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
8, t-clinohumite, at 100'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 =0.0358 NR =2419
27 .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 = 13.636 alpha = 90.0
b = 10.226 beta = 90.0
c = 4.7366 gamma = 100.9
Unit cell volume (cub. angs.) = 648.56
Molar volume ( cub.cm/mol.) = 195.32
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 0.9462 0.4971 0.0 Mg = 1.00
3 0.1698 0.1403 0.0107 0.0 Mg = 1.00
4 0.3882 0.2497 0.5084 0.0 Mg = 1.00
5 0.0435 0.8768 0.4921 0.0 Mg = 0.89, Ti = 0.11
6 0.3894 0.0663 0.0737 0.0 Si = 1.00
7 0.835 0.1767 0.0758 0.0 Si = 1.00
8 0.3879 0.0642 0.7338 0.0 O = 1.00
9 0.3878 0.4193 0.2782 0.0 O = 1.00
10 0.2932 0.1122 0.2231 0.0 O = 1.00
11 0.4866 0.1586 0.2222 0.0 O = 1.00
12 0.1628 0.3228 0.2347 0.0 O = 1.00
13 0.1628 0.9689 0.7771 0.0 O = 1.00
14 0.2624 0.2797 0.7251 0.0 O = 1.00
15 0.0697 0.227 0.7285 0.0 O = 1.00
16 0.055 0.0459 0.262 0.0 OH = 0.52, F = 0.49
17 0.0118 0.0118 0.088 0.0 H = 0.41, 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 0.9462 0.4971
3 3 0.1698 0.1403 0.0107
4 4 0.3882 0.2497 0.5084
5 5 0.0435 0.8768 0.4921
6 6 0.3894 0.0663 0.0737
7 7 0.835 0.1767 0.0758
8 8 0.3879 0.0642 0.7338
9 9 0.3878 0.4193 0.2782
10 10 0.2932 0.1122 0.2231
11 11 0.4866 0.1586 0.2222
12 12 0.1628 0.3228 0.2347
13 13 0.1628 0.9689 0.7771
14 14 0.2624 0.2797 0.7251
15 15 0.0697 0.227 0.7285
16 16 0.055 0.0459 0.262
17 17 0.0118 0.0118 0.088
18 1 0.5 0.5 0.0
19 2 0.7258 0.5538 0.9971
20 3 0.8303 0.3597 0.5107
21 4 0.6118 0.2503 0.0084
22 5 0.9565 0.6232 0.9921
23 6 0.6106 0.4337 0.5737
24 7 0.165 0.3233 0.5758
25 8 0.6121 0.4358 0.2338
26 9 0.6122 0.0807 0.7782
27 10 0.7068 0.3878 0.7231
28 11 0.5134 0.3414 0.7222
29 12 0.8372 0.1772 0.7347
30 13 0.8372 0.5311 0.2771
31 14 0.7376 0.2203 0.2251
32 15 0.9303 0.273 0.2285
33 16 0.945 0.4541 0.762
34 17 0.9882 0.4882 0.588
35 2 0.2742 0.4462 0.0029
36 3 0.1698 0.6403 0.4893
37 4 0.3882 0.7497 0.9916
38 5 0.0435 0.3768 0.0079
39 6 0.3894 0.5663 0.4263
40 7 0.835 0.6767 0.4242
41 8 0.3879 0.5642 0.7662
42 9 0.3878 0.9193 0.2218
43 10 0.2932 0.6122 0.2769
44 11 0.4866 0.6586 0.2778
45 12 0.1628 0.8228 0.2653
46 13 0.1628 0.4689 0.7229
47 14 0.2624 0.7797 0.7749
48 15 0.0697 0.727 0.7715
49 16 0.055 0.5459 0.238
50 17 0.0118 0.5118 0.412
51 2 0.7258 0.0538 0.5029
52 3 0.8303 0.8597 0.9893
53 4 0.6118 0.7503 0.4916
54 5 0.9565 0.1232 0.5079
55 6 0.6106 0.9337 0.9263
56 7 0.165 0.8233 0.9242
57 8 0.6121 0.9358 0.2662
58 9 0.6122 0.5807 0.7218
59 10 0.7068 0.8878 0.7769
60 11 0.5134 0.8414 0.7778
61 12 0.8372 0.6772 0.7653
62 13 0.8372 0.0311 0.2229
63 14 0.7376 0.7203 0.2749
64 15 0.9303 0.773 0.2715
65 16 0.945 0.9541 0.738
66 17 0.9882 0.9882 0.912
X-ray density (g/cm cub.) = 3.22
MU (1/cm) = 163.174 Mass attenuation coefficient (cm**2/g) = 50.63
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.568 6
2.0912 8
2.123 11
2.0689 9
2.0689 9
2.0912 8
2.123 11
2 Mg 2.568 6
2.0999 8
2.1134 10
2.0624 13
2.0825 9
2.0933 12
2.1337 14
3 Mg 2.568 6
2.0279 10
2.1645 12
2.0597 13
2.1857 14
2.2116 15
2.0554 16
4 Mg 2.568 6
2.1761 8
2.0494 9
2.1888 10
