.046 0.245 7.97 2 2.5 0.1
98 -3 3 1 26.224 52.448 0.247 7.83 2 13.0 1.8
99 4 -1 1 26.277 52.553 0.247 7.79 2 6.3 0.4
100 4 0 1 26.61 53.22 0.25 7.57 2 17.3 3.1
101 1 3 1 26.661 53.322 0.251 7.54 2 19.3 3.9
102 1 2 2 26.716 53.433 0.251 7.5 2 36.5 13.6
103 2 -2 2 26.755 53.51 0.252 7.48 2 29.5 8.9
104 -4 1 2 26.807 53.615 0.252 7.45 2 17.1 3.0
105 -4 0 2 26.83 53.659 0.252 7.43 2 53.1 28.7
106 2 3 0 27.117 54.234 0.255 7.25 2 8.4 0.7
107 -2 -3 1 27.745 55.49 0.26 6.89 2 11.2 1.2
108 -1 0 3 28.042 56.084 0.263 6.72 2 20.2 3.7
109 3 -1 2 28.134 56.268 0.264 6.67 2 5.4 0.3
110 4 -2 1 28.168 56.336 0.264 6.65 2 118.9 128.5
111 3 2 1 28.173 56.346 0.264 6.65 2 120.1 131.2
112 3 -3 1 28.207 56.413 0.264 6.63 2 25.6 5.9
113 -5 1 1 28.222 56.445 0.264 6.63 2 6.7 0.4
114 3 0 2 28.227 56.454 0.264 6.62 2 2.9 0.1
115 -5 1 0 28.474 56.947 0.267 6.49 2 10.8 1.0
116 0 0 3 28.658 57.316 0.268 6.4 2 39.6 13.7
117 -5 0 1 28.666 57.333 0.268 6.4 2 80.8 57.1
118 -2 0 3 28.715 57.431 0.269 6.37 2 13.7 1.6
119 -4 2 2 28.969 57.937 0.271 6.25 2 10.7 1.0
120 5 0 0 29.012 58.025 0.271 6.22 2 15.1 1.9
121 0 -3 2 29.016 58.032 0.271 6.22 2 9.7 0.8
122 -4 3 0 29.026 58.053 0.271 6.22 2 26.3 5.9
123 -4 -1 2 29.032 58.064 0.271 6.22 2 22.9 4.5
124 -1 3 2 29.033 58.065 0.271 6.21 2 16.2 2.2
125 -3 -2 2 29.047 58.094 0.271 6.21 2 9.3 0.7
126 -1 1 3 29.088 58.176 0.272 6.19 2 12.4 1.3
127 4 1 1 29.116 58.232 0.272 6.17 2 4.8 0.2
128 -1 -1 3 29.143 58.286 0.272 6.16 2 10.0 0.8
129 -2 3 2 29.151 58.302 0.272 6.16 2 4.5 0.2
130 -4 3 1 29.386 58.773 0.274 6.05 2 2.9 0.1
131 0 -1 3 29.429 58.857 0.275 6.03 2 7.2 0.4
132 -2 1 3 29.43 58.861 0.275 6.03 2 7.9 0.5
133 -1 4 0 29.495 58.989 0.275 6.0 2 156.6 201.0
134 1 -3 2 29.518 59.036 0.275 5.99 2 10.2 0.8
135 -1 -3 2 29.777 59.553 0.278 5.87 2 9.7 0.8
136 -5 2 1 29.909 59.819 0.279 5.81 2 48.2 18.4
137 -4 -2 1 29.971 59.941 0.279 5.79 2 46.7 17.2
138 2 3 1 29.994 59.988 0.279 5.78 2 29.9 7.0
139 0 1 3 30.005 60.009 0.28 5.77 2 12.3 1.2
140 -5 2 0 30.056 60.113 0.28 5.75 2 12.4 1.2
141 4 2 0 30.093 60.187 0.28 5.73 2 10.2 0.8
142 -2 4 0 30.111 60.223 0.28 5.73 2 6.9 0.4
143 -2 -1 3 30.114 60.229 0.28 5.72 2 7.0 0.4
144 0 4 0 30.128 60.256 0.281 5.72 2 1.3 0.0
145 2 2 2 30.137 60.275 0.281 5.71 2 61.3 29.4
146 3 -2 2 30.165 60.33 0.281 5.7 2 63.8 31.8
147 0 3 2 30.171 60.342 0.281 5.7 2 23.4 4.3
148 3 1 2 30.43 60.861 0.283 5.59 2 18.6 2.6
149 1 0 3 30.513 61.027 0.284 5.56 2 12.2 1.1
