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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CLINOHUMITE
7, t-clinohumite, at 293'K, s-clinohumite
Mg(8.8)Fe(0.006))Ti(0.214)[SiO(4)](4)[(OH)(0.516),F(0.484)]
Monoclinic P 2(1)/b Z = 2
R =0.0468 NR =2263
26 .2 .1903
Ref.Str.:
Friedrich et al. (2001)
* Amer. Mineral., 86, 981-989
Reserv:
from Kukh-i-Lal, Tadjikistan. Neutron study.
See U(iso) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.695 alpha = 90.0
b = 10.274 beta = 90.0
c = 4.7313 gamma = 100.91
Unit cell volume (cub. angs.) = 653.68
Molar volume ( cub.cm/mol.) = 196.87
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0 0.5 0.0 Mg = 1.00
2 0.2742 0.9463 0.4973 0.0 Mg = 1.00
3 0.1699 0.1401 0.0109 0.0 Mg = 1.00
4 0.3882 0.2502 0.5085 0.0 Mg = 1.00
5 0.0434 0.8764 0.4921 0.0 Mg = 0.9 , Ti = 0.1
6 0.3896 0.0664 0.073 0.0 Si = 1.00
7 0.8352 0.1769 0.0764 0.0 Si = 1.00
8 0.388 0.0643 0.7331 0.0 O = 1.00
9 0.3877 0.4195 0.2785 0.0 O = 1.00
10 0.2933 0.1122 0.2227 0.0 O = 1.00
11 0.4864 0.1586 0.2217 0.0 O = 1.00
12 0.1628 0.3229 0.2358 0.0 O = 1.00
13 0.1628 0.9686 0.7778 0.0 O = 1.00
14 0.2623 0.2797 0.7244 0.0 O = 1.00
15 0.0698 0.2274 0.7274 0.0 O = 1.00
16 0.0549 0.0458 0.2616 0.0 OH = 0.44, F = 0.54
17 0.0116 0.012 0.088 0.0 H = 0.4 , H = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0 0.5
2 2 0.2742 0.9463 0.4973
3 3 0.1699 0.1401 0.0109
4 4 0.3882 0.2502 0.5085
5 5 0.0434 0.8764 0.4921
6 6 0.3896 0.0664 0.073
7 7 0.8352 0.1769 0.0764
8 8 0.388 0.0643 0.7331
9 9 0.3877 0.4195 0.2785
10 10 0.2933 0.1122 0.2227
11 11 0.4864 0.1586 0.2217
12 12 0.1628 0.3229 0.2358
13 13 0.1628 0.9686 0.7778
14 14 0.2623 0.2797 0.7244
15 15 0.0698 0.2274 0.7274
16 16 0.0549 0.0458 0.2616
17 17 0.0116 0.012 0.088
18 1 0.5 0.5 0.0
19 2 0.7258 0.5537 0.9973
20 3 0.8302 0.3599 0.5109
21 4 0.6118 0.2498 0.0085
22 5 0.9566 0.6236 0.9921
23 6 0.6104 0.4336 0.573
24 7 0.1648 0.3231 0.5764
25 8 0.612 0.4357 0.2331
26 9 0.6123 0.0805 0.7785
27 10 0.7067 0.3878 0.7227
28 11 0.5136 0.3414 0.7217
29 12 0.8372 0.1771 0.7358
30 13 0.8372 0.5314 0.2778
31 14 0.7377 0.2203 0.2244
32 15 0.9302 0.2726 0.2274
33 16 0.9451 0.4542 0.7616
34 17 0.9884 0.488 0.588
35 2 0.2742 0.4463 0.0027
36 3 0.1699 0.6401 0.4891
37 4 0.3882 0.7502 0.9915
38 5 0.0434 0.3764 0.0079
39 6 0.3896 0.5664 0.427
40 7 0.8352 0.6769 0.4236
41 8 0.388 0.5643 0.7669
42 9 0.3877 0.9195 0.2215
43 10 0.2933 0.6122 0.2773
44 11 0.4864 0.6586 0.2783
45 12 0.1628 0.8229 0.2642
46 13 0.1628 0.4686 0.7222
47 14 0.2623 0.7797 0.7756
48 15 0.0698 0.7274 0.7726
49 16 0.0549 0.5458 0.2384
50 17 0.0116 0.512 0.412
51 2 0.7258 0.0537 0.5027
52 3 0.8302 0.8599 0.9891
53 4 0.6118 0.7498 0.4915
54 5 0.9566 0.1236 0.5079
55 6 0.6104 0.9336 0.927
56 7 0.1648 0.8231 0.9236
57 8 0.612 0.9357 0.2669
58 9 0.6123 0.5805 0.7215
59 10 0.7067 0.8878 0.7773
60 11 0.5136 0.8414 0.7783
61 12 0.8372 0.6771 0.7642
62 13 0.8372 0.0314 0.2222
63 14 0.7377 0.7203 0.2756
64 15 0.9302 0.7726 0.2726
65 16 0.9451 0.9542 0.7384
66 17 0.9884 0.988 0.912
X-ray density (g/cm cub.) = 3.19
MU (1/cm) = 160.543 Mass attenuation coefficient (cm**2/g) = 50.312
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.568 6