2.2316 11
2.0706 14
2.0531 11
5 Mg ,Ti 2.616 6
2.1855 13
2.0248 16
2.1078 12
2.1054 15
1.9954 15
2.0466 16
6 Si 2.148 4
1.6102 8
1.6352 10
1.6337 11
1.6552 9
7 Si 2.148 4
1.6159 12
1.6393 14
1.6423 15
1.6492 13
8 O 3.312 12
2.7421 10
2.8283 10
2.7574 11
2.8502 11
3.0466 13
3.0354 14
3.0383 9
3.0218 11
2.7455 9
2.8418 9
3.0898 14
3.1044 11
9 O 3.312 11
3.172 10
3.2173 11
3.0476 12
2.9187 14
3.3017 14
3.0383 8
2.9166 11
2.7455 8
2.8418 8
2.5528 10
2.5605 11
10 O 3.312 11
2.8283 8
2.7421 8
3.172 9
2.5894 11
3.0423 12
2.9642 13
3.0061 14
2.9911 14
3.1953 16
2.5528 9
3.1577 12
11 O 3.312 10
2.8502 8
2.7574 8
3.2173 9
2.5894 10
3.0218 8
2.9166 9
2.9964 11
2.9964 11
2.5605 9
3.1044 8
12 O 3.312 12
3.0476 9
3.0423 10
2.7682 14
2.845 14
2.7513 15
2.8014 15
2.9357 16
3.114 15
3.1577 10
2.753 13
2.8475 13
2.9378 16
13 O 3.312 11
3.0466 8
2.9642 10
3.2208 14
3.1462 15
2.9143 16
3.0283 16
2.753 12
2.8475 12
2.5656 14
2.558 15
2.9514 16
14 O 3.312 11
3.0354 8
3.3017 9
2.9187 9
2.9911 10
3.0061 10
2.845 12
2.7682 12
3.2208 13
2.5806 15
3.0898 8
2.5656 13
15 O 3.312 12
2.8014 12
2.7513 12
3.1462 13
2.5806 14
3.1169 16
2.8656 16
3.114 12
3.1277 15
3.1277 15
3.1315 16
2.558 13
2.9812 16
16 OH ,F 3.36 12
3.1953 10
2.9357 12
3.0283 13
2.9143 13
2.8656 15
3.1169 15
3.1315 15
2.9378 12
2.9514 13
2.9812 15
2.772 16
2.9599 16
17 H ,H 1.68 1
1.0347 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 3.83 7.661 0.037 445.2 2 3.9 3.3
2 2 0 0 7.678 15.356 0.075 109.1 2 8.4 3.7
3 -1 2 0 10.256 20.512 0.1 60.18 2 60.8 105.7
4 0 2 0 10.262 20.525 0.1 60.1 2 18.2 9.5
5 1 0 1 11.555 23.11 0.112 46.96 4 2.8 0.4
6 3 0 0 11.561 23.121 0.112 46.91 2 19.0 8.1
7 -2 2 0 11.622 23.244 0.113 46.39 2 51.6 58.7
8 1 2 0 11.639 23.279 0.113 46.25 2 29.1 18.6
9 0 1 1 12.052 24.103 0.117 43.0 4 2.6 0.3
10 -1 1 1 12.358 24.717 0.12 40.79 4 18.5 13.3
11 1 1 1 12.962 25.923 0.125 36.9 4 14.2 7.1
12 2 0 1 13.375 26.75 0.129 34.53 4 48.3 76.6
13 -2 1 1 13.805 27.611 0.133 32.28 4 0.6 0.0
14 -3 2 0 13.984 27.968 0.135 31.41 2 76.9 88.4
15 2 2 0 14.008 28.017 0.135 31.3 2 93.5 130.2
16 2 1 1 14.88 29.761 0.144 27.51 4 56.8 84.4
17 -1 2 1 15.043 30.085 0.145 26.88 4 30.5 23.9
18 0 2 1 15.047 30.094 0.145 26.86 4 45.5 52.8
19 4 0 0 15.498 30.996 0.149 25.21 2 62.8 47.3
20 3 0 1 15.983 31.967 0.154 23.59 4 28.0 17.6
21 -2 2 1 16.029 32.058 0.154 23.45 4 4.4 0.4
22 1 2 1 16.042 32.084 0.154 23.41 4 27.3 16.6
23 -3 1 1 16.111 32.222 0.155 23.19 4 58.1 74.5
24 -4 2 0 16.964 33.928 0.163 20.74 2 7.2 0.5
25 3 2 0 16.993 33.985 0.163 20.66 2 16.5 2.7
26 3 1 1 17.509 35.017 0.168 19.36 4 26.8 13.2
27 -3 2 1 17.859 35.719 0.171 18.53 4 39.0 26.8
28 2 2 1 17.879 35.758 0.172 18.49 4 14.5 3.7
29 -1 3 1 18.887 37.774 0.181 16.39 4 118.4 218.6
30 -4 1 1 19.0 37.999 0.182 16.17 4 69.9 75.2
31 4 0 1 19.099 38.198 0.183 15.99 4 18.1 5.0
32 0 3 1 19.1 38.2 0.183 15.99 4 67.2 68.7
33 -2 3 1 19.499 38.998 0.187 15.27 4 16.6 4.0
34 5 0 0 19.512 39.024 0.187 15.25 2 67.0 32.5
35 1 3 1 20.117 40.233 0.192 14.25 4 89.0 107.3
36 -5 2 0 20.337 40.675 0.194 13.91 2 20.1 2.7
37 -4 2 1 20.337 40.675 0.194 13.91 4 12.6 2.1
38 3 2 1 20.362 40.724 0.195 13.87 4 2.9 0.1