150 -3 3 2 30.517 61.034 0.284 5.56 2 7.8 0.5
151 -3 0 3 30.624 61.248 0.285 5.51 2 47.9 17.3
152 1 -1 3 30.949 61.899 0.287 5.39 2 15.4 1.8
153 -3 1 3 31.006 62.012 0.288 5.37 2 4.0 0.1
154 -1 4 1 31.151 62.302 0.289 5.31 2 10.2 0.8
155 -5 -1 1 31.184 62.368 0.289 5.3 2 10.3 0.8
156 1 -4 1 31.198 62.396 0.29 5.29 2 8.1 0.5
157 3 3 0 31.243 62.486 0.29 5.28 2 25.9 4.8
158 2 -3 2 31.244 62.488 0.29 5.28 2 38.1 10.5
159 -2 4 1 31.355 62.709 0.291 5.23 2 17.9 2.3
160 -5 1 2 31.376 62.752 0.291 5.23 2 4.9 0.2
161 0 -4 1 31.417 62.835 0.291 5.21 2 19.0 2.6
162 -3 -3 1 31.426 62.851 0.291 5.21 2 14.4 1.5
163 5 1 0 31.606 63.211 0.293 5.14 2 18.8 2.5
164 -5 0 2 31.7 63.4 0.294 5.11 2 63.7 28.4
165 -2 -3 2 31.744 63.487 0.294 5.09 2 21.8 3.3
166 -3 4 0 31.935 63.869 0.296 5.03 2 8.6 0.5
167 1 4 0 31.966 63.933 0.296 5.02 2 7.9 0.4
168 4 -3 1 32.024 64.048 0.296 5.0 2 20.9 3.0
169 5 -1 1 32.08 64.16 0.297 4.98 2 15.0 1.5
170 1 1 3 32.114 64.229 0.297 4.97 2 15.7 1.7
171 -1 2 3 32.15 64.3 0.297 4.96 2 92.3 57.7
172 0 4 1 32.156 64.311 0.298 4.95 2 9.7 0.6
173 -2 2 3 32.173 64.346 0.298 4.95 2 72.9 36.0
174 2 -4 1 32.186 64.372 0.298 4.94 2 9.7 0.6
175 0 -2 3 32.223 64.447 0.298 4.93 2 87.3 51.4
176 -1 -2 3 32.254 64.508 0.298 4.92 2 73.7 36.5
177 -3 -1 3 32.273 64.547 0.298 4.91 2 6.1 0.2
178 1 3 2 32.486 64.972 0.3 4.85 2 27.6 5.1
179 5 0 1 32.674 65.347 0.302 4.79 2 45.1 13.3
180 -3 4 1 32.754 65.508 0.302 4.76 2 20.1 2.6
181 -1 -4 1 32.831 65.662 0.303 4.74 2 24.8 4.0
182 4 -1 2 32.944 65.888 0.304 4.7 2 13.8 1.2
183 -4 3 2 33.039 66.077 0.305 4.67 2 27.4 4.8
184 -5 2 2 33.056 66.111 0.305 4.67 2 62.9 25.3
185 -4 -2 2 33.136 66.273 0.306 4.64 2 65.2 27.0
186 0 2 3 33.313 66.626 0.307 4.59 2 6.8 0.3
187 4 0 2 33.325 66.649 0.307 4.59 2 47.4 14.1
188 1 -2 3 33.377 66.754 0.308 4.57 2 12.4 1.0
189 -3 2 3 33.38 66.76 0.308 4.57 2 16.2 1.7
190 -2 -2 3 33.467 66.935 0.308 4.55 2 14.4 1.3
191 5 -2 1 33.472 66.944 0.308 4.55 2 11.3 0.8
192 4 2 1 33.484 66.968 0.308 4.54 2 12.4 1.0
193 2 0 3 33.487 66.974 0.308 4.54 2 31.4 6.1
194 -5 3 1 33.531 67.061 0.309 4.53 2 16.9 1.8
195 -5 3 0 33.579 67.158 0.309 4.52 2 23.9 3.5
196 2 -1 3 33.608 67.216 0.309 4.51 2 4.0 0.1
197 -4 0 3 33.644 67.288 0.31 4.5 2 16.0 1.6
198 -4 1 3 33.714 67.429 0.31 4.48 2 18.0 2.0
199 -5 -1 2 33.998 67.996 0.313 4.4 2 2.8 0.0
200 3 -3 2 34.089 68.178 0.313 4.38 2 13.9 1.1
201 -6 1 1 34.22 68.44 0.314 4.34 2 4.4 0.1
202 3 3 1 34.283 68.567 0.315 4.32 2 10.4 0.6
