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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CLINOFERROSILITE
12, t-pigeonite, syn, at 0.0001 GPa, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-clinoenstatite
Fe(2)Si(2)O(6)
Monoclinic P 2(1)/c Z = 4
R =0.0595 NR =1458
16 .6 .17
Ref.Str.:
A. Pakhomova, L. Ismailova, E. Bykova, M. Bykov, T.B. Ballaran,
L. Dubrovinsky (2017) * Amer. Mineral., 102, 666-673
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.719 alpha = 90.0
b = 9.0907 beta = 108.44
c = 5.2393 gamma = 90.0
Unit cell volume (cub. angs.) = 439.12
Molar volume ( cub.cm/mol.) = 66.13
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2506 0.6535 0.2257 0.0 Fe = 1.00
2 0.2572 0.0142 0.2227 0.0 Fe = 1.00
3 0.0448 0.3388 0.2926 0.0 Si = 1.00
4 0.5538 0.8342 0.2394 0.0 Si = 1.00
5 0.8696 0.3399 0.1839 0.0 O = 1.00
6 0.3781 0.8361 0.1394 0.0 O = 1.00
7 0.1251 0.4947 0.3353 0.0 O = 1.00
8 0.6335 0.9795 0.3847 0.0 O = 1.00
9 0.1044 0.2683 0.5984 0.0 O = 1.00
10 0.6053 0.7011 0.4712 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2506 0.6535 0.2257
2 2 0.2572 0.0142 0.2227
3 3 0.0448 0.3388 0.2926
4 4 0.5538 0.8342 0.2394
5 5 0.8696 0.3399 0.1839
6 6 0.3781 0.8361 0.1394
7 7 0.1251 0.4947 0.3353
8 8 0.6335 0.9795 0.3847
9 9 0.1044 0.2683 0.5984
10 10 0.6053 0.7011 0.4712
11 1 0.7494 0.1535 0.2743
12 2 0.7428 0.5142 0.2773
13 3 0.9552 0.8388 0.2074
14 4 0.4462 0.3342 0.2606
15 5 0.1304 0.8399 0.3161
16 6 0.6219 0.3361 0.3606
17 7 0.8749 0.9947 0.1647
18 8 0.3665 0.4795 0.1153
19 9 0.8956 0.7683 0.9016
20 10 0.3947 0.2011 0.0288
21 1 0.2506 0.8465 0.7257
22 2 0.2572 0.4858 0.7227
23 3 0.0448 0.1612 0.7926
24 4 0.5538 0.6658 0.7394
25 5 0.8696 0.1601 0.6839
26 6 0.3781 0.6639 0.6394
27 7 0.1251 0.0053 0.8353
28 8 0.6335 0.5205 0.8847
29 9 0.1044 0.2317 0.0984
30 10 0.6053 0.7989 0.9712
31 1 0.7494 0.3465 0.7743
32 2 0.7428 0.9858 0.7773
33 3 0.9552 0.6612 0.7074
34 4 0.4462 0.1658 0.7606
35 5 0.1304 0.6601 0.8161
36 6 0.6219 0.1639 0.8606
37 7 0.8749 0.5053 0.6647
38 8 0.3665 0.0205 0.6153
39 9 0.8956 0.7317 0.4016
40 10 0.3947 0.2989 0.5288
X-ray density (g/cm cub.) = 3.99
MU (1/cm) = 194.259 Mass attenuation coefficient (cm**2/g) = 48.689
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.2019 6
2.0849 7