2.0951 8
2.1302 11
2.0743 9
2.0743 9
2.0951 8
2.1302 11
2 Mg 2.568 6
2.1046 8
2.1196 10
2.0668 13
2.0879 9
2.1022 12
2.1411 14
3 Mg 2.568 6
2.0319 10
2.1767 12
2.0652 13
2.1929 14
2.224 15
2.0603 16
4 Mg 2.568 6
2.1851 8
2.053 9
2.198 10
2.2393 11
2.0761 14
2.0573 11
5 Mg ,Ti 2.616 6
2.1938 13
2.0345 16
2.1159 12
2.1083 15
1.9984 15
2.0538 16
6 Si 2.148 4
1.6084 8
1.6422 10
1.6357 11
1.6604 9
7 Si 2.148 4
1.6117 12
1.6418 14
1.6388 15
1.6515 13
8 O 3.312 12
2.7443 10
2.8278 10
2.7579 11
2.8489 11
3.0616 13
3.0507 14
3.052 9
3.0352 11
2.7478 9
2.8407 9
3.1064 14
3.1206 11
9 O 3.312 11
3.1884 10
3.2338 11
3.0596 12
2.9211 14
3.3099 14
3.052 8
2.9213 11
2.7478 8
2.8407 8
2.5612 10
2.5698 11
10 O 3.312 11
2.8278 8
2.7443 8
3.1884 9
2.5972 11
3.058 12
2.967 13
3.009 14
2.9963 14
3.2114 16
2.5612 9
3.1714 12
11 O 3.312 10
2.8489 8
2.7579 8
3.2338 9
2.5972 10
3.0352 8
2.9213 9
2.9996 11
2.9996 11
2.5698 9
3.1206 8
12 O 3.312 12
3.0596 9
3.058 10
2.7616 14
2.8525 14
2.7424 15
2.8101 15
2.9511 16
3.1288 15
3.1714 10
2.7454 13
2.8542 13
2.9504 16
13 O 3.312 11
3.0616 8
2.967 10
3.2381 14
3.1669 15
2.9144 16
3.0363 16
2.7454 12
2.8542 12
2.5735 14
2.5633 15
2.9635 16
14 O 3.312 11
3.0507 8
3.3099 9
2.9211 9
2.9963 10
3.009 10
2.8525 12
2.7616 12
3.2381 13
2.5883 15
3.1064 8
2.5735 13
15 O 3.312 12
2.8101 12
2.7424 12
3.1669 13
2.5883 14
3.1252 16
2.8698 16
3.1288 12
3.131 15
3.131 15
3.1434 16
2.5633 13
2.9974 16
16 OH ,F 3.36 12
3.2114 10
2.9511 12
3.0363 13
2.9144 13
2.8698 15
3.1252 15
3.1434 15
2.9504 12
2.9635 13
2.9974 15
2.7754 16
2.9566 16
17 H ,H 1.68 1
1.0342 16
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 3.814 7.628 0.037 449.07 2 5.0 5.4
2 2 0 0 7.645 15.289 0.074 110.06 2 9.1 4.2
3 -1 2 0 10.207 20.415 0.099 60.77 2 61.8 108.8
4 0 2 0 10.214 20.428 0.099 60.69 2 17.4 8.6
5 3 0 0 11.51 23.021 0.112 47.34 2 19.8 8.7
6 1 0 1 11.561 23.122 0.112 46.91 4 3.3 0.5
7 -2 2 0 11.568 23.136 0.112 46.85 2 52.4 60.3
8 1 2 0 11.586 23.171 0.112 46.7 2 29.8 19.5
9 0 1 1 12.053 24.105 0.117 42.99 4 3.4 0.5
10 -1 1 1 12.357 24.713 0.12 40.8 4 18.6 13.3
11 1 1 1 12.955 25.91 0.125 36.94 4 13.6 6.4
12 2 0 1 13.366 26.731 0.129 34.58 4 48.7 76.9
13 -2 1 1 13.792 27.584 0.133 32.35 4 0.8 0.0
14 -3 2 0 13.92 27.839 0.134 31.72 2 76.4 86.7
15 2 2 0 13.944 27.888 0.135 31.6 2 93.2 128.6
16 2 1 1 14.859 29.718 0.143 27.6 4 56.0 81.1
17 -1 2 1 15.018 30.036 0.145 26.98 4 30.5 23.5
18 0 2 1 15.023 30.045 0.145 26.96 4 45.4 52.0
19 4 0 0 15.43 30.86 0.149 25.45 2 63.1 47.5
20 3 0 1 15.955 31.91 0.154 23.68 4 27.4 16.7
21 -2 2 1 15.998 31.995 0.154 23.55 4 4.6 0.5
22 1 2 1 16.011 32.021 0.154 23.51 4 27.3 16.4
23 -3 1 1 16.081 32.161 0.155 23.29 4 58.5 74.6
24 -4 2 0 16.886 33.773 0.162 20.94 2 6.9 0.5
25 3 2 0 16.915 33.83 0.163 20.87 2 16.4 2.6
26 3 1 1 17.469 34.938 0.168 19.45 4 26.5 12.7
27 -3 2 1 17.816 35.632 0.171 18.63 4 39.0 26.5
28 2 2 1 17.835 35.671 0.171 18.59 4 14.7 3.8
29 -1 3 1 18.834 37.668 0.18 16.49 4 119.2 219.2
30 -4 1 1 18.95 37.901 0.182 16.27 4 70.3 75.3
31 0 3 1 19.046 38.092 0.182 16.09 4 67.7 69.1
32 4 0 1 19.05 38.099 0.182 16.08 4 17.6 4.7
33 5 0 0 19.425 38.85 0.186 15.4 2 67.4 32.7