203 1 4 1 34.311 68.622 0.315 4.32 2 16.6 1.6
204 3 -4 1 34.325 68.65 0.315 4.31 2 9.3 0.5
205 3 2 2 34.503 69.005 0.317 4.27 2 65.9 25.4
206 4 -2 2 34.521 69.041 0.317 4.26 2 66.7 25.9
207 -3 -3 2 34.805 69.609 0.319 4.19 2 19.9 2.3
208 -6 1 0 34.821 69.642 0.319 4.19 2 14.1 1.1
209 -4 4 0 34.861 69.722 0.32 4.18 2 84.4 40.7
210 2 4 0 34.906 69.813 0.32 4.17 2 79.7 36.2
211 -6 0 1 34.908 69.817 0.32 4.17 2 64.6 23.8
212 5 1 1 35.202 70.404 0.322 4.1 2 8.4 0.4
213 -4 4 1 35.275 70.55 0.323 4.08 2 46.6 12.1
214 2 1 3 35.303 70.606 0.323 4.07 2 5.7 0.2
215 -2 -4 1 35.364 70.729 0.324 4.06 2 46.6 12.0
216 -6 2 1 35.458 70.917 0.324 4.04 2 64.2 22.7
217 -4 -1 3 35.506 71.012 0.325 4.03 2 24.6 3.3
218 -5 -2 1 35.522 71.044 0.325 4.02 2 64.4 22.8
219 6 0 0 35.591 71.183 0.325 4.01 2 26.3 3.8
220 1 2 3 35.603 71.205 0.325 4.01 2 40.1 8.8
221 4 1 2 35.632 71.264 0.326 4.0 2 20.9 2.4
222 2 -2 3 35.657 71.314 0.326 3.99 2 39.3 8.4
223 -4 2 3 35.711 71.422 0.326 3.98 2 56.5 17.4
224 -2 4 2 35.724 71.448 0.326 3.98 2 43.9 10.5
225 -3 -2 3 35.803 71.607 0.327 3.96 2 56.7 17.4
226 0 -4 2 35.827 71.653 0.327 3.96 2 37.0 7.4
227 2 3 2 35.86 71.719 0.327 3.95 2 6.5 0.2
228 -1 4 2 35.904 71.808 0.328 3.94 2 28.1 4.3
229 -6 2 0 35.963 71.926 0.328 3.93 2 40.6 8.9
230 1 -4 2 35.991 71.983 0.329 3.92 2 28.6 4.4
231 5 2 0 36.004 72.009 0.329 3.92 2 40.7 8.9
232 -4 -3 1 36.018 72.035 0.329 3.92 2 24.2 3.1
233 4 3 0 36.216 72.432 0.33 3.87 2 8.5 0.4
234 -5 3 2 36.598 73.197 0.333 3.8 2 9.9 0.5
235 -3 4 2 36.676 73.352 0.334 3.78 2 63.3 20.7
236 -2 3 3 36.698 73.396 0.334 3.78 2 3.8 0.1
237 -6 1 2 36.725 73.45 0.334 3.77 2 4.6 0.1
238 5 -3 1 36.738 73.476 0.334 3.77 2 9.3 0.4
239 -1 -4 2 36.793 73.585 0.335 3.76 2 62.6 20.1
240 0 -3 3 36.794 73.588 0.335 3.76 2 5.3 0.1
241 -1 3 3 36.959 73.918 0.336 3.73 2 7.0 0.2
242 -1 -3 3 37.105 74.211 0.337 3.7 2 11.9 0.7
243 0 4 2 37.209 74.418 0.338 3.68 2 30.1 4.6
244 2 -4 2 37.281 74.561 0.339 3.67 2 37.2 6.9
245 3 -1 3 37.291 74.583 0.339 3.67 2 13.4 0.9
246 -6 0 2 37.308 74.616 0.339 3.66 2 24.5 3.0
247 -5 1 3 37.443 74.886 0.34 3.64 2 22.6 2.6
248 3 0 3 37.457 74.914 0.34 3.64 2 74.9 27.9
249 -6 -1 1 37.477 74.954 0.34 3.63 2 9.0 0.4
250 4 -4 1 37.526 75.051 0.34 3.62 2 54.5 14.7
251 2 4 1 37.527 75.054 0.341 3.62 2 48.1 11.5
252 -3 3 3 37.557 75.115 0.341 3.62 2 13.7 0.9
253 1 -3 3 37.603 75.206 0.341 3.61 2 15.9 1.2
254 -5 0 3 37.657 75.314 0.342 3.6 2 53.6 14.2