2.1934 5
2.1254 8
2.1313 6
2.0945 5
2 Fe 2.592 6
2.1252 6
2.1559 5
2.5622 10
2.0315 7
2.4348 9
1.9951 8
3 Si 2.1 4
1.6164 5
1.599 7
1.651 9
1.6406 9
4 Si 2.1 4
1.6202 6
1.5974 8
1.6747 10
1.6647 10
5 O 3.264 11
2.744 7
2.6858 9
2.8397 6
3.1408 7
3.0881 5
3.0881 5
2.8531 8
2.6508 9
2.94 6
2.9197 7
3.1227 7
6 O 3.264 11
2.7372 8
2.6407 10
2.8397 5
3.2443 8
3.0516 6
3.0516 6
2.9109 7
2.6447 10
2.94 5
3.0362 8
3.1883 8
7 O 3.264 10
2.744 5
2.5202 9
3.1408 5
2.927 8
2.9109 6
2.6724 9
2.9197 5
3.1227 5
3.1977 9
3.0635 10
8 O 3.264 10
2.7372 6
2.6013 10
3.2443 6
2.927 7
3.1904 10
2.8531 5
2.6624 10
3.0362 6
3.1883 6
3.2111 8
9 O 3.264 9
2.6858 5
2.5202 7
3.065 10
2.6508 5
2.6724 7
2.6407 9
2.6407 9
3.1977 7
2.9703 10
10 O 3.264 10
2.6407 6
2.6013 8
3.1904 8
3.065 9
2.6447 6
2.6624 8
2.7665 10
2.7665 10
3.0635 7
2.9703 9
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 5.567 11.135 0.054 209.52 2 4.0 3.4
2 1 1 0 7.942 15.885 0.077 101.8 4 42.2 375.3
3 2 0 0 11.188 22.376 0.108 50.23 2 98.8 508.9
4 0 2 0 11.349 22.698 0.11 48.75 2 5.5 1.6
5 1 1 -1 11.6 23.2 0.112 46.58 4 26.1 65.9
6 0 1 1 11.836 23.672 0.115 44.66 4 23.5 51.2
7 2 1 0 12.565 25.131 0.122 39.39 4 5.4 2.4
8 1 2 0 12.674 25.348 0.123 38.68 4 2.6 0.6
9 2 1 -1 13.889 27.778 0.134 31.87 4 3.9 1.0
10 1 1 1 14.481 28.962 0.14 29.16 4 0.9 0.0
11 1 2 -1 15.283 30.566 0.147 25.98 4 25.6 35.3
12 0 2 1 15.466 30.932 0.149 25.33 4 17.6 16.2
13 2 2 0 16.043 32.086 0.154 23.4 4 100.5 490.6
14 3 0 0 16.921 33.841 0.163 20.85 2 18.5 7.4
15 2 2 -1 17.121 34.242 0.165 20.32 4 172.6 1256.2
16 1 2 1 17.614 35.229 0.169 19.1 4 22.5 20.0
17 3 1 -1 17.818 35.636 0.171 18.63 4 81.6 257.3
18 3 1 0 17.892 35.785 0.172 18.46 4 135.3 700.6
19 1 3 0 18.102 36.204 0.174 17.99 4 14.6 8.0
20 2 1 1 18.607 37.215 0.178 16.94 4 11.6 4.7
21 1 0 -2 19.99 39.98 0.191 14.45 2 48.5 35.3
22 1 3 -1 20.08 40.161 0.192 14.31 4 158.8 748.3
23 0 3 1 20.225 40.451 0.193 14.08 4 21.7 13.7
24 3 2 -1 20.503 41.006 0.196 13.66 4 4.0 0.5
25 2 0 -2 20.532 41.063 0.196 13.62 2 23.3 7.7
26 3 2 0 20.569 41.138 0.196 13.56 4 12.5 4.4
27 2 3 0 20.686 41.371 0.197 13.39 4 15.2 6.4
28 1 1 -2 20.839 41.677 0.199 13.17 4 46.3 58.5
29 0 0 2 21.096 42.192 0.201 12.81 2 222.0 654.9
30 2 2 1 21.207 42.414 0.202 12.66 4 119.1 372.6