39 4 2 0 20.369 40.738 0.195 13.86 2 24.5 4.0
40 -1 4 0 20.48 40.96 0.196 13.69 2 1.5 0.0
41 4 1 1 20.618 41.236 0.197 13.49 4 138.5 246.0
42 -2 4 0 20.86 41.72 0.199 13.14 2 4.6 0.1
43 0 4 0 20.874 41.747 0.199 13.12 2 15.4 1.5
44 -3 3 1 20.875 41.751 0.199 13.12 4 136.6 232.8
45 2 3 1 21.843 43.686 0.208 11.85 4 92.2 95.9
46 -3 4 0 21.981 43.963 0.209 11.68 2 66.3 24.4
47 1 4 0 22.008 44.016 0.209 11.65 2 79.5 35.0
48 0 0 2 22.19 44.38 0.211 11.44 2 12.2 0.8
49 -5 1 1 22.293 44.586 0.212 11.32 4 124.3 166.3
50 1 0 2 22.553 45.107 0.214 11.03 4 5.8 0.4
51 5 0 1 22.563 45.125 0.214 11.02 4 10.5 1.2
52 0 1 2 22.833 45.666 0.217 10.72 4 74.6 56.8
53 -4 3 1 22.903 45.806 0.218 10.65 4 1.0 0.0
54 -1 1 2 23.009 46.019 0.219 10.54 4 2.9 0.1
55 -5 2 1 23.299 46.599 0.221 10.25 4 122.4 146.0
56 4 2 1 23.328 46.656 0.221 10.22 4 118.7 136.9
57 1 1 2 23.366 46.731 0.222 10.18 4 15.6 2.4
58 -1 4 1 23.427 46.855 0.222 10.12 4 134.2 173.3
59 2 0 2 23.617 47.233 0.224 9.94 4 3.7 0.1
60 6 0 0 23.629 47.258 0.224 9.92 2 23.0 2.5
61 -4 4 0 23.76 47.52 0.225 9.8 2 40.1 7.5
62 -2 4 1 23.77 47.539 0.225 9.79 4 4.1 0.2
63 0 4 1 23.782 47.564 0.225 9.78 4 3.7 0.1
64 2 4 0 23.797 47.595 0.226 9.77 2 8.0 0.3
65 -2 1 2 23.883 47.767 0.226 9.69 4 44.8 18.5
66 -6 2 0 23.995 47.99 0.227 9.58 2 13.2 0.8
67 5 2 0 24.029 48.058 0.228 9.55 2 5.8 0.2
68 5 1 1 24.075 48.151 0.228 9.51 4 37.2 12.5
69 3 3 1 24.159 48.317 0.229 9.44 4 48.4 21.1
70 2 1 2 24.573 49.145 0.232 9.08 4 72.2 45.0
71 -1 2 2 24.68 49.359 0.233 8.99 4 13.0 1.5
72 0 2 2 24.683 49.365 0.233 8.99 4 0.3 0.0
73 -3 4 1 24.787 49.574 0.234 8.9 4 2.7 0.1
74 1 4 1 24.811 49.622 0.235 8.88 4 8.9 0.7
75 3 0 2 25.313 50.625 0.239 8.49 4 0.8 0.0
76 -2 2 2 25.344 50.688 0.239 8.46 4 9.2 0.7
77 1 2 2 25.353 50.705 0.239 8.46 4 4.5 0.2
78 -3 1 2 25.4 50.8 0.24 8.42 4 52.0 21.7
79 -5 3 1 25.465 50.93 0.24 8.37 4 32.9 8.6
80 -6 1 1 25.896 51.791 0.244 8.06 4 25.9 5.1
81 -5 4 0 26.096 52.192 0.246 7.92 2 57.7 12.6
82 3 4 0 26.143 52.285 0.246 7.89 2 32.8 4.0
83 6 0 1 26.3 52.6 0.248 7.78 4 4.4 0.1
84 3 1 2 26.385 52.77 0.248 7.72 4 0.1 0.0
85 -4 4 1 26.421 52.843 0.249 7.7 4 3.8 0.1
86 2 4 1 26.456 52.912 0.249 7.67 4 8.8 0.6
87 -6 2 1 26.639 53.278 0.251 7.55 4 4.1 0.1
88 -3 2 2 26.639 53.278 0.251 7.55 4 17.7 2.3
89 2 2 2 26.653 53.307 0.251 7.55 4 12.7 1.2
90 5 2 1 26.67 53.341 0.251 7.53 4 14.4 1.5
91 4 3 1 26.956 53.912 0.253 7.35 4 13.2 1.2
92 -1 3 2 27.399 54.797 0.257 7.09 4 45.9 14.2
93 -4 1 2 27.483 54.966 0.258 7.04 4 17.5 2.0
94 4 0 2 27.558 55.116 0.259 6.99 4 3.2 0.1
95 0 3 2 27.559 55.118 0.259 6.99 4 17.8 2.1
96 6 1 1 27.816 55.633 0.261 6.85 4 30.3 6.0
97 -2 3 2 27.861 55.722 0.261 6.82 4 8.5 0.5
98 7 0 0 27.879 55.759 0.261 6.81 2 14.0 0.6
99 -7 2 0 27.895 55.789 0.262 6.8 2 29.5 2.8
100 6 2 0 27.931 55.861 0.262 6.78 2 10.4 0.4
101 1 3 2 28.335 56.67 0.265 6.57 4 2.2 0.0
102 -6 3 1 28.467 56.934 0.266 6.5 4 16.7 1.7
103 -1 5 1 28.47 56.939 0.266 6.5 4 62.3 24.0
104 -4 2 2 28.506 57.012 0.267 6.48 4 2.4 0.0
105 3 2 2 28.525 57.051 0.267 6.47 4 4.8 0.1
106 -5 4 1 28.601 57.201 0.268 6.43 4 0.9 0.0
107 -2 5 1 28.615 57.23 0.268 6.42 4 31.2 6.0