255 4 -3 2 37.942 75.884 0.344 3.55 2 2.8 0.0
256 -6 2 2 38.014 76.029 0.344 3.54 2 62.3 18.8
257 -1 5 0 38.02 76.04 0.344 3.54 2 2.5 0.0
258 -5 -2 2 38.098 76.196 0.345 3.53 2 63.8 19.6
259 6 1 0 38.227 76.454 0.346 3.51 2 12.1 0.7
260 -2 5 0 38.288 76.577 0.346 3.5 2 8.2 0.3
261 0 3 3 38.333 76.666 0.347 3.49 2 22.9 2.5
262 6 -1 1 38.467 76.934 0.348 3.47 2 10.4 0.5
263 5 -1 2 38.525 77.05 0.348 3.46 2 9.1 0.4
264 -2 -3 3 38.527 77.054 0.348 3.46 2 12.2 0.7
265 -6 3 1 38.545 77.089 0.348 3.46 2 10.2 0.5
266 -4 4 2 38.728 77.457 0.35 3.43 2 9.0 0.4
267 -5 4 0 38.789 77.578 0.35 3.42 2 17.5 1.4
268 -5 4 1 38.828 77.656 0.35 3.41 2 4.1 0.1
269 3 4 0 38.848 77.695 0.351 3.41 2 22.3 2.3
270 -4 -3 2 38.856 77.713 0.351 3.41 2 9.8 0.4
271 -2 -4 2 38.857 77.715 0.351 3.41 2 13.2 0.8
272 0 5 0 38.86 77.719 0.351 3.41 2 15.8 1.2
273 -1 0 4 38.866 77.732 0.351 3.41 2 21.5 2.2
274 -3 -4 1 38.929 77.858 0.351 3.4 2 7.7 0.3
275 2 2 3 38.939 77.878 0.351 3.4 2 39.8 7.4
276 -6 3 0 38.95 77.901 0.351 3.4 2 4.4 0.1
277 3 -2 3 38.985 77.969 0.352 3.39 2 40.3 7.5
278 -2 0 4 39.083 78.166 0.352 3.38 2 63.0 18.4
279 -5 2 3 39.086 78.173 0.352 3.38 2 21.1 2.1
280 5 0 2 39.159 78.319 0.353 3.37 2 54.7 13.8
281 -4 -2 3 39.183 78.366 0.353 3.36 2 20.7 2.0
282 6 0 1 39.294 78.588 0.354 3.35 2 44.2 8.9
283 4 3 1 39.436 78.872 0.355 3.33 2 7.2 0.2
284 1 -5 1 39.457 78.914 0.355 3.33 2 4.6 0.1
285 3 1 3 39.474 78.947 0.355 3.32 2 10.0 0.5
286 6 -2 1 39.485 78.971 0.355 3.32 2 15.4 1.1
287 -2 5 1 39.49 78.981 0.355 3.32 2 12.7 0.7
288 5 2 1 39.504 79.008 0.356 3.32 2 17.4 1.4
289 2 -3 3 39.509 79.017 0.356 3.32 2 8.7 0.3
290 -4 3 3 39.513 79.026 0.356 3.32 2 6.6 0.2
291 -1 5 1 39.583 79.165 0.356 3.31 2 19.1 1.6
292 1 4 2 39.6 79.2 0.356 3.31 2 39.6 7.1
293 3 -4 2 39.656 79.311 0.357 3.3 2 42.3 8.1
294 -3 5 0 39.657 79.315 0.357 3.3 2 23.8 2.6
295 -5 -1 3 39.718 79.436 0.357 3.29 2 10.6 0.5
296 4 2 2 39.725 79.451 0.357 3.29 2 12.6 0.7
297 -1 -1 4 39.726 79.452 0.357 3.29 2 11.7 0.6
298 5 -2 2 39.735 79.47 0.357 3.29 2 11.2 0.6
299 -6 -1 2 39.736 79.471 0.357 3.29 2 1.6 0.0
300 0 0 4 39.75 79.5 0.357 3.29 2 92.8 38.7
301 -2 1 4 39.786 79.572 0.358 3.28 2 15.0 1.0
302 -1 1 4 39.847 79.693 0.358 3.27 2 16.7 1.2
303 0 -5 1 39.931 79.862 0.359 3.26 2 15.5 1.1
304 2 -5 1 40.079 80.158 0.36 3.24 2 23.1 2.4
305 3 3 2 40.204 80.408 0.361 3.23 2 8.4 0.3
306 -2 -1 4 40.217 80.434 0.361 3.23 2 6.6 0.2
307 0 -1 4 40.33 80.661 0.362 3.21 2 2.6 0.0