34 -2 3 1 19.442 38.885 0.186 15.37 4 16.8 4.1
35 1 3 1 20.056 40.113 0.192 14.35 4 88.8 105.8
36 -5 2 0 20.244 40.488 0.193 14.05 2 19.4 2.5
37 4 2 0 20.276 40.552 0.194 14.0 2 24.8 4.0
38 -4 2 1 20.278 40.556 0.194 14.0 4 12.2 1.9
39 3 2 1 20.303 40.606 0.194 13.96 4 2.4 0.1
40 -1 4 0 20.38 40.76 0.195 13.84 2 2.2 0.0
41 4 1 1 20.559 41.117 0.196 13.58 4 138.3 243.2
42 -2 4 0 20.758 41.516 0.198 13.29 2 4.5 0.1
43 0 4 0 20.772 41.544 0.198 13.27 2 15.1 1.4
44 -3 3 1 20.81 41.62 0.199 13.21 4 136.3 229.8
45 2 3 1 21.772 43.544 0.207 11.94 4 92.2 95.0
46 -3 4 0 21.874 43.749 0.208 11.81 2 66.9 24.8
47 1 4 0 21.901 43.802 0.209 11.78 2 79.6 34.9
48 0 0 2 22.216 44.432 0.211 11.41 2 12.7 0.9
49 -5 1 1 22.223 44.446 0.211 11.4 4 124.5 165.3
50 5 0 1 22.492 44.984 0.214 11.1 4 10.3 1.1
51 1 0 2 22.576 45.152 0.215 11.0 4 6.1 0.4
52 -4 3 1 22.826 45.652 0.217 10.73 4 1.3 0.0
53 0 1 2 22.852 45.705 0.217 10.7 4 75.2 56.7
54 -1 1 2 23.027 46.055 0.219 10.52 4 2.9 0.1
55 -5 2 1 23.222 46.444 0.22 10.32 4 122.1 144.1
56 4 2 1 23.251 46.501 0.221 10.29 4 118.3 134.9
57 -1 4 1 23.344 46.688 0.222 10.2 4 134.1 171.8
58 1 1 2 23.381 46.761 0.222 10.16 4 16.0 2.4
59 6 0 0 23.521 47.043 0.223 10.03 2 23.0 2.5
60 2 0 2 23.63 47.259 0.224 9.92 4 3.3 0.1
61 -4 4 0 23.645 47.289 0.224 9.91 2 40.2 7.5
62 2 4 0 23.682 47.364 0.225 9.87 2 8.3 0.3
63 -2 4 1 23.684 47.368 0.225 9.87 4 3.9 0.1
64 0 4 1 23.697 47.393 0.225 9.86 4 2.9 0.1
65 -6 2 0 23.884 47.768 0.226 9.69 2 13.1 0.8
66 -2 1 2 23.894 47.787 0.226 9.68 4 45.0 18.3
67 5 2 0 23.918 47.836 0.227 9.65 2 5.5 0.1
68 5 1 1 23.995 47.99 0.227 9.58 4 37.3 12.5
69 3 3 1 24.074 48.148 0.228 9.51 4 48.4 20.9
70 2 1 2 24.577 49.154 0.232 9.08 4 72.0 44.0
71 -1 2 2 24.681 49.363 0.233 8.99 4 12.5 1.3
72 0 2 2 24.684 49.369 0.233 8.99 4 0.2 0.0
73 -3 4 1 24.695 49.391 0.234 8.98 4 2.9 0.1
74 1 4 1 24.719 49.439 0.234 8.96 4 8.4 0.6
75 3 0 2 25.311 50.622 0.239 8.49 4 0.4 0.0
76 -2 2 2 25.34 50.68 0.239 8.47 4 8.6 0.6
77 1 2 2 25.349 50.698 0.239 8.46 4 4.9 0.2
78 -5 3 1 25.373 50.745 0.24 8.44 4 32.9 8.6
79 -3 1 2 25.397 50.794 0.24 8.42 4 52.2 21.5
80 -6 1 1 25.804 51.608 0.243 8.12 4 25.8 5.1
81 -5 4 0 25.969 51.938 0.245 8.01 2 57.9 12.6
82 3 4 0 26.015 52.031 0.245 7.97 2 33.4 4.2
83 6 0 1 26.206 52.412 0.247 7.84 4 4.0 0.1
84 -4 4 1 26.32 52.64 0.248 7.76 4 3.3 0.1
85 2 4 1 26.355 52.71 0.248 7.74 4 8.1 0.5
86 3 1 2 26.374 52.748 0.248 7.73 4 0.1 0.0
87 -6 2 1 26.541 53.083 0.25 7.62 4 3.7 0.1
88 5 2 1 26.573 53.146 0.25 7.6 4 13.9 1.4
89 -3 2 2 26.625 53.249 0.251 7.56 4 17.7 2.2
90 2 2 2 26.639 53.278 0.251 7.55 4 13.5 1.3
91 4 3 1 26.855 53.71 0.253 7.42 4 12.5 1.1
92 -1 3 2 27.376 54.752 0.257 7.1 4 45.8 13.9
93 -4 1 2 27.463 54.926 0.258 7.05 4 17.5 2.0
94 0 3 2 27.535 55.07 0.258 7.01 4 17.5 2.0
95 4 0 2 27.538 55.075 0.258 7.01 4 3.2 0.1
96 6 1 1 27.713 55.426 0.26 6.9 4 30.0 5.8
97 7 0 0 27.749 55.499 0.26 6.88 2 15.0 0.7
98 -7 2 0 27.763 55.526 0.26 6.88 2 28.6 2.6
99 6 2 0 27.799 55.598 0.261 6.86 2 10.1 0.3
100 -2 3 2 27.835 55.669 0.261 6.84 4 8.3 0.4
101 1 3 2 28.305 56.61 0.265 6.58 4 1.9 0.0
102 -1 5 1 28.353 56.706 0.265 6.56 4 61.3 23.1