108 3 4 1 28.644 57.288 0.268 6.41 4 4.8 0.1
109 4 1 2 28.725 57.45 0.269 6.37 4 16.7 1.7
110 -6 4 0 28.901 57.802 0.27 6.28 2 9.2 0.3
111 -3 3 2 28.927 57.853 0.27 6.27 4 5.6 0.2
112 0 5 1 28.932 57.863 0.27 6.26 4 9.1 0.5
113 4 4 0 28.955 57.91 0.271 6.25 2 23.7 1.7
114 -3 5 1 29.362 58.725 0.274 6.06 4 39.9 9.2
115 2 3 2 29.696 59.391 0.277 5.91 4 12.1 0.8
116 -7 1 1 29.768 59.535 0.278 5.87 4 54.6 16.7
117 1 5 1 29.983 59.967 0.279 5.78 4 54.3 16.2
118 -5 1 2 30.058 60.117 0.28 5.75 4 13.8 1.0
119 5 3 1 30.159 60.318 0.281 5.71 4 4.8 0.1
120 5 0 2 30.277 60.555 0.282 5.66 4 50.7 13.8
121 7 0 1 30.285 60.57 0.282 5.65 4 18.7 1.9
122 -7 2 1 30.3 60.599 0.282 5.65 4 37.0 7.4
123 6 2 1 30.334 60.668 0.282 5.63 4 48.9 12.8
124 -4 3 2 30.555 61.111 0.284 5.54 4 6.8 0.2
125 -4 5 1 30.684 61.367 0.285 5.49 4 16.9 1.5
126 -5 2 2 30.881 61.762 0.287 5.41 4 189.4 184.7
127 4 2 2 30.904 61.809 0.287 5.4 4 192.9 191.3
128 -1 4 2 30.987 61.973 0.288 5.37 4 161.9 133.9
129 -6 4 1 31.257 62.514 0.29 5.27 4 15.3 1.2
130 -2 4 2 31.27 62.54 0.29 5.27 4 6.3 0.2
131 0 4 2 31.281 62.561 0.29 5.26 4 22.4 2.5
132 4 4 1 31.309 62.618 0.29 5.25 4 17.9 1.6
133 5 1 2 31.525 63.05 0.292 5.17 4 14.4 1.0
134 2 5 1 31.589 63.178 0.293 5.15 4 17.7 1.5
135 3 3 2 31.595 63.189 0.293 5.15 4 18.0 1.6
136 -2 6 0 31.724 63.447 0.294 5.1 2 24.5 1.5
137 -1 6 0 31.731 63.462 0.294 5.1 2 8.0 0.2
138 7 1 1 31.821 63.642 0.295 5.07 4 27.9 3.8
139 -7 3 1 31.85 63.699 0.295 5.06 4 58.7 16.6
140 -8 2 0 32.032 64.064 0.296 5.0 2 22.2 1.2
141 7 2 0 32.07 64.14 0.297 4.98 2 25.6 1.6
142 -7 4 0 32.113 64.225 0.297 4.97 2 37.4 3.3
143 -3 4 2 32.123 64.246 0.297 4.96 4 66.4 20.8
144 1 4 2 32.143 64.287 0.297 4.96 4 93.3 41.0
145 5 4 0 32.174 64.347 0.298 4.95 2 27.4 1.8
146 -3 6 0 32.285 64.57 0.299 4.91 2 36.1 3.0
147 8 0 0 32.304 64.608 0.299 4.9 2 22.4 1.2
148 0 6 0 32.308 64.615 0.299 4.9 2 29.1 2.0
149 -5 5 1 32.539 65.078 0.301 4.83 4 16.3 1.2
150 -5 3 2 32.699 65.399 0.302 4.78 4 41.1 7.7
151 -6 1 2 33.068 66.136 0.305 4.66 4 0.5 0.0
152 -4 6 0 33.4 66.799 0.308 4.57 2 119.4 30.9
153 6 0 2 33.416 66.833 0.308 4.56 4 23.9 2.5
154 1 6 0 33.437 66.874 0.308 4.56 2 124.5 33.6
155 -4 4 2 33.521 67.043 0.309 4.53 4 46.9 9.5
156 2 4 2 33.551 67.103 0.309 4.52 4 10.0 0.4
157 3 5 1 33.707 67.413 0.31 4.48 4 55.8 13.3
158 -6 2 2 33.71 67.42 0.31 4.48 4 11.0 0.5
159 6 3 1 33.724 67.449 0.31 4.47 4 109.9 51.4
160 5 2 2 33.737 67.475 0.31 4.47 4 5.8 0.1
161 -8 1 1 33.906 67.813 0.312 4.42 4 4.0 0.1
162 -2 6 1 33.966 67.932 0.312 4.41 4 20.8 1.8
163 -1 6 1 33.974 67.947 0.312 4.41 4 31.6 4.2
164 4 3 2 33.986 67.972 0.312 4.4 4 38.5 6.2
165 -8 2 1 34.264 68.528 0.315 4.33 4 18.7 1.4
166 7 2 1 34.301 68.602 0.315 4.32 4 13.8 0.8
167 -7 4 1 34.342 68.684 0.315 4.31 4 0.2 0.0
168 5 4 1 34.401 68.802 0.316 4.29 4 15.3 1.0
169 -3 6 1 34.508 69.017 0.317 4.27 4 7.0 0.2
170 8 0 1 34.527 69.054 0.317 4.26 4 4.6 0.1
171 0 6 1 34.53 69.061 0.317 4.26 4 11.2 0.5
172 6 1 2 34.74 69.48 0.319 4.21 4 40.8 6.7
173 1 0 3 34.781 69.563 0.319 4.2 4 2.5 0.0
174 -6 5 1 34.887 69.774 0.32 4.17 4 49.5 9.7
175 0 1 3 34.993 69.987 0.321 4.15 4 53.0 11.1