308 -3 0 4 40.395 80.79 0.362 3.21 2 77.1 26.1
309 -3 5 1 40.493 80.986 0.363 3.2 2 13.8 0.8
310 0 5 1 40.768 81.537 0.365 3.16 2 19.5 1.6
311 1 3 3 40.785 81.57 0.365 3.16 2 2.7 0.0
312 1 5 0 40.787 81.574 0.365 3.16 2 29.8 3.8
313 -3 1 4 40.819 81.638 0.365 3.16 2 8.3 0.3
314 -7 1 1 40.844 81.687 0.366 3.16 2 6.8 0.2
315 0 1 4 40.999 81.998 0.367 3.14 2 4.2 0.1
316 -3 -3 3 41.025 82.05 0.367 3.14 2 2.7 0.0
317 -6 3 2 41.12 82.24 0.368 3.13 2 17.3 1.3
318 -5 -3 1 41.47 82.939 0.37 3.09 2 3.1 0.0
319 -1 -5 1 41.493 82.986 0.37 3.09 2 28.2 3.3
320 5 1 2 41.616 83.232 0.371 3.07 2 3.3 0.0
321 1 0 4 41.717 83.433 0.372 3.06 2 13.1 0.7
322 5 -4 1 41.721 83.442 0.372 3.06 2 7.2 0.2
323 3 4 1 41.736 83.473 0.372 3.06 2 7.0 0.2
324 -7 2 1 41.741 83.482 0.372 3.06 2 39.4 6.5
325 -7 1 0 41.764 83.528 0.372 3.06 2 4.1 0.1
326 -7 0 1 41.766 83.532 0.372 3.06 2 7.4 0.2
327 3 -5 1 41.787 83.573 0.372 3.06 2 8.3 0.3
328 -3 -1 4 41.794 83.588 0.373 3.06 2 3.5 0.1
329 -6 -2 1 41.809 83.617 0.373 3.06 2 39.6 6.6
330 -5 4 2 41.836 83.671 0.373 3.05 2 37.5 5.9
331 4 -1 3 41.935 83.869 0.374 3.04 2 21.0 1.8
332 6 1 1 41.939 83.878 0.374 3.04 2 7.6 0.2
333 -3 -4 2 41.977 83.954 0.374 3.04 2 34.6 5.0
334 5 3 0 42.014 84.027 0.374 3.04 2 4.7 0.1
335 1 -1 4 42.019 84.037 0.374 3.04 2 2.9 0.0
336 -4 5 0 42.1 84.201 0.375 3.03 2 6.9 0.2
337 -6 1 3 42.13 84.261 0.375 3.03 2 2.3 0.0
338 -2 2 4 42.305 84.611 0.376 3.01 2 6.1 0.2
339 6 -3 1 42.316 84.631 0.376 3.01 2 1.7 0.0
340 4 0 3 42.368 84.736 0.377 3.01 2 36.5 5.5
341 -1 -2 4 42.4 84.799 0.377 3.0 2 2.2 0.0
342 3 -3 3 42.475 84.949 0.377 3.0 2 11.4 0.5
343 -5 3 3 42.527 85.055 0.378 2.99 2 3.9 0.1
344 -4 5 1 42.574 85.149 0.378 2.99 2 30.4 3.8
345 -7 2 0 42.575 85.15 0.378 2.99 2 27.3 3.0
346 -6 0 3 42.61 85.221 0.378 2.99 2 37.2 5.6
347 6 2 0 42.622 85.243 0.379 2.98 2 23.9 2.3
348 -1 2 4 42.637 85.275 0.379 2.98 2 11.9 0.6
349 0 -2 4 42.725 85.449 0.379 2.98 2 8.7 0.3
350 5 -3 2 42.751 85.503 0.379 2.97 2 6.7 0.2
351 7 0 0 42.766 85.531 0.38 2.97 2 14.7 0.9
352 -4 0 4 42.781 85.562 0.38 2.97 2 19.2 1.5
353 -2 4 3 42.832 85.664 0.38 2.97 2 24.1 2.3
354 -7 1 2 42.872 85.744 0.38 2.96 2 1.6 0.0
355 -4 1 4 42.929 85.858 0.381 2.96 2 3.7 0.1
356 0 -4 3 42.971 85.943 0.381 2.96 2 26.9 2.9
357 1 5 1 43.029 86.059 0.381 2.95 2 21.4 1.9
358 2 4 2 43.036 86.071 0.381 2.95 2 3.4 0.0
359 -3 2 4 43.055 86.111 0.382 2.95 2 18.8 1.4
360 4 -4 2 43.076 86.152 0.382 2.95 2 4.1 0.1