103 -6 3 1 28.357 56.713 0.265 6.55 4 16.9 1.7
104 -4 2 2 28.477 56.953 0.267 6.49 4 2.4 0.0
105 -5 4 1 28.486 56.973 0.267 6.49 4 0.8 0.0
106 3 2 2 28.496 56.991 0.267 6.48 4 5.3 0.2
107 -2 5 1 28.497 56.995 0.267 6.48 4 31.6 6.0
108 3 4 1 28.53 57.06 0.267 6.46 4 4.5 0.1
109 4 1 2 28.695 57.39 0.268 6.38 4 16.5 1.6
110 -6 4 0 28.759 57.517 0.269 6.35 2 9.5 0.3
111 0 5 1 28.812 57.625 0.269 6.32 4 8.9 0.5
112 4 4 0 28.813 57.626 0.269 6.32 2 23.9 1.7
113 -3 3 2 28.892 57.784 0.27 6.28 4 5.4 0.2
114 -3 5 1 29.24 58.48 0.273 6.12 4 40.2 9.2
115 -7 1 1 29.652 59.305 0.277 5.93 4 55.0 16.8
116 2 3 2 29.655 59.31 0.277 5.93 4 12.0 0.8
117 1 5 1 29.858 59.715 0.278 5.84 4 54.0 15.9
118 -5 1 2 30.018 60.035 0.28 5.77 4 13.0 0.9
119 5 3 1 30.038 60.077 0.28 5.76 4 4.8 0.1
120 7 0 1 30.167 60.334 0.281 5.7 4 19.2 2.0
121 -7 2 1 30.18 60.36 0.281 5.7 4 37.7 7.6
122 6 2 1 30.214 60.428 0.281 5.68 4 48.9 12.7
123 5 0 2 30.235 60.471 0.281 5.67 4 50.7 13.7
124 -4 3 2 30.508 61.016 0.284 5.56 4 6.6 0.2
125 -4 5 1 30.553 61.107 0.284 5.54 4 16.2 1.4
126 -5 2 2 30.833 61.665 0.287 5.43 4 188.9 181.4
127 4 2 2 30.856 61.712 0.287 5.42 4 192.5 188.1
128 -1 4 2 30.933 61.866 0.287 5.39 4 161.0 130.9
129 -6 4 1 31.127 62.253 0.289 5.32 4 15.0 1.1
130 4 4 1 31.179 62.357 0.289 5.3 4 17.7 1.6
131 -2 4 2 31.215 62.429 0.29 5.29 4 6.7 0.2
132 0 4 2 31.225 62.45 0.29 5.28 4 21.9 2.4
133 2 5 1 31.454 62.908 0.292 5.2 4 17.5 1.5
134 5 1 2 31.473 62.947 0.292 5.19 4 14.5 1.0
135 3 3 2 31.54 63.079 0.292 5.17 4 17.7 1.5
136 -2 6 0 31.558 63.116 0.293 5.16 2 24.0 1.4
137 -1 6 0 31.566 63.132 0.293 5.16 2 8.9 0.2
138 7 1 1 31.693 63.386 0.294 5.11 4 28.0 3.8
139 -7 3 1 31.718 63.436 0.294 5.1 4 58.9 16.6
140 -8 2 0 31.877 63.753 0.295 5.05 2 22.2 1.2
141 7 2 0 31.915 63.83 0.296 5.04 2 25.5 1.5
142 -7 4 0 31.952 63.904 0.296 5.02 2 38.0 3.4
143 5 4 0 32.014 64.027 0.296 5.0 2 27.2 1.7
144 -3 4 2 32.061 64.122 0.297 4.99 4 67.3 21.1
145 1 4 2 32.081 64.163 0.297 4.98 4 93.5 40.7
146 -3 6 0 32.116 64.232 0.297 4.97 2 36.6 3.1
147 0 6 0 32.139 64.278 0.297 4.96 2 29.3 2.0
148 8 0 0 32.149 64.297 0.297 4.96 2 22.9 1.2
149 -5 5 1 32.397 64.795 0.3 4.87 4 16.5 1.2
150 -5 3 2 32.635 65.271 0.301 4.8 4 40.9 7.5
151 -6 1 2 33.004 66.009 0.304 4.68 4 0.9 0.0
152 -4 6 0 33.224 66.449 0.306 4.62 2 120.1 31.2
153 1 6 0 33.262 66.524 0.307 4.61 2 126.4 34.4
154 6 0 2 33.35 66.701 0.307 4.58 4 23.3 2.3
155 -4 4 2 33.449 66.898 0.308 4.55 4 46.7 9.3
156 2 4 2 33.479 66.958 0.308 4.54 4 10.5 0.5
157 3 5 1 33.558 67.116 0.309 4.52 4 55.9 13.2
158 6 3 1 33.581 67.163 0.309 4.51 4 109.5 50.6
159 -6 2 2 33.64 67.281 0.31 4.5 4 10.5 0.5
160 5 2 2 33.668 67.336 0.31 4.49 4 5.7 0.1
161 -8 1 1 33.765 67.529 0.311 4.46 4 3.3 0.0
162 -2 6 1 33.812 67.623 0.311 4.45 4 21.2 1.9
163 -1 6 1 33.819 67.638 0.311 4.45 4 31.5 4.1
164 4 3 2 33.913 67.825 0.312 4.42 4 38.2 6.0
165 -8 2 1 34.119 68.238 0.314 4.37 4 18.8 1.4
166 7 2 1 34.156 68.312 0.314 4.36 4 13.7 0.8
167 -7 4 1 34.192 68.384 0.314 4.35 4 0.4 0.0
168 5 4 1 34.251 68.502 0.315 4.33 4 15.6 1.0
169 -3 6 1 34.35 68.701 0.315 4.31 4 7.8 0.2
170 0 6 1 34.372 68.745 0.316 4.3 4 11.2 0.5
171 8 0 1 34.382 68.764 0.316 4.3 4 4.4 0.1