31 2 1 -2 21.362 42.725 0.204 12.46 4 3.0 0.2
32 2 3 -1 21.563 43.125 0.205 12.2 4 62.0 97.3
33 0 1 2 21.909 43.819 0.209 11.77 4 12.7 3.9
34 1 3 1 21.971 43.942 0.209 11.7 4 84.4 172.9
35 3 0 -2 22.623 45.247 0.215 10.95 2 26.8 8.1
36 4 1 -1 22.663 45.327 0.215 10.91 4 13.0 3.8
37 4 0 0 22.834 45.668 0.217 10.72 2 56.6 35.7
38 0 4 0 23.177 46.354 0.22 10.37 2 12.1 1.6
39 1 2 -2 23.232 46.464 0.22 10.31 4 6.1 0.8
40 3 1 -2 23.394 46.788 0.222 10.15 4 35.5 26.6
41 3 1 1 23.572 47.144 0.224 9.98 4 61.4 78.2
42 4 1 0 23.6 47.199 0.224 9.95 4 2.5 0.1
43 1 0 2 23.661 47.322 0.224 9.89 2 82.1 69.1
44 2 2 -2 23.713 47.426 0.225 9.84 4 30.8 19.4
45 1 4 0 23.913 47.826 0.227 9.66 4 4.3 0.4
46 0 2 2 24.218 48.437 0.229 9.38 4 35.4 24.5
47 1 1 2 24.407 48.813 0.231 9.22 4 78.8 118.8
48 3 3 -1 24.433 48.865 0.231 9.2 4 177.9 603.7
49 3 3 0 24.49 48.98 0.232 9.15 4 23.4 10.4
50 4 2 -1 24.918 49.836 0.236 8.8 4 91.0 151.1
51 2 3 1 25.049 50.098 0.237 8.69 4 18.4 6.1
52 1 4 -1 25.523 51.046 0.241 8.33 4 21.3 7.8
53 3 2 -2 25.6 51.2 0.242 8.27 4 42.2 30.6
54 0 4 1 25.643 51.286 0.242 8.24 4 44.6 33.9
55 3 2 1 25.766 51.533 0.243 8.15 4 3.5 0.2
56 4 2 0 25.792 51.584 0.243 8.13 4 45.4 34.8
57 4 0 -2 25.97 51.94 0.245 8.01 2 154.8 199.0
58 2 4 0 26.027 52.055 0.245 7.97 4 41.6 28.6
59 1 2 2 26.55 53.099 0.25 7.61 4 4.4 0.3
60 4 1 -2 26.668 53.336 0.251 7.54 4 41.7 27.1
61 2 4 -1 26.768 53.536 0.252 7.47 4 67.3 70.1
62 1 3 -2 26.85 53.701 0.252 7.42 4 5.2 0.4
63 1 4 1 27.116 54.232 0.255 7.26 4 24.1 8.7
64 2 3 -2 27.284 54.569 0.256 7.15 4 13.4 2.7
65 2 0 2 27.373 54.745 0.257 7.1 2 156.7 180.9
66 0 3 2 27.742 55.484 0.26 6.89 4 15.3 3.3
67 2 1 2 28.046 56.093 0.263 6.72 4 6.2 0.5
68 5 1 -1 28.119 56.238 0.263 6.68 4 1.7 0.0
69 4 3 -1 28.38 56.759 0.266 6.54 4 52.3 37.2
70 4 2 -2 28.691 57.382 0.268 6.38 4 8.0 0.8
71 3 3 -2 29.004 58.008 0.271 6.23 4 24.3 7.6
72 5 0 0 29.018 58.035 0.271 6.22 2 8.0 0.4
73 4 1 1 29.122 58.245 0.272 6.17 4 5.2 0.3
74 3 3 1 29.157 58.315 0.272 6.16 4 87.3 97.3
75 4 3 0 29.181 58.362 0.273 6.14 4 4.4 0.2
76 3 4 -1 29.257 58.513 0.273 6.11 4 24.3 7.5
77 3 4 0 29.308 58.615 0.274 6.08 4 2.2 0.1
78 5 1 0 29.667 59.334 0.277 5.92 4 20.4 5.1
79 2 4 1 29.803 59.606 0.278 5.86 4 63.8 49.5
80 1 3 2 29.88 59.76 0.278 5.83 4 25.2 7.7