176 -5 6 0 35.042 70.084 0.321 4.13 2 11.1 0.2
177 2 6 0 35.093 70.186 0.321 4.12 2 20.7 0.8
178 -1 1 3 35.128 70.256 0.322 4.11 4 31.9 4.0
179 -6 3 2 35.316 70.632 0.323 4.07 4 13.4 0.7
180 -1 5 2 35.318 70.636 0.323 4.07 4 14.9 0.9
181 1 1 3 35.402 70.803 0.324 4.05 4 7.9 0.2
182 -5 4 2 35.434 70.869 0.324 4.04 4 67.8 17.7
183 -2 5 2 35.447 70.895 0.324 4.04 4 3.8 0.1
184 3 4 2 35.473 70.947 0.324 4.03 4 35.2 4.8
185 -8 3 1 35.586 71.173 0.325 4.01 4 88.9 30.1
186 -4 6 1 35.589 71.178 0.325 4.01 4 2.4 0.0
187 2 0 3 35.596 71.191 0.325 4.01 4 42.6 6.9
188 1 6 1 35.625 71.25 0.326 4.0 4 13.7 0.7
189 -8 4 0 35.7 71.399 0.326 3.98 2 101.3 19.4
190 0 5 2 35.73 71.459 0.326 3.98 4 1.8 0.0
191 6 4 0 35.767 71.535 0.327 3.97 2 108.0 22.0
192 -2 1 3 35.803 71.606 0.327 3.96 4 39.0 5.7
193 8 1 1 36.103 72.206 0.329 3.9 4 15.4 0.9
194 -3 5 2 36.115 72.23 0.329 3.9 4 39.0 5.6
195 4 5 1 36.298 72.597 0.331 3.86 4 0.9 0.0
196 2 1 3 36.345 72.69 0.331 3.85 4 57.6 12.1
197 -1 2 3 36.43 72.86 0.332 3.83 4 36.9 5.0
198 -9 2 0 36.432 72.863 0.332 3.83 2 62.8 7.2
199 0 2 3 36.432 72.865 0.332 3.83 4 41.0 6.1
200 8 2 0 36.473 72.945 0.332 3.82 2 65.0 7.7
201 -7 1 2 36.48 72.96 0.332 3.82 4 53.6 10.4
202 1 5 2 36.675 73.349 0.334 3.78 4 63.8 14.6
203 5 3 2 36.833 73.666 0.335 3.75 4 6.7 0.2
204 3 0 3 36.936 73.872 0.336 3.73 4 16.9 1.0
205 7 0 2 36.948 73.895 0.336 3.73 4 18.2 1.2
206 9 0 0 36.957 73.914 0.336 3.73 2 296.3 155.6
207 -7 2 2 36.961 73.922 0.336 3.73 4 32.4 3.7
208 -2 2 3 36.961 73.922 0.336 3.73 4 2.6 0.0
209 1 2 3 36.968 73.937 0.336 3.73 4 19.7 1.4
210 6 2 2 36.992 73.984 0.336 3.72 4 22.7 1.8
211 -3 1 3 37.006 74.013 0.336 3.72 4 33.6 4.0
212 -6 6 0 37.183 74.366 0.338 3.69 2 264.4 122.5
213 -5 6 1 37.188 74.376 0.338 3.69 4 4.9 0.1
214 2 6 1 37.238 74.476 0.338 3.68 4 10.3 0.4
215 3 6 0 37.247 74.495 0.338 3.67 2 259.2 117.4
216 -4 5 2 37.31 74.62 0.339 3.66 4 43.1 6.5
217 7 3 1 37.643 75.287 0.341 3.6 4 3.0 0.0
218 -7 5 1 37.696 75.392 0.342 3.6 4 18.9 1.2
219 3 1 3 37.808 75.617 0.343 3.58 4 13.5 0.6
220 -8 4 1 37.831 75.661 0.343 3.57 4 30.3 3.1
221 -6 4 2 37.833 75.666 0.343 3.57 4 18.7 1.2
222 4 4 2 37.881 75.761 0.343 3.56 4 38.8 5.1
223 6 4 1 37.897 75.794 0.343 3.56 4 15.5 0.8
224 -3 2 3 38.018 76.035 0.344 3.54 4 36.3 4.4
225 2 2 3 38.03 76.059 0.344 3.54 4 23.7 1.9
226 2 5 2 38.138 76.276 0.345 3.52 4 6.2 0.1
227 -9 1 1 38.339 76.678 0.347 3.49 4 5.3 0.1
228 7 1 2 38.351 76.702 0.347 3.49 4 28.0 2.6
229 -7 3 2 38.377 76.755 0.347 3.48 4 0.4 0.0
230 -9 2 1 38.548 77.095 0.348 3.46 4 12.6 0.5
231 8 2 1 38.588 77.175 0.349 3.45 4 4.7 0.1
232 -1 3 3 38.649 77.299 0.349 3.44 4 66.3 14.4
233 -4 1 3 38.72 77.441 0.35 3.43 4 36.5 4.3
234 4 0 3 38.783 77.566 0.35 3.42 4 11.4 0.4
235 0 3 3 38.784 77.568 0.35 3.42 4 28.6 2.7
236 -5 5 2 39.015 78.029 0.352 3.39 4 11.4 0.4
237 -2 3 3 39.038 78.077 0.352 3.38 4 16.4 0.9
238 9 0 1 39.063 78.126 0.352 3.38 4 2.0 0.0
239 -6 6 1 39.285 78.57 0.354 3.35 4 9.6 0.3
240 5 5 1 39.341 78.682 0.354 3.34 4 1.9 0.0
241 3 6 1 39.348 78.697 0.354 3.34 4 10.7 0.4
242 1 3 3 39.44 78.881 0.355 3.33 4 53.3 9.0
243 -4 2 3 39.586 79.173 0.356 3.31 4 13.0 0.5