172 6 1 2 34.664 69.328 0.318 4.23 4 40.6 6.5
173 -6 5 1 34.73 69.461 0.318 4.21 4 50.0 9.9
174 1 0 3 34.823 69.646 0.319 4.19 4 2.9 0.0
175 -5 6 0 34.857 69.713 0.319 4.18 2 10.8 0.2
176 2 6 0 34.908 69.816 0.32 4.17 2 21.1 0.9
177 0 1 3 35.033 70.065 0.321 4.14 4 52.9 10.9
178 -1 1 3 35.166 70.332 0.322 4.11 4 32.2 4.0
179 -1 5 2 35.229 70.458 0.322 4.09 4 15.8 1.0
180 -6 3 2 35.232 70.465 0.322 4.09 4 13.1 0.7
181 -5 4 2 35.348 70.695 0.323 4.06 4 67.7 17.5
182 -2 5 2 35.357 70.715 0.323 4.06 4 3.7 0.1
183 3 4 2 35.386 70.773 0.324 4.05 4 36.3 5.0
184 -4 6 1 35.424 70.847 0.324 4.05 4 2.3 0.0
185 -8 3 1 35.43 70.861 0.324 4.04 4 88.6 29.7
186 1 1 3 35.437 70.875 0.324 4.04 4 9.3 0.3
187 1 6 1 35.46 70.92 0.324 4.04 4 14.4 0.8
188 -8 4 0 35.517 71.034 0.325 4.02 2 102.5 19.8
189 6 4 0 35.585 71.17 0.325 4.01 2 108.7 22.2
190 2 0 3 35.63 71.26 0.326 4.0 4 42.5 6.8
191 0 5 2 35.638 71.275 0.326 4.0 4 2.1 0.0
192 -2 1 3 35.835 71.67 0.327 3.95 4 39.8 5.9
193 8 1 1 35.947 71.894 0.328 3.93 4 15.5 0.9
194 -3 5 2 36.02 72.04 0.329 3.92 4 38.8 5.5
195 4 5 1 36.133 72.266 0.33 3.89 4 0.2 0.0
196 -9 2 0 36.249 72.498 0.331 3.87 2 63.7 7.3
197 8 2 0 36.29 72.58 0.331 3.86 2 65.2 7.7
198 2 1 3 36.372 72.745 0.332 3.84 4 57.5 11.9
199 -7 1 2 36.39 72.781 0.332 3.84 4 53.6 10.3
200 -1 2 3 36.455 72.911 0.332 3.83 4 36.8 4.8
201 0 2 3 36.458 72.915 0.332 3.82 4 41.3 6.1
202 1 5 2 36.575 73.151 0.333 3.8 4 63.7 14.4
203 5 3 2 36.739 73.477 0.334 3.77 4 6.4 0.1
204 9 0 0 36.772 73.544 0.335 3.76 2 296.3 154.7
205 7 0 2 36.855 73.71 0.335 3.75 4 18.3 1.2
206 -7 2 2 36.867 73.733 0.335 3.75 4 32.1 3.6
207 6 2 2 36.898 73.795 0.336 3.74 4 23.3 1.9
208 3 0 3 36.958 73.917 0.336 3.73 4 16.9 1.0
209 -2 2 3 36.982 73.964 0.336 3.72 4 2.9 0.0
210 -6 6 0 36.984 73.968 0.336 3.72 2 263.9 121.3
211 1 2 3 36.989 73.978 0.336 3.72 4 19.9 1.4
212 -5 6 1 37.012 74.024 0.337 3.72 4 5.2 0.1
213 -3 1 3 37.028 74.056 0.337 3.71 4 32.7 3.7
214 3 6 0 37.049 74.097 0.337 3.71 2 258.1 115.7
215 2 6 1 37.062 74.124 0.337 3.71 4 10.3 0.4
216 -4 5 2 37.206 74.411 0.338 3.68 4 43.3 6.5
217 7 3 1 37.474 74.948 0.34 3.63 4 2.8 0.0
218 -7 5 1 37.52 75.04 0.34 3.63 4 19.1 1.2
219 -8 4 1 37.657 75.314 0.342 3.6 4 30.7 3.2
220 6 4 1 37.723 75.447 0.342 3.59 4 15.9 0.8
221 -6 4 2 37.728 75.456 0.342 3.59 4 19.4 1.3
222 4 4 2 37.776 75.551 0.342 3.58 4 38.6 5.0
223 3 1 3 37.823 75.646 0.343 3.57 4 13.0 0.6
224 2 5 2 38.028 76.055 0.344 3.54 4 6.3 0.1
225 -3 2 3 38.029 76.058 0.344 3.54 4 36.8 4.5
226 2 2 3 38.041 76.082 0.344 3.54 4 23.5 1.8
227 -9 1 1 38.167 76.335 0.345 3.52 4 4.5 0.1
228 7 1 2 38.248 76.495 0.346 3.5 4 27.8 2.5
229 -7 3 2 38.27 76.541 0.346 3.5 4 0.4 0.0
230 -9 2 1 38.373 76.746 0.347 3.48 4 12.5 0.5
231 8 2 1 38.413 76.827 0.347 3.48 4 4.9 0.1
232 -1 3 3 38.654 77.308 0.349 3.44 4 66.4 14.2
233 -4 1 3 38.727 77.454 0.35 3.43 4 37.3 4.5
234 0 3 3 38.787 77.574 0.35 3.42 4 28.1 2.5
235 4 0 3 38.789 77.579 0.35 3.42 4 11.2 0.4
236 9 0 1 38.886 77.773 0.351 3.41 4 2.2 0.0
237 -5 5 2 38.897 77.795 0.351 3.4 4 11.4 0.4
238 -2 3 3 39.039 78.079 0.352 3.38 4 15.1 0.7
239 -6 6 1 39.094 78.189 0.353 3.38 4 9.5 0.3
240 5 5 1 39.154 78.308 0.353 3.37 4 2.2 0.0