81 2 2 2 30.008 60.016 0.28 5.77 4 87.9 92.4
82 5 2 -1 30.078 60.155 0.28 5.74 4 37.7 16.9
83 1 5 0 30.095 60.19 0.28 5.73 4 122.4 178.1
84 5 0 -2 30.288 60.577 0.282 5.65 2 43.2 11.0
85 5 1 -2 30.921 61.843 0.287 5.4 4 11.6 1.5
86 4 2 1 31.041 62.082 0.288 5.35 4 84.1 78.4
87 1 4 -2 31.42 62.841 0.291 5.21 4 19.3 4.0
88 2 1 -3 31.47 62.939 0.292 5.19 4 8.3 0.7
89 1 5 -1 31.486 62.971 0.292 5.19 4 42.6 19.5
90 5 2 0 31.566 63.131 0.293 5.16 4 22.0 5.2
91 0 5 1 31.591 63.181 0.293 5.15 4 38.1 15.5
92 1 1 -3 31.785 63.569 0.294 5.08 4 40.5 17.2
93 2 4 -2 31.814 63.629 0.295 5.07 4 43.0 19.5
94 4 3 -2 31.877 63.754 0.295 5.05 4 13.9 2.0
95 2 5 0 31.927 63.855 0.296 5.03 4 4.9 0.3
96 3 0 2 31.983 63.966 0.296 5.01 2 42.6 9.4
97 0 4 2 32.231 64.463 0.298 4.93 4 36.0 13.2
98 3 1 -3 32.358 64.716 0.299 4.89 4 42.2 18.0
99 2 5 -1 32.581 65.161 0.301 4.81 4 3.8 0.1
100 3 1 2 32.597 65.195 0.301 4.81 4 88.9 78.8
101 5 2 -2 32.778 65.556 0.303 4.75 4 38.9 14.9
102 4 4 -1 32.815 65.63 0.303 4.74 4 11.8 1.4
103 1 5 1 32.89 65.78 0.304 4.72 4 37.2 13.6
104 2 3 2 33.119 66.237 0.305 4.65 4 3.9 0.1
105 5 3 -1 33.185 66.369 0.306 4.63 4 191.6 352.6
106 0 1 3 33.284 66.568 0.307 4.6 4 33.8 10.9
107 2 2 -3 33.309 66.619 0.307 4.59 4 151.3 218.2
108 3 4 -2 33.39 66.78 0.308 4.57 4 12.4 1.5
109 3 4 1 33.531 67.063 0.309 4.53 4 22.3 4.7
110 4 4 0 33.553 67.107 0.309 4.52 4 28.6 7.7
111 1 2 -3 33.615 67.23 0.309 4.5 4 40.3 15.2
112 4 3 1 34.099 68.199 0.313 4.37 4 27.9 7.1
113 6 1 -1 34.118 68.237 0.314 4.37 4 31.1 8.8
114 3 2 -3 34.172 68.345 0.314 4.35 4 32.9 9.8
115 1 4 2 34.201 68.403 0.314 4.35 4 18.3 3.0
116 4 1 -3 34.4 68.8 0.316 4.29 4 35.4 11.1
117 3 2 2 34.405 68.811 0.316 4.29 4 20.9 3.9
118 5 3 0 34.599 69.198 0.317 4.24 4 4.0 0.1
119 3 5 -1 34.816 69.633 0.319 4.19 4 73.8 47.3
120 3 5 0 34.863 69.725 0.32 4.18 4 99.0 84.9
121 0 2 3 35.075 70.149 0.321 4.13 4 14.3 1.7
122 5 1 1 35.221 70.441 0.322 4.09 4 4.7 0.2
123 2 5 1 35.315 70.629 0.323 4.07 4 5.9 0.3
124 6 0 -2 35.415 70.829 0.324 4.05 2 150.5 95.2
125 6 0 0 35.598 71.196 0.325 4.01 2 157.9 103.6
126 5 3 -2 35.759 71.519 0.327 3.97 4 13.9 1.6
127 6 2 -1 35.89 71.779 0.328 3.94 4 51.0 21.2
128 1 1 3 35.894 71.788 0.328 3.94 4 3.6 0.1
129 6 1 -2 36.0 72.0 0.329 3.92 4 5.5 0.3