244 3 2 3 39.603 79.205 0.356 3.31 4 4.1 0.1
245 -9 4 0 39.662 79.324 0.357 3.3 2 8.2 0.1
246 -9 3 1 39.684 79.368 0.357 3.3 4 68.8 14.9
247 7 4 0 39.737 79.473 0.357 3.29 2 22.2 0.8
248 4 1 3 39.773 79.547 0.358 3.28 4 80.3 20.1
249 -7 6 0 39.801 79.602 0.358 3.28 2 0.1 0.0
250 -2 7 1 39.862 79.723 0.358 3.27 4 139.3 60.4
251 4 6 0 39.878 79.756 0.358 3.27 2 12.7 0.3
252 -3 3 3 39.947 79.893 0.359 3.26 4 93.2 26.9
253 -1 7 1 40.0 79.999 0.359 3.25 4 33.7 3.5
254 3 5 2 40.103 80.206 0.36 3.24 4 26.6 2.2
255 6 3 2 40.119 80.238 0.36 3.24 4 6.4 0.1
256 -3 7 1 40.243 80.485 0.361 3.22 4 37.9 4.4
257 -8 1 2 40.29 80.58 0.361 3.22 4 5.3 0.1
258 -2 6 2 40.346 80.692 0.362 3.21 4 19.7 1.2
259 -1 6 2 40.353 80.706 0.362 3.21 4 16.5 0.8
260 2 3 3 40.612 81.224 0.364 3.18 4 56.8 9.7
261 -8 2 2 40.626 81.252 0.364 3.18 4 10.2 0.3
262 0 7 1 40.656 81.311 0.364 3.18 4 8.4 0.2
263 7 2 2 40.661 81.322 0.364 3.18 4 28.1 2.4
264 -7 4 2 40.7 81.399 0.365 3.17 4 5.3 0.1
265 9 1 1 40.705 81.41 0.365 3.17 4 9.7 0.3
266 5 4 2 40.755 81.51 0.365 3.17 4 20.1 1.2
267 -3 6 2 40.857 81.713 0.366 3.15 4 14.0 0.6
268 8 0 2 40.874 81.748 0.366 3.15 4 17.3 0.9
269 0 6 2 40.877 81.755 0.366 3.15 4 4.8 0.1
270 -5 1 3 40.929 81.858 0.366 3.15 4 74.3 16.5
271 -8 5 1 40.952 81.903 0.366 3.14 4 33.8 3.4
272 5 0 3 41.121 82.242 0.368 3.13 4 19.3 1.1
273 -4 7 1 41.14 82.28 0.368 3.12 4 10.2 0.3
274 -10 2 0 41.147 82.294 0.368 3.12 2 10.2 0.2
275 9 2 0 41.191 82.382 0.368 3.12 2 22.4 0.7
276 -6 5 2 41.215 82.429 0.368 3.12 4 32.6 3.2
277 -4 3 3 41.366 82.732 0.369 3.1 4 4.4 0.1
278 -5 2 3 41.654 83.308 0.372 3.07 4 144.4 60.9
279 4 2 3 41.675 83.349 0.372 3.07 4 146.9 63.0
280 -9 4 1 41.729 83.458 0.372 3.06 4 5.0 0.1
281 -1 4 3 41.748 83.496 0.372 3.06 4 123.5 44.4
282 7 4 1 41.803 83.605 0.373 3.06 4 0.1 0.0
283 1 7 1 41.824 83.649 0.373 3.05 4 21.3 1.3
284 -7 6 1 41.867 83.733 0.373 3.05 4 3.0 0.0
285 -8 3 2 41.878 83.756 0.373 3.05 4 14.4 0.6
286 -4 6 2 41.881 83.761 0.373 3.05 4 21.0 1.3
287 10 0 0 41.914 83.828 0.373 3.05 2 3.6 0.0
288 1 6 2 41.915 83.83 0.373 3.05 4 37.7 4.1
289 8 3 1 41.94 83.881 0.374 3.04 4 82.7 19.8
290 4 6 1 41.943 83.885 0.374 3.04 4 9.4 0.3
291 -2 4 3 42.0 84.001 0.374 3.04 4 14.5 0.6
292 0 4 3 42.01 84.019 0.374 3.04 4 7.2 0.1
293 5 1 3 42.228 84.456 0.376 3.02 4 15.5 0.7
294 3 3 3 42.291 84.581 0.376 3.01 4 18.2 1.0
295 8 1 2 42.371 84.742 0.377 3.01 4 0.1 0.0
296 -5 7 1 42.547 85.093 0.378 2.99 4 6.6 0.1
297 4 5 2 42.558 85.117 0.378 2.99 4 8.2 0.2
298 -3 4 3 42.766 85.532 0.38 2.97 4 70.9 14.2
299 1 4 3 42.784 85.569 0.38 2.97 4 59.3 9.9
300 6 5 1 42.833 85.666 0.38 2.97 4 50.2 7.1
301 -8 6 0 42.889 85.778 0.38 2.96 2 90.1 11.4
302 5 6 0 42.979 85.957 0.381 2.96 2 95.0 12.7
303 -10 1 1 43.127 86.253 0.382 2.94 4 28.2 2.2
304 -10 2 1 43.201 86.402 0.383 2.94 4 18.8 1.0
305 9 2 1 43.245 86.489 0.383 2.94 4 28.3 2.2
306 -5 3 3 43.289 86.578 0.383 2.93 4 0.8 0.0
307 -5 6 2 43.413 86.826 0.384 2.92 4 5.6 0.1
308 2 6 2 43.461 86.923 0.385 2.92 4 12.6 0.4
309 2 7 1 43.5 87.0 0.385 2.92 4 12.6 0.4
310 -6 1 3 43.626 87.251 0.386 2.91 4 16.7 0.8
311 7 3 2 43.853 87.707 0.387 2.89 4 6.0 0.1