241 3 6 1 39.158 78.315 0.353 3.37 4 10.8 0.4
242 1 3 3 39.438 78.876 0.355 3.33 4 53.2 8.8
243 -9 4 0 39.453 78.905 0.355 3.33 2 7.9 0.1
244 -9 3 1 39.499 78.999 0.356 3.32 4 68.7 14.7
245 7 4 0 39.527 79.055 0.356 3.32 2 22.1 0.8
246 -7 6 0 39.584 79.168 0.356 3.31 2 0.1 0.0
247 -4 2 3 39.584 79.169 0.356 3.31 4 13.0 0.5
248 3 2 3 39.601 79.201 0.356 3.31 4 4.1 0.1
249 4 6 0 39.661 79.322 0.357 3.3 2 12.2 0.2
250 -2 7 1 39.662 79.325 0.357 3.3 4 139.6 60.2
251 4 1 3 39.771 79.542 0.358 3.28 4 80.2 19.8
252 -1 7 1 39.8 79.599 0.358 3.28 4 33.8 3.5
253 -3 3 3 39.94 79.88 0.359 3.26 4 92.6 26.2
254 3 5 2 39.978 79.955 0.359 3.26 4 26.5 2.1
255 6 3 2 39.999 79.998 0.359 3.25 4 6.6 0.1
256 -3 7 1 40.041 80.082 0.36 3.25 4 38.0 4.4
257 -8 1 2 40.171 80.342 0.361 3.23 4 5.5 0.1
258 -2 6 2 40.215 80.43 0.361 3.23 4 19.0 1.1
259 -1 6 2 40.222 80.444 0.361 3.23 4 16.7 0.8
260 0 7 1 40.451 80.901 0.363 3.2 4 9.6 0.3
261 -8 2 2 40.503 81.007 0.363 3.19 4 10.5 0.3
262 9 1 1 40.516 81.031 0.363 3.19 4 9.8 0.3
263 7 2 2 40.538 81.077 0.363 3.19 4 27.6 2.3
264 -7 4 2 40.572 81.144 0.364 3.19 4 5.4 0.1
265 2 3 3 40.6 81.2 0.364 3.18 4 57.3 9.8
266 5 4 2 40.628 81.256 0.364 3.18 4 19.8 1.2
267 -3 6 2 40.721 81.443 0.365 3.17 4 13.4 0.5
268 0 6 2 40.742 81.484 0.365 3.17 4 4.9 0.1
269 8 0 2 40.751 81.502 0.365 3.17 4 17.5 0.9
270 -8 5 1 40.752 81.504 0.365 3.17 4 32.9 3.2
271 -5 1 3 40.917 81.833 0.366 3.15 4 74.4 16.3
272 -4 7 1 40.931 81.862 0.366 3.15 4 11.4 0.4
273 -10 2 0 40.931 81.862 0.366 3.15 2 10.9 0.2
274 9 2 0 40.975 81.951 0.367 3.14 2 23.3 0.8
275 -6 5 2 41.08 82.16 0.367 3.13 4 33.0 3.2
276 5 0 3 41.107 82.215 0.368 3.13 4 19.7 1.1
277 -4 3 3 41.347 82.694 0.369 3.1 4 3.2 0.0
278 -9 4 1 41.526 83.053 0.371 3.08 4 4.7 0.1
279 7 4 1 41.6 83.201 0.371 3.08 4 0.3 0.0
280 1 7 1 41.611 83.221 0.371 3.08 4 21.6 1.3
281 -5 2 3 41.634 83.269 0.371 3.07 4 143.9 59.6
282 4 2 3 41.655 83.31 0.372 3.07 4 146.6 61.8
283 -7 6 1 41.656 83.313 0.372 3.07 4 2.8 0.0
284 10 0 0 41.694 83.387 0.372 3.07 2 3.1 0.0
285 -1 4 3 41.723 83.447 0.372 3.06 4 122.6 43.1
286 4 6 1 41.733 83.465 0.372 3.06 4 9.5 0.3
287 -4 6 2 41.737 83.474 0.372 3.06 4 21.8 1.4
288 8 3 1 41.739 83.479 0.372 3.06 4 83.6 20.0
289 -8 3 2 41.744 83.488 0.372 3.06 4 14.9 0.6
290 1 6 2 41.772 83.544 0.372 3.06 4 38.5 4.2
291 -2 4 3 41.974 83.948 0.374 3.04 4 14.7 0.6
292 0 4 3 41.983 83.966 0.374 3.04 4 7.1 0.1
293 5 1 3 42.205 84.41 0.376 3.02 4 16.4 0.8
294 8 1 2 42.236 84.472 0.376 3.02 4 0.2 0.0
295 3 3 3 42.264 84.528 0.376 3.01 4 17.4 0.9
296 -5 7 1 42.327 84.654 0.376 3.01 4 6.2 0.1
297 4 5 2 42.414 84.827 0.377 3.0 4 8.3 0.2
298 6 5 1 42.62 85.24 0.379 2.98 4 50.8 7.2
299 -8 6 0 42.649 85.297 0.379 2.98 2 90.7 11.5
300 -3 4 3 42.733 85.466 0.379 2.98 4 71.1 14.1
301 5 6 0 42.738 85.477 0.379 2.97 2 95.8 12.8
302 1 4 3 42.751 85.503 0.379 2.97 4 59.4 9.8
303 -10 1 1 42.919 85.837 0.381 2.96 4 28.3 2.2
304 -10 2 1 42.991 85.982 0.381 2.95 4 18.4 0.9
305 9 2 1 43.035 86.069 0.381 2.95 4 28.1 2.2
306 -5 3 3 43.254 86.507 0.383 2.94 4 0.0 0.0
307 -5 6 2 43.257 86.515 0.383 2.93 4 5.9 0.1
308 2 7 1 43.273 86.547 0.383 2.93 4 12.4 0.4
309 2 6 2 43.306 86.611 0.383 2.93 4 12.7 0.4