130 4 4 -2 36.07 72.141 0.329 3.9 4 9.0 0.7
131 4 2 -3 36.165 72.33 0.33 3.88 4 32.7 8.6
132 6 1 0 36.182 72.364 0.33 3.88 4 2.7 0.1
133 0 6 0 36.182 72.365 0.33 3.88 2 219.7 194.2
134 2 3 -3 36.27 72.54 0.331 3.86 4 116.4 108.6
135 1 3 -3 36.564 73.129 0.333 3.8 4 148.7 174.6
136 1 6 0 36.746 73.493 0.334 3.77 4 12.5 1.2
137 1 5 -2 36.804 73.608 0.335 3.76 4 70.3 38.5
138 5 2 1 36.969 73.937 0.336 3.73 4 8.1 0.5
139 3 3 -3 37.102 74.204 0.337 3.7 4 82.9 52.8
140 2 5 -2 37.17 74.34 0.338 3.69 4 2.4 0.0
141 2 4 2 37.245 74.489 0.338 3.67 4 36.1 9.9
142 5 4 -1 37.307 74.615 0.339 3.66 4 9.5 0.7
143 3 3 2 37.327 74.655 0.339 3.66 4 5.4 0.2
144 4 0 2 37.378 74.756 0.339 3.65 2 135.1 69.1
145 5 1 -3 37.51 75.019 0.34 3.63 4 28.9 6.3
146 0 5 2 37.559 75.117 0.341 3.62 4 66.8 33.5
147 1 2 3 37.629 75.259 0.341 3.61 4 32.5 7.9
148 6 2 -2 37.734 75.467 0.342 3.59 4 58.9 25.8
149 6 2 0 37.913 75.825 0.343 3.56 4 7.0 0.4
150 4 1 2 37.951 75.902 0.344 3.55 4 33.6 8.3
151 0 3 3 37.975 75.951 0.344 3.55 4 43.4 13.8
152 1 6 -1 38.014 76.028 0.344 3.54 4 1.7 0.0
153 4 5 -1 38.105 76.21 0.345 3.53 4 4.5 0.1
154 0 6 1 38.11 76.221 0.345 3.53 4 12.1 1.1
155 4 4 1 38.179 76.358 0.346 3.51 4 11.7 1.0
156 2 6 0 38.42 76.841 0.347 3.48 4 60.0 26.0
157 3 5 -2 38.645 77.291 0.349 3.44 4 91.0 59.1
158 5 4 0 38.657 77.315 0.349 3.44 4 29.4 6.2
159 6 3 -1 38.767 77.533 0.35 3.42 4 16.7 2.0
160 3 5 1 38.779 77.558 0.35 3.42 4 65.4 30.3
161 4 5 0 38.799 77.599 0.35 3.42 4 10.6 0.8
162 2 6 -1 39.024 78.049 0.352 3.39 4 7.3 0.4
163 4 3 -3 39.035 78.069 0.352 3.38 4 30.5 6.5
164 5 2 -3 39.22 78.439 0.353 3.36 4 56.2 22.0
165 1 6 1 39.312 78.623 0.354 3.35 4 17.7 2.2
166 1 5 2 39.412 78.824 0.355 3.33 4 74.9 38.8
167 2 1 3 39.53 79.06 0.356 3.32 4 4.0 0.1
168 4 2 2 39.655 79.31 0.357 3.3 4 19.7 2.7
169 5 4 -2 39.773 79.545 0.358 3.28 4 30.9 6.5
170 5 3 1 39.819 79.638 0.358 3.28 4 235.2 376.0
171 2 4 -3 40.266 80.532 0.361 3.22 4 86.0 49.5
172 1 3 3 40.465 80.93 0.363 3.2 4 126.3 105.8
173 1 4 -3 40.551 81.101 0.363 3.19 4 3.3 0.1
174 6 3 -2 40.567 81.134 0.364 3.19 4 12.7 1.1
175 7 1 -1 40.74 81.48 0.365 3.17 4 33.2 7.3
176 6 3 0 40.743 81.485 0.365 3.17 4 6.2 0.3
177 3 4 -3 41.072 82.145 0.367 3.13 4 0.1 0.0
178 3 6 -1 41.119 82.238 0.368 3.13 4 11.3 0.8
179 3 6 0 41.163 82.326 0.368 3.12 4 13.9 1.2