361 -2 -2 4 43.157 86.313 0.382 2.94 2 16.5 1.1
362 1 1 4 43.227 86.453 0.383 2.94 2 7.4 0.2
363 3 2 3 43.275 86.551 0.383 2.93 2 13.5 0.7
364 4 -2 3 43.313 86.626 0.383 2.93 2 11.7 0.5
365 -1 4 3 43.355 86.71 0.384 2.93 2 20.6 1.7
366 -6 4 1 43.368 86.736 0.384 2.93 2 58.9 13.9
367 -3 4 3 43.389 86.778 0.384 2.93 2 10.8 0.5
368 -6 2 3 43.461 86.922 0.385 2.92 2 16.9 1.1
369 1 -4 3 43.48 86.96 0.385 2.92 2 15.4 1.0
370 -4 -4 1 43.481 86.963 0.385 2.92 2 58.1 13.4
371 -1 -4 3 43.543 87.086 0.385 2.91 2 11.6 0.5
372 -5 -2 3 43.563 87.126 0.385 2.91 2 17.4 1.2
373 -2 5 2 43.627 87.254 0.386 2.91 2 10.2 0.4
374 -6 4 0 43.682 87.364 0.386 2.91 2 20.1 1.6
375 -7 0 2 43.705 87.411 0.386 2.9 2 4.5 0.1
376 4 4 0 43.753 87.507 0.387 2.9 2 21.8 1.9
377 2 5 0 43.776 87.552 0.387 2.9 2 13.9 0.8
378 1 -5 2 43.822 87.644 0.387 2.9 2 24.3 2.3
379 -7 2 2 43.846 87.692 0.387 2.89 2 32.9 4.3
380 -5 -3 2 43.866 87.733 0.387 2.89 2 10.4 0.4
381 -6 -2 2 43.934 87.868 0.388 2.89 2 30.3 3.6
382 0 -5 2 43.937 87.873 0.388 2.89 2 10.4 0.4
383 0 2 4 44.049 88.098 0.389 2.88 2 2.4 0.0
384 -1 5 2 44.069 88.138 0.389 2.88 2 24.2 2.3
385 -2 -5 1 44.124 88.249 0.389 2.88 2 18.4 1.3
386 1 -2 4 44.129 88.257 0.389 2.88 2 5.7 0.1
387 -3 5 2 44.263 88.527 0.39 2.87 2 19.7 1.5
388 2 3 3 44.286 88.571 0.39 2.87 2 9.6 0.4
389 -4 -1 4 44.44 88.881 0.391 2.86 2 2.3 0.0
390 -7 3 1 44.442 88.884 0.391 2.86 2 4.9 0.1
391 -7 -1 1 44.491 88.983 0.392 2.86 2 3.0 0.0
392 4 -5 1 44.562 89.124 0.392 2.85 2 27.1 2.9
393 -4 -3 3 44.571 89.142 0.392 2.85 2 6.9 0.2
394 4 1 3 44.607 89.214 0.393 2.85 2 3.7 0.1
395 2 0 4 44.746 89.493 0.394 2.84 2 43.0 7.2
396 2 -1 4 44.775 89.551 0.394 2.84 2 10.8 0.5
397 2 -5 2 44.785 89.571 0.394 2.84 2 1.2 0.0
398 -4 2 4 44.882 89.765 0.394 2.83 2 20.2 1.6
399 -6 -1 3 44.895 89.791 0.395 2.83 2 8.7 0.3
400 6 -1 2 44.941 89.883 0.395 2.83 2 4.6 0.1
401 0 4 3 44.956 89.913 0.395 2.83 2 7.5 0.2
402 -3 -2 4 44.991 89.981 0.395 2.83 2 21.0 1.7
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 0 0 5.566 11.133 9.22123 12.7 1.9 1.9 5.6
2 0 1 0 7.209 14.417 7.12815 13.2 2.0 2.0 5.6
3 -1 1 0 8.215 16.431 6.25951 14.9 2.2 2.3 5.6
4 0 0 1 9.199 18.397 5.59529 51.4 7.8 7.9 5.6
5 1 1 0 9.956 19.912 5.17361 42.5 6.4 6.5 5.6
6 2 0 0 11.186 22.373 4.61062 10.7 1.6 1.6 5.6
7 0 -1 1 11.516 23.033 4.48021 8.2 1.2 1.3 5.6
8 1 0 1 11.696 23.392 4.41225 13.4 2.0 2.0 5.6
9 0 1 1 11.932 23.863 4.32641 37.3 5.6 5.7 5.6