310 -6 1 3 43.59 87.18 0.385 2.91 4 16.3 0.7
311 7 3 2 43.703 87.406 0.386 2.9 4 5.9 0.1
312 -7 5 2 43.748 87.495 0.387 2.9 4 10.0 0.3
313 10 0 1 43.748 87.497 0.387 2.9 4 4.1 0.0
314 -10 4 0 43.792 87.583 0.387 2.9 2 18.4 0.5
315 8 4 0 43.874 87.749 0.387 2.89 2 13.5 0.2
316 -8 4 2 43.88 87.76 0.387 2.89 4 49.8 6.7
317 6 0 3 43.908 87.815 0.388 2.89 4 32.7 2.9
318 6 4 2 43.945 87.889 0.388 2.89 4 34.3 3.2
319 -10 3 1 43.966 87.931 0.388 2.89 4 64.9 11.4
320 -4 4 3 43.998 87.996 0.388 2.88 4 9.0 0.2
321 2 4 3 44.026 88.051 0.388 2.88 4 31.8 2.7
322 -2 8 0 44.146 88.291 0.389 2.88 2 30.3 1.2
323 -6 2 3 44.175 88.349 0.39 2.87 4 3.4 0.0
324 5 2 3 44.2 88.4 0.39 2.87 4 5.2 0.1
325 -6 7 1 44.224 88.448 0.39 2.87 4 15.9 0.7
326 -9 1 2 44.375 88.75 0.391 2.86 4 41.8 4.7
327 -3 8 0 44.39 88.78 0.391 2.86 2 12.8 0.2
328 -1 8 0 44.408 88.817 0.391 2.86 2 3.8 0.0
329 4 3 3 44.426 88.853 0.391 2.86 4 16.0 0.7
330 -9 5 1 44.438 88.875 0.391 2.86 4 6.6 0.1
331 -9 2 2 44.575 89.151 0.392 2.85 4 8.7 0.2
332 8 2 2 44.614 89.229 0.393 2.85 4 28.0 2.1
333 -8 6 1 44.699 89.398 0.393 2.84 4 26.9 1.9
334 5 6 1 44.789 89.577 0.394 2.84 4 36.9 3.6
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 3.814 7.628 13.44752 5.4 1.4 1.5 5.6
2 2 0 0 7.645 15.289 6.72376 4.2 1.1 1.2 5.6
3 -1 2 0 10.207 20.415 5.04739 117.4 31.8 33.2 5.6
4 3 0 0 11.51 23.021 4.48251 8.7 2.4 2.5 5.6
5 -2 2 0 11.568 23.136 4.46046 79.8 21.6 22.5 5.6
6 -1 1 1 12.357 24.713 4.17983 13.3 3.6 3.7 5.6
7 1 1 1 12.955 25.91 3.98987 6.4 1.7 1.8 5.6
8 2 0 1 13.366 26.731 3.86935 76.9 20.8 21.6 5.6
9 2 2 0 13.944 27.888 3.71181 215.3 58.3 60.5 5.6
10 2 1 1 14.859 29.718 3.48795 81.1 21.9 22.8 5.6
11 0 2 1 15.023 30.045 3.45084 75.5 20.4 21.2 5.6
12 4 0 0 15.43 30.86 3.36188 47.5 12.8 13.3 5.6
13 3 0 1 15.955 31.91 3.25401 16.7 4.5 4.7 5.6
14 1 2 1 16.011 32.021 3.24298 16.4 4.4 4.6 5.6
15 -3 1 1 16.081 32.161 3.22922 74.6 20.2 20.9 5.6
16 3 1 1 17.469 34.938 2.97961 12.7 3.4 3.6 5.7
17 -3 2 1 17.816 35.632 2.92348 30.3 8.2 8.5 5.7
18 -1 3 1 18.834 37.668 2.7707 219.2 59.3 61.1 5.7
19 -4 1 1 18.95 37.901 2.75433 75.3 20.4 21.0 5.7
20 0 3 1 19.046 38.092 2.74098 73.7 20.0 20.5 5.7
21 5 0 0 19.425 38.85 2.6895 36.8 10.0 10.2 5.7
22 1 3 1 20.056 40.113 2.60818 105.8 28.6 29.4 5.7
23 4 2 0 20.276 40.552 2.58112 6.0 1.6 1.7 5.7
24 4 1 1 20.559 41.117 2.54711 243.2 65.8 67.6 5.7
25 -3 3 1 20.81 41.62 2.51767 229.8 62.2 63.8 5.7
26 2 3 1 21.772 43.544 2.41148 95.0 25.7 26.3 5.7
27 1 4 0 21.901 43.802 2.39801 59.7 16.2 16.5 5.7
28 -5 1 1 22.223 44.446 2.36495 165.3 44.7 45.7 5.7
29 0 1 2 22.852 45.705 2.30317 56.7 15.4 15.7 5.7
30 -5 2 1 23.222 46.444 2.2685 279.0 75.5 77.0 5.7
31 -1 4 1 23.344 46.688 2.25732 171.8 46.5 47.4 5.7
32 -4 4 0 23.645 47.289 2.23023 7.5 2.0 2.1 5.7
33 -2 1 2 23.894 47.787 2.20834 18.5 5.0 5.1 5.7
34 5 1 1 23.995 47.99 2.19956 12.5 3.4 3.4 5.7
35 3 3 1 24.074 48.148 2.19274 20.9 5.7 5.8 5.7
36 2 1 2 24.577 49.154 2.15059 44.0 11.9 12.1 5.7
37 -3 1 2 25.397 50.794 2.08553 30.0 8.1 8.2 5.8
38 -6 1 1 25.804 51.608 2.05484 5.1 1.4 1.4 5.8
39 -5 4 0 25.969 51.938 2.0427 12.6 3.4 3.4 5.8
40 3 4 0 26.015 52.031 2.03929 4.2 1.1 1.1 5.8