180 4 5 -2 41.195 82.39 0.368 3.12 4 21.1 2.9
181 2 2 3 41.216 82.433 0.368 3.12 4 58.0 21.8
182 3 4 2 41.291 82.582 0.369 3.11 4 14.5 1.4
183 7 0 -2 41.327 82.654 0.369 3.1 2 114.3 42.1
184 2 6 1 41.592 83.183 0.371 3.08 4 5.5 0.2
185 6 1 -3 41.62 83.239 0.371 3.07 4 24.8 3.9
186 7 1 -2 41.886 83.771 0.373 3.05 4 113.5 81.4
187 0 4 3 41.922 83.845 0.373 3.05 4 39.8 10.0
188 6 1 1 41.969 83.938 0.374 3.04 4 1.5 0.0
189 5 3 -3 42.027 84.054 0.374 3.04 4 107.2 72.4
190 2 5 2 42.327 84.655 0.376 3.01 4 13.9 1.2
191 5 5 -1 42.388 84.776 0.377 3.0 4 27.7 4.8
192 7 2 -1 42.416 84.833 0.377 3.0 4 1.6 0.0
193 4 3 2 42.456 84.913 0.377 3.0 4 5.5 0.2
194 6 4 -1 42.696 85.392 0.379 2.98 4 13.3 1.1
195 7 0 0 42.774 85.549 0.38 2.97 2 29.3 2.7
196 4 4 -3 42.959 85.918 0.381 2.96 4 3.0 0.1
197 1 6 -2 43.015 86.031 0.381 2.95 4 14.4 1.3
198 2 0 -4 43.135 86.27 0.382 2.94 2 19.5 1.2
199 4 5 1 43.234 86.469 0.383 2.94 4 20.2 2.5
200 6 2 -3 43.291 86.581 0.383 2.93 4 23.7 3.4
201 3 0 -4 43.299 86.599 0.383 2.93 2 119.9 43.7
202 7 1 0 43.33 86.661 0.384 2.93 4 71.7 31.2
203 2 6 -2 43.368 86.736 0.384 2.93 4 7.5 0.3
204 7 2 -2 43.555 87.11 0.385 2.91 4 2.5 0.0
205 5 0 2 43.586 87.173 0.385 2.91 2 9.7 0.3
206 6 2 1 43.638 87.276 0.386 2.91 4 57.6 20.0
207 2 1 -4 43.69 87.381 0.386 2.9 4 39.6 9.4
208 5 5 0 43.701 87.402 0.386 2.9 4 1.1 0.0
209 5 4 1 43.729 87.459 0.386 2.9 4 1.1 0.0
210 0 6 2 43.743 87.487 0.387 2.9 4 162.7 159.2
211 3 1 -4 43.855 87.71 0.387 2.89 4 48.4 14.1
212 2 3 3 44.001 88.001 0.388 2.88 4 40.1 9.6
213 1 0 -4 44.05 88.1 0.389 2.88 2 52.6 8.3
214 1 7 0 44.071 88.142 0.389 2.88 4 16.5 1.6
215 5 1 2 44.141 88.283 0.389 2.88 4 37.0 8.2
216 3 1 3 44.159 88.317 0.389 2.87 4 39.9 9.5
217 4 6 -1 44.273 88.546 0.39 2.87 4 6.3 0.2
218 1 4 3 44.367 88.733 0.391 2.86 4 16.1 1.5
219 6 4 -2 44.468 88.935 0.392 2.86 4 0.0 0.0
220 4 0 -4 44.543 89.087 0.392 2.85 2 139.8 57.8
221 1 1 -4 44.605 89.21 0.393 2.85 4 21.5 2.7
222 6 4 0 44.641 89.282 0.393 2.85 4 7.5 0.3
223 5 5 -2 44.794 89.588 0.394 2.84 4 29.1 5.0
224 3 6 -2 44.799 89.598 0.394 2.84 4 46.7 12.9
225 3 6 1 44.929 89.858 0.395 2.83 4 12.7 1.0
226 4 6 0 44.949 89.899 0.395 2.83 4 75.9 33.8
227 7 2 0 44.995 89.991 0.395 2.83 4 8.9 0.5