10 -2 1 0 12.096 24.192 4.2685 35.1 5.3 5.3 5.6
11 -1 -1 1 12.638 25.277 4.08812 7.2 1.1 1.1 5.6
12 1 -1 1 13.008 26.016 3.97383 44.3 6.7 6.7 5.6
13 -2 0 1 13.042 26.085 3.96358 112.4 16.9 17.1 5.6
14 -2 1 1 14.014 28.029 3.6936 13.8 2.1 2.1 5.6
15 2 1 0 14.519 29.039 3.56777 59.3 8.9 9.0 5.6
16 -2 -1 1 15.862 31.723 3.27262 28.0 4.2 4.2 5.6
17 2 0 1 15.944 31.887 3.25624 21.2 3.2 3.2 5.6
18 -2 2 0 16.606 33.212 3.12976 17.2 2.6 2.6 5.6
19 3 0 0 16.918 33.836 3.07374 450.8 68.0 68.1 5.7
20 -1 2 1 16.974 33.948 3.06385 77.7 11.7 11.7 5.7
21 0 -2 1 17.018 34.035 3.05623 68.7 10.4 10.4 5.7
22 -3 1 0 17.076 34.151 3.04619 7.5 1.1 1.1 5.7
23 0 2 1 17.6 35.199 2.95824 479.7 72.3 72.3 5.7
24 1 -2 1 17.629 35.259 2.95338 663.2 100.0 100.0 5.7
25 -3 1 1 17.935 35.869 2.90475 23.1 3.5 3.5 5.7
26 -1 0 2 18.374 36.748 2.83755 93.0 14.0 14.0 5.7
27 0 0 2 18.646 37.292 2.79764 77.7 11.7 11.7 5.7
28 -2 0 2 19.852 39.705 2.63387 257.5 38.8 38.7 5.7
29 1 2 1 19.952 39.903 2.62131 91.6 13.8 13.7 5.7
30 -3 2 0 20.202 40.404 2.59018 13.3 2.0 2.0 5.7
31 -3 -1 1 20.299 40.598 2.57832 8.5 1.3 1.3 5.7
32 0 1 2 20.343 40.686 2.57298 13.1 2.0 2.0 5.7
33 1 0 2 20.609 41.218 2.54119 7.1 1.1 1.1 5.7
34 3 0 1 21.018 42.035 2.49394 85.5 12.9 12.8 5.7
35 -3 2 1 21.074 42.148 2.48755 85.2 12.8 12.8 5.7
36 -2 -2 1 21.132 42.263 2.48108 81.4 12.3 12.2 5.7
37 -3 0 2 22.795 45.59 2.30865 26.7 4.0 4.0 5.7
38 4 0 0 22.83 45.66 2.30531 35.1 5.3 5.2 5.7
39 -1 2 2 23.472 46.944 2.24567 49.3 7.4 7.3 5.7
40 0 -2 2 23.534 47.068 2.24011 48.2 7.3 7.2 5.7
41 3 -2 1 23.603 47.206 2.23393 23.2 3.5 3.5 5.7
42 2 0 2 23.919 47.838 2.20612 45.1 6.8 6.7 5.7
43 -2 2 2 23.977 47.954 2.20109 44.2 6.7 6.6 5.7
44 -1 -2 2 24.048 48.095 2.19503 47.3 7.1 7.0 5.7
45 -4 2 0 24.778 49.555 2.13425 12.1 1.8 1.8 5.7
46 3 2 0 24.81 49.621 2.13161 10.1 1.5 1.5 5.7
47 -3 2 2 25.875 51.749 2.04962 28.7 4.3 4.3 5.8
48 -2 -2 2 25.95 51.9 2.04406 27.7 4.2 4.1 5.8
49 1 2 2 26.716 53.433 1.98957 13.6 2.1 2.0 5.8
50 2 -2 2 26.755 53.51 1.98692 8.9 1.3 1.3 5.8
51 -4 0 2 26.83 53.659 1.98179 31.7 4.8 4.7 5.8
52 3 2 1 28.173 56.346 1.89449 259.7 39.2 38.2 5.8
53 -5 0 1 28.666 57.333 1.86459 70.8 10.7 10.4 5.8
54 -1 3 2 29.033 58.065 1.84307 15.3 2.3 2.2 5.8
55 -1 4 0 29.495 58.989 1.81674 201.8 30.4 29.6 5.8
56 -5 2 1 29.909 59.819 1.79384 18.4 2.8 2.7 5.8
57 -4 -2 1 29.971 59.941 1.79051 24.3 3.7 3.6 5.8
58 3 -2 2 30.165 60.33 1.78006 65.4 9.9 9.6 5.8
59 -3 0 3 30.624 61.248 1.75591 17.3 2.6 2.5 5.8