41 -1 3 2 27.376 54.752 1.94522 13.9 3.8 3.8 5.8
42 6 1 1 27.713 55.426 1.92338 5.8 1.6 1.6 5.8
43 -1 5 1 28.353 56.706 1.88347 24.8 6.7 6.8 5.8
44 -2 5 1 28.497 56.995 1.87471 6.0 1.6 1.6 5.8
45 -3 5 1 29.24 58.48 1.83114 9.2 2.5 2.5 5.8
46 -7 1 1 29.652 59.305 1.80795 17.6 4.8 4.8 5.8
47 1 5 1 29.858 59.715 1.79665 15.9 4.3 4.3 5.8
48 -7 2 1 30.18 60.36 1.77926 9.5 2.6 2.6 5.8
49 5 0 2 30.235 60.471 1.77629 26.4 7.1 7.2 5.8
50 4 2 2 30.856 61.712 1.74398 369.5 100.0 100.0 5.8
51 -1 4 2 30.933 61.866 1.74007 130.9 35.4 35.4 5.8
52 -7 3 1 31.718 63.436 1.70134 20.3 5.5 5.5 5.9
53 1 4 2 32.081 64.163 1.68409 61.9 16.7 16.7 5.9
54 -3 6 0 32.116 64.232 1.68246 5.1 1.4 1.4 5.9
55 -5 3 2 32.635 65.271 1.65858 7.5 2.0 2.0 5.9
56 -4 6 0 33.224 66.449 1.63247 31.2 8.4 8.4 5.9
57 1 6 0 33.262 66.524 1.63084 34.4 9.3 9.2 5.9
58 -4 4 2 33.449 66.898 1.62277 9.3 2.5 2.5 5.9
59 6 3 1 33.581 67.163 1.61712 63.8 17.3 17.1 5.9
60 -1 6 1 33.819 67.638 1.60709 6.0 1.6 1.6 5.9
61 4 3 2 33.913 67.825 1.60318 6.0 1.6 1.6 5.9
62 6 1 2 34.664 69.328 1.57265 6.5 1.8 1.7 5.9
63 -6 5 1 34.73 69.461 1.57001 9.9 2.7 2.6 5.9
64 0 1 3 35.033 70.065 1.55818 10.9 2.9 2.9 5.9
65 -1 1 3 35.166 70.332 1.55302 4.0 1.1 1.1 5.9
66 -5 4 2 35.348 70.695 1.54608 17.5 4.7 4.7 5.9
67 3 4 2 35.386 70.773 1.5446 5.0 1.4 1.3 5.9
68 -8 3 1 35.43 70.861 1.54293 30.8 8.3 8.2 5.9
69 -8 4 0 35.517 71.034 1.53966 19.8 5.4 5.3 5.9
70 6 4 0 35.585 71.17 1.53711 22.2 6.0 5.9 5.9
71 2 0 3 35.63 71.26 1.53543 6.8 1.8 1.8 5.9
72 -2 1 3 35.835 71.67 1.5278 5.9 1.6 1.6 5.9
73 -3 5 2 36.02 72.04 1.52101 5.5 1.5 1.5 5.9
74 -9 2 0 36.249 72.498 1.51272 7.3 2.0 1.9 5.9
75 8 2 0 36.29 72.58 1.51125 7.7 2.1 2.0 6.0
76 2 1 3 36.372 72.745 1.50828 22.2 6.0 5.9 6.0
77 0 2 3 36.458 72.915 1.50524 11.0 3.0 2.9 6.0
78 1 5 2 36.575 73.151 1.50107 14.4 3.9 3.8 6.0
79 9 0 0 36.772 73.544 1.49417 154.7 41.9 41.0 6.0
80 -7 2 2 36.867 73.733 1.49088 4.8 1.3 1.3 6.0
81 -6 6 0 36.984 73.968 1.48682 122.8 33.2 32.5 6.0
82 3 6 0 37.049 74.097 1.4846 119.5 32.3 31.6 6.0
83 -4 5 2 37.206 74.411 1.47924 6.5 1.7 1.7 6.0
84 4 4 2 37.776 75.551 1.46018 5.0 1.4 1.3 6.0
85 -3 2 3 38.029 76.058 1.4519 6.3 1.7 1.7 6.0
86 -1 3 3 38.654 77.308 1.43202 14.2 3.8 3.7 6.0
87 -4 1 3 38.727 77.454 1.42975 4.5 1.2 1.2 6.0
88 1 3 3 39.438 78.876 1.40806 8.9 2.4 2.3 6.0
89 -9 3 1 39.499 78.999 1.40623 15.4 4.2 4.0 6.0
90 -2 7 1 39.662 79.325 1.4014 60.2 16.3 15.8 6.0
91 4 1 3 39.771 79.542 1.3982 23.3 6.3 6.1 6.0
92 -3 3 3 39.94 79.88 1.39328 26.2 7.1 6.9 6.0
93 -3 7 1 40.041 80.082 1.39035 4.4 1.2 1.1 6.0
94 2 3 3 40.6 81.2 1.37446 11.0 3.0 2.9 6.1
95 -5 1 3 40.917 81.833 1.36567 16.9 4.6 4.4 6.1
96 -6 5 2 41.08 82.16 1.3612 4.3 1.2 1.1 6.1
97 4 2 3 41.655 83.31 1.34577 122.7 33.2 31.8 6.1
98 -1 4 3 41.723 83.447 1.34397 65.5 17.7 17.0 6.1
99 1 6 2 41.772 83.544 1.3427 4.2 1.1 1.1 6.1
100 -8 6 0 42.649 85.297 1.32024 18.7 5.1 4.8 6.1
101 -3 4 3 42.733 85.466 1.31813 36.7 9.9 9.5 6.1
102 -8 4 2 43.88 87.76 1.29042 9.6 2.6 2.5 6.2
103 -10 3 1 43.966 87.931 1.28843 14.6 3.9 3.7 6.2
104 -9 1 2 44.375 88.75 1.27898 4.9 1.3 1.3 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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