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 7.942 15.885 6.47323 375.3 29.9 30.3 5.6
2 2 0 0 11.188 22.376 4.60986 508.9 40.5 40.9 5.6
3 1 1 -1 11.6 23.2 4.44829 65.9 5.2 5.3 5.6
4 0 1 1 11.836 23.672 4.36093 51.2 4.1 4.1 5.6
5 1 2 -1 15.283 30.566 3.39346 35.3 2.8 2.8 5.6
6 0 2 1 15.466 30.932 3.35419 16.2 1.3 1.3 5.6
7 2 2 0 16.043 32.086 3.23661 490.6 39.1 39.1 5.6
8 2 2 -1 17.121 34.242 3.03837 1256.2 100.0 100.0 5.7
9 1 2 1 17.614 35.229 2.95582 20.0 1.6 1.6 5.7
10 3 1 -1 17.818 35.636 2.92311 257.3 20.5 20.5 5.7
11 3 1 0 17.892 35.785 2.91137 700.6 55.8 55.7 5.7
12 1 0 -2 19.99 39.98 2.61646 35.3 2.8 2.8 5.7
13 1 3 -1 20.08 40.161 2.60517 748.3 59.6 59.2 5.7
14 0 3 1 20.225 40.451 2.58728 13.7 1.1 1.1 5.7
15 1 1 -2 20.839 41.677 2.51439 58.5 4.7 4.6 5.7
16 0 0 2 21.096 42.192 2.48507 654.9 52.1 51.7 5.7
17 2 2 1 21.207 42.414 2.47264 372.6 29.7 29.4 5.7
18 2 3 -1 21.563 43.125 2.43378 97.3 7.7 7.7 5.7
19 1 3 1 21.971 43.942 2.39073 172.9 13.8 13.6 5.7
20 4 0 0 22.834 45.668 2.30493 35.7 2.8 2.8 5.7
21 3 1 -2 23.394 46.788 2.25274 26.6 2.1 2.1 5.7
22 3 1 1 23.572 47.144 2.23669 78.3 6.2 6.2 5.7
23 1 0 2 23.661 47.322 2.22878 69.1 5.5 5.4 5.7
24 2 2 -2 23.713 47.426 2.22414 19.4 1.5 1.5 5.7
25 0 2 2 24.218 48.437 2.18047 24.5 1.9 1.9 5.7
26 3 3 -1 24.433 48.865 2.16251 722.5 57.5 56.7 5.7
27 4 2 -1 24.918 49.836 2.12298 151.1 12.0 11.8 5.7
28 3 2 -2 25.6 51.2 2.07011 30.6 2.4 2.4 5.8
29 0 4 1 25.643 51.286 2.06684 33.9 2.7 2.7 5.8
30 4 2 0 25.792 51.584 2.05572 34.8 2.8 2.7 5.8
31 4 0 -2 25.97 51.94 2.0426 199.0 15.8 15.5 5.8
32 2 4 0 26.027 52.055 2.03842 28.6 2.3 2.2 5.8
33 4 1 -2 26.668 53.336 1.99291 27.1 2.2 2.1 5.8
34 2 4 -1 26.768 53.536 1.98603 70.1 5.6 5.5 5.8
35 2 0 2 27.373 54.745 1.94543 180.9 14.4 14.1 5.8
36 4 3 -1 28.38 56.759 1.88185 37.2 3.0 2.9 5.8
37 3 3 1 29.157 58.315 1.83589 97.5 7.8 7.6 5.8
38 2 4 1 29.803 59.606 1.79964 49.5 3.9 3.8 5.8
39 2 2 2 30.008 60.016 1.7885 92.4 7.4 7.1 5.8
40 1 5 0 30.095 60.19 1.78379 195.0 15.5 15.1 5.8
41 4 2 1 31.041 62.082 1.73461 78.4 6.2 6.0 5.8
42 1 5 -1 31.486 62.971 1.71259 19.5 1.6 1.5 5.9
43 0 5 1 31.591 63.181 1.70748 20.7 1.6 1.6 5.9
44 1 1 -3 31.785 63.569 1.69815 17.2 1.4 1.3 5.9
45 2 4 -2 31.814 63.629 1.69673 19.5 1.5 1.5 5.9
46 0 4 2 32.231 64.463 1.6771 13.2 1.1 1.0 5.9