312 -7 5 2 43.904 87.808 0.388 2.89 4 9.9 0.3
313 6 0 3 43.945 87.89 0.388 2.89 4 32.5 2.9
314 10 0 1 43.963 87.926 0.388 2.89 4 4.0 0.0
315 -10 4 0 44.034 88.069 0.389 2.88 2 18.0 0.4
316 -8 4 2 44.035 88.069 0.389 2.88 4 49.3 6.7
317 -4 4 3 44.042 88.084 0.389 2.88 4 9.1 0.2
318 2 4 3 44.069 88.139 0.389 2.88 4 31.5 2.7
319 6 4 2 44.099 88.198 0.389 2.88 4 33.8 3.1
320 8 4 0 44.117 88.234 0.389 2.88 2 14.5 0.3
321 -10 3 1 44.185 88.37 0.39 2.87 4 64.8 11.5
322 -6 2 3 44.216 88.432 0.39 2.87 4 3.2 0.0
323 5 2 3 44.241 88.482 0.39 2.87 4 5.2 0.1
324 -2 8 0 44.407 88.815 0.391 2.86 2 30.8 1.3
325 -6 7 1 44.459 88.918 0.392 2.86 4 15.2 0.6
326 4 3 3 44.471 88.943 0.392 2.86 4 14.9 0.6
327 -9 1 2 44.529 89.057 0.392 2.85 4 41.9 4.8
328 -3 8 0 44.654 89.308 0.393 2.85 2 12.6 0.2
329 -9 5 1 44.667 89.333 0.393 2.85 4 6.8 0.1
330 -1 8 0 44.672 89.344 0.393 2.85 2 3.6 0.0
331 -9 2 2 44.732 89.463 0.393 2.84 4 8.0 0.2
332 8 2 2 44.771 89.541 0.394 2.84 4 28.3 2.2
333 -8 6 1 44.934 89.868 0.395 2.83 4 26.7 1.9
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 2 0 10.256 20.512 5.02386 115.2 30.6 32.0 5.6
2 3 0 0 11.561 23.121 4.46327 8.1 2.1 2.2 5.6
3 -2 2 0 11.622 23.244 4.44001 77.3 20.6 21.4 5.6
4 -1 1 1 12.358 24.717 4.17924 13.3 3.5 3.7 5.6
5 1 1 1 12.962 25.923 3.98784 7.1 1.9 2.0 5.6
6 2 0 1 13.375 26.75 3.86671 76.6 20.4 21.2 5.6
7 2 2 0 14.008 28.017 3.69517 218.7 58.2 60.4 5.6
8 2 1 1 14.88 29.761 3.48306 84.4 22.5 23.3 5.6
9 0 2 1 15.047 30.094 3.44534 76.7 20.4 21.1 5.6
10 4 0 0 15.498 30.996 3.34745 47.3 12.6 13.0 5.6
11 3 0 1 15.983 31.967 3.24834 17.6 4.7 4.9 5.6
12 1 2 1 16.042 32.084 3.23679 16.6 4.4 4.6 5.6
13 -3 1 1 16.111 32.222 3.22333 74.5 19.8 20.5 5.6
14 3 1 1 17.509 35.017 2.9731 13.2 3.5 3.6 5.7
15 -3 2 1 17.859 35.719 2.91656 30.5 8.1 8.4 5.7
16 -1 3 1 18.887 37.774 2.76323 218.6 58.1 59.9 5.7
17 -4 1 1 19.0 37.999 2.74745 75.2 20.0 20.6 5.7
18 0 3 1 19.1 38.2 2.7335 73.7 19.6 20.2 5.7
19 5 0 0 19.512 39.024 2.67796 36.5 9.7 10.0 5.7
20 1 3 1 20.117 40.233 2.60068 107.3 28.5 29.3 5.7
21 -5 2 0 20.337 40.675 2.57365 4.9 1.3 1.3 5.7
22 4 2 0 20.369 40.738 2.56982 4.0 1.1 1.1 5.7
23 4 1 1 20.618 41.236 2.5401 246.0 65.4 67.2 5.7
24 -3 3 1 20.875 41.751 2.51017 234.2 62.3 63.9 5.7
25 2 3 1 21.843 43.686 2.40405 95.9 25.5 26.1 5.7
26 1 4 0 22.008 44.016 2.38693 59.4 15.8 16.2 5.7
27 -5 1 1 22.293 44.586 2.35793 166.3 44.2 45.2 5.7
28 0 1 2 22.833 45.666 2.30506 56.8 15.1 15.4 5.7
29 -5 2 1 23.299 46.599 2.26139 282.9 75.2 76.8 5.7
30 -1 4 1 23.427 46.855 2.24973 173.3 46.1 47.0 5.7
31 -4 4 0 23.76 47.52 2.22 7.8 2.1 2.1 5.7
32 -2 1 2 23.883 47.767 2.20922 18.5 4.9 5.0 5.7
33 5 1 1 24.075 48.151 2.19264 12.5 3.3 3.4 5.7
34 3 3 1 24.159 48.317 2.18553 21.1 5.6 5.7 5.7
35 2 1 2 24.573 49.145 2.15093 45.0 12.0 12.2 5.7
36 -3 1 2 25.4 50.8 2.0853 21.7 5.8 5.9 5.8
37 -5 3 1 25.465 50.93 2.08033 8.6 2.3 2.3 5.8
38 -6 1 1 25.896 51.791 2.04807 5.1 1.4 1.4 5.8
39 -5 4 0 26.096 52.192 2.03343 12.6 3.3 3.4 5.8
40 3 4 0 26.143 52.285 2.03007 4.0 1.1 1.1 5.8
41 -1 3 2 27.399 54.797 1.94372 14.2 3.8 3.8 5.8
42 6 1 1 27.816 55.633 1.91682 6.0 1.6 1.6 5.8