60 2 -3 2 31.244 62.488 1.72448 15.3 2.3 2.2 5.8
61 -5 0 2 31.7 63.4 1.70219 28.4 4.3 4.1 5.9
62 -1 2 3 32.15 64.3 1.68087 94.3 14.2 13.7 5.9
63 0 -2 3 32.223 64.447 1.67746 51.4 7.8 7.5 5.9
64 -1 -2 3 32.254 64.508 1.67604 36.8 5.5 5.4 5.9
65 5 0 1 32.674 65.347 1.65686 13.3 2.0 1.9 5.9
66 -5 2 2 33.056 66.111 1.63984 30.1 4.5 4.4 5.9
67 -4 -2 2 33.136 66.273 1.63631 27.0 4.1 3.9 5.9
68 4 0 2 33.325 66.649 1.62812 14.1 2.1 2.0 5.9
69 2 0 3 33.487 66.974 1.62114 9.1 1.4 1.3 5.9
70 4 -2 2 34.521 69.041 1.57836 51.3 7.7 7.4 5.9
71 -4 4 0 34.861 69.722 1.56488 40.7 6.1 5.9 5.9
72 2 4 0 34.906 69.813 1.56309 59.9 9.0 8.6 5.9
73 -4 4 1 35.275 70.55 1.54885 12.3 1.9 1.8 5.9
74 -2 -4 1 35.364 70.729 1.54544 12.0 1.8 1.7 5.9
75 -6 2 1 35.458 70.917 1.54188 22.7 3.4 3.3 5.9
76 -5 -2 1 35.522 71.044 1.53949 26.1 3.9 3.8 5.9
77 1 2 3 35.603 71.205 1.53645 12.6 1.9 1.8 5.9
78 2 -2 3 35.657 71.314 1.53441 10.8 1.6 1.6 5.9
79 -4 2 3 35.711 71.422 1.5324 27.8 4.2 4.0 5.9
80 -3 -2 3 35.803 71.607 1.52898 24.8 3.7 3.6 5.9
81 -6 2 0 35.963 71.926 1.52309 13.2 2.0 1.9 5.9
82 5 2 0 36.004 72.009 1.52158 12.0 1.8 1.7 5.9
83 -3 4 2 36.676 73.352 1.49753 20.8 3.1 3.0 6.0
84 -1 -4 2 36.793 73.585 1.49346 20.3 3.1 2.9 6.0
85 2 -4 2 37.281 74.561 1.47669 10.9 1.6 1.6 6.0
86 3 0 3 37.457 74.914 1.47075 30.5 4.6 4.3 6.0
87 4 -4 1 37.526 75.051 1.46845 26.2 3.9 3.7 6.0
88 -5 0 3 37.657 75.314 1.46409 14.2 2.1 2.0 6.0
89 -6 2 2 38.014 76.029 1.45237 18.8 2.8 2.7 6.0
90 -5 -2 2 38.098 76.196 1.44968 19.6 3.0 2.8 6.0
91 3 4 0 38.848 77.695 1.426 6.9 1.0 1.0 6.0
92 2 2 3 38.939 77.878 1.42318 7.5 1.1 1.1 6.0
93 3 -2 3 38.985 77.969 1.42178 7.5 1.1 1.1 6.0
94 -2 0 4 39.083 78.166 1.41878 20.4 3.1 2.9 6.0
95 5 0 2 39.159 78.319 1.41645 15.8 2.4 2.2 6.0
96 6 0 1 39.294 78.588 1.41237 8.9 1.3 1.3 6.0
97 1 4 2 39.6 79.2 1.40324 8.7 1.3 1.2 6.0
98 3 -4 2 39.656 79.311 1.4016 10.6 1.6 1.5 6.0
99 0 0 4 39.75 79.5 1.39882 38.7 5.8 5.5 6.0
100 -3 0 4 40.395 80.79 1.38022 26.1 3.9 3.7 6.1
101 -7 2 1 41.741 83.482 1.34351 6.8 1.0 1.0 6.1
102 -6 -2 1 41.809 83.617 1.34174 12.4 1.9 1.7 6.1
103 -4 5 1 42.574 85.149 1.32209 6.8 1.0 0.9 6.1
104 -6 0 3 42.61 85.221 1.32119 8.6 1.3 1.2 6.1
105 -6 4 1 43.368 86.736 1.30258 15.6 2.3 2.2 6.1
106 -4 -4 1 43.481 86.963 1.29986 15.5 2.3 2.2 6.1
107 2 0 4 44.746 89.493 1.27059 7.6 1.2 1.1 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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