47 3 1 -3 32.358 64.716 1.67124 18.0 1.4 1.4 5.9
48 3 1 2 32.597 65.195 1.66031 78.8 6.3 6.0 5.9
49 5 2 -2 32.778 65.556 1.65217 14.9 1.2 1.1 5.9
50 1 5 1 32.89 65.78 1.64718 13.6 1.1 1.0 5.9
51 5 3 -1 33.185 66.369 1.6342 352.6 28.1 27.0 5.9
52 2 2 -3 33.309 66.619 1.62878 229.1 18.2 17.5 5.9
53 1 2 -3 33.615 67.23 1.61569 15.2 1.2 1.2 5.9
54 6 1 -1 34.118 68.237 1.59467 15.8 1.3 1.2 5.9
55 3 2 -3 34.172 68.345 1.59246 12.8 1.0 1.0 5.9
56 4 1 -3 34.4 68.8 1.58321 15.0 1.2 1.1 5.9
57 3 5 -1 34.816 69.633 1.56662 47.3 3.8 3.6 5.9
58 3 5 0 34.863 69.725 1.56481 84.9 6.8 6.5 5.9
59 6 0 -2 35.415 70.829 1.54353 95.2 7.6 7.2 5.9
60 6 0 0 35.598 71.196 1.53662 103.6 8.2 7.9 5.9
61 6 2 -1 35.89 71.779 1.5258 21.3 1.7 1.6 5.9
62 0 6 0 36.182 72.365 1.51512 202.9 16.2 15.4 5.9
63 2 3 -3 36.27 72.54 1.51195 108.6 8.6 8.2 5.9
64 1 3 -3 36.564 73.129 1.50146 174.6 13.9 13.2 6.0
65 1 5 -2 36.804 73.608 1.49306 38.5 3.1 2.9 6.0
66 3 3 -3 37.102 74.204 1.48276 52.8 4.2 4.0 6.0
67 4 0 2 37.378 74.756 1.47341 69.1 5.5 5.2 6.0
68 0 5 2 37.559 75.117 1.46735 33.5 2.7 2.5 6.0
69 6 2 -2 37.734 75.467 1.46156 25.8 2.1 1.9 6.0
70 0 3 3 37.975 75.951 1.45364 22.2 1.8 1.7 6.0
71 2 6 0 38.42 76.841 1.43937 26.0 2.1 1.9 6.0
72 3 5 -2 38.645 77.291 1.43228 65.3 5.2 4.9 6.0
73 3 5 1 38.779 77.558 1.42813 32.3 2.6 2.4 6.0
74 5 2 -3 39.22 78.439 1.41463 22.0 1.8 1.6 6.0
75 1 5 2 39.412 78.824 1.40884 38.8 3.1 2.9 6.0
76 5 3 1 39.819 79.638 1.39681 376.0 29.9 28.0 6.0
77 2 4 -3 40.266 80.532 1.3839 49.5 3.9 3.7 6.1
78 1 3 3 40.465 80.93 1.37825 105.8 8.4 7.9 6.1
79 2 2 3 41.216 82.433 1.3575 24.6 2.0 1.8 6.1
80 7 0 -2 41.327 82.654 1.35451 42.1 3.3 3.1 6.1
81 7 1 -2 41.886 83.771 1.33972 81.4 6.5 6.0 6.1
82 5 3 -3 42.027 84.054 1.33606 72.4 5.8 5.3 6.1
83 3 0 -4 43.299 86.599 1.30424 47.1 3.7 3.5 6.1
84 7 1 0 43.33 86.661 1.30349 31.2 2.5 2.3 6.1
85 6 2 1 43.638 87.276 1.29613 20.0 1.6 1.5 6.2
86 0 6 2 43.743 87.487 1.29364 159.2 12.7 11.6 6.2
87 3 1 -4 43.855 87.71 1.29102 14.1 1.1 1.0 6.2
88 3 1 3 44.159 88.317 1.28395 17.7 1.4 1.3 6.2
89 4 0 -4 44.543 89.087 1.27516 57.8 4.6 4.2 6.2
90 3 6 -2 44.799 89.598 1.26942 17.9 1.4 1.3 6.2
91 4 6 0 44.949 89.899 1.26608 33.8 2.7 2.5 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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