43 -1 5 1 28.47 56.939 1.87638 25.7 6.8 6.9 5.8
44 -2 5 1 28.615 57.23 1.86765 6.0 1.6 1.6 5.8
45 -3 5 1 29.362 58.725 1.8242 9.2 2.4 2.5 5.8
46 -7 1 1 29.768 59.535 1.80159 16.7 4.4 4.4 5.8
47 1 5 1 29.983 59.967 1.78982 16.2 4.3 4.3 5.8
48 5 0 2 30.277 60.555 1.77407 23.1 6.1 6.2 5.8
49 6 2 1 30.334 60.668 1.77108 12.8 3.4 3.4 5.8
50 4 2 2 30.904 61.809 1.74153 375.9 100.0 100.0 5.8
51 -1 4 2 30.987 61.973 1.73737 133.9 35.6 35.6 5.8
52 0 4 2 31.281 62.561 1.72267 5.5 1.5 1.5 5.8
53 -7 3 1 31.85 63.699 1.69505 20.3 5.4 5.4 5.9
54 1 4 2 32.143 64.287 1.68119 65.1 17.3 17.3 5.9
55 -3 6 0 32.285 64.57 1.67462 6.2 1.6 1.6 5.9
56 -5 3 2 32.699 65.399 1.6557 7.7 2.0 2.0 5.9
57 -4 6 0 33.4 66.799 1.62489 33.4 8.9 8.8 5.9
58 1 6 0 33.437 66.874 1.62328 33.6 8.9 8.9 5.9
59 -4 4 2 33.521 67.043 1.61967 9.5 2.5 2.5 5.9
60 6 3 1 33.724 67.449 1.61107 65.2 17.3 17.2 5.9
61 4 3 2 33.986 67.972 1.60014 12.2 3.2 3.2 5.9
62 6 1 2 34.74 69.48 1.56963 6.7 1.8 1.8 5.9
63 -6 5 1 34.887 69.774 1.56384 9.7 2.6 2.6 5.9
64 0 1 3 34.993 69.987 1.5597 11.1 2.9 2.9 5.9
65 -1 1 3 35.128 70.256 1.55449 4.0 1.1 1.0 5.9
66 -5 4 2 35.434 70.869 1.54278 17.7 4.7 4.6 5.9
67 3 4 2 35.473 70.947 1.54131 4.8 1.3 1.2 5.9
68 -8 3 1 35.586 71.173 1.53706 37.1 9.9 9.7 5.9
69 -8 4 0 35.7 71.399 1.53283 19.4 5.2 5.1 5.9
70 6 4 0 35.767 71.535 1.53031 22.0 5.9 5.8 5.9
71 -2 1 3 35.803 71.606 1.52899 5.7 1.5 1.5 5.9
72 -3 5 2 36.115 72.23 1.51755 5.6 1.5 1.5 5.9
73 2 1 3 36.345 72.69 1.50926 12.1 3.2 3.2 6.0
74 0 2 3 36.432 72.865 1.50615 18.3 4.9 4.8 6.0
75 -7 1 2 36.48 72.96 1.50446 18.1 4.8 4.7 6.0
76 1 5 2 36.675 73.349 1.49758 14.6 3.9 3.8 6.0
77 -7 2 2 36.961 73.922 1.48762 161.5 43.0 42.1 6.0
78 -3 1 3 37.006 74.013 1.48605 7.2 1.9 1.9 6.0
79 -6 6 0 37.183 74.366 1.48 122.6 32.6 31.9 6.0
80 3 6 0 37.247 74.495 1.47782 117.4 31.2 30.5 6.0
81 -4 5 2 37.31 74.62 1.4757 6.5 1.7 1.7 6.0
82 -8 4 1 37.831 75.661 1.45837 4.3 1.1 1.1 6.0
83 4 4 2 37.881 75.761 1.45673 5.9 1.6 1.5 6.0
84 -3 2 3 38.018 76.035 1.45227 6.3 1.7 1.6 6.0
85 -1 3 3 38.649 77.299 1.43216 14.4 3.8 3.7 6.0
86 -4 1 3 38.72 77.441 1.42995 4.3 1.2 1.1 6.0
87 1 3 3 39.44 78.881 1.40799 9.0 2.4 2.3 6.0
88 -9 3 1 39.684 79.368 1.40076 14.9 4.0 3.8 6.0
89 4 1 3 39.773 79.547 1.39813 20.1 5.4 5.2 6.0
90 -2 7 1 39.862 79.723 1.39555 60.7 16.1 15.6 6.0
91 -3 3 3 39.947 79.893 1.39308 26.9 7.2 6.9 6.0
92 -3 7 1 40.243 80.485 1.38455 4.4 1.2 1.1 6.0
93 2 3 3 40.612 81.224 1.37412 10.1 2.7 2.6 6.1
94 -5 1 3 40.929 81.858 1.36533 19.9 5.3 5.1 6.1
95 4 2 3 41.675 83.349 1.34525 123.9 33.0 31.6 6.1
96 -1 4 3 41.748 83.496 1.34333 44.4 11.8 11.3 6.1
97 8 3 1 41.94 83.881 1.3383 24.2 6.4 6.2 6.1
98 -3 4 3 42.766 85.532 1.31731 24.2 6.4 6.1 6.1
99 6 5 1 42.833 85.666 1.31564 7.1 1.9 1.8 6.1
100 -8 6 0 42.889 85.778 1.31426 11.4 3.0 2.9 6.1
101 5 6 0 42.979 85.957 1.31205 12.7 3.4 3.2 6.1
102 -8 4 2 44.035 88.069 1.28682 6.9 1.8 1.7 6.2
103 6 4 2 44.099 88.198 1.28533 5.9 1.6 1.5 6.2
104 -10 3 1 44.185 88.37 1.28334 11.5 3.1 2.9 6.2
105 -9 1 2 44.529 89.057 1.27549 4.8 1.3 1.2 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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