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
4, t-pigeonite, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-clinoenstatite
Fe(2)Si(2)O(6)
Monoclinic P 2(1)/c Z = 4
P2(1)/c
23 .4 .1992
Ref.Str.:
1. Smyth J.R., Bish D.L. (1988)
* Crystal structures and cation sites of the rock-forming
minerals. Boston.
2. Burnham C.W. (1967)
* Carnegia Institution of Washington Yearbook, 65, 285-290
3. R.J.Angel, T.Gasparik, L.W.Finger (1989)
* Amer. Mineral., 74, 599-603
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.7085 alpha = 90.0
b = 9.0872 beta = 108.43
c = 5.2284 gamma = 90.0
Unit cell volume (cub. angs.) = 437.61
Molar volume ( cub.cm/mol.) = 65.9
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2508 0.6533 0.2255 0.58 Fe = 1.00
2 0.257 0.0142 0.2233 0.58 Fe = 1.00
3 0.0447 0.3386 0.2924 0.55 Si = 1.00
4 0.5538 0.8339 0.2393 0.47 Si = 1.00
5 0.8694 0.3347 0.1748 0.73 O = 1.00
6 0.1226 0.4984 0.3269 0.55 O = 1.00
7 0.1092 0.2753 0.6055 0.57 O = 1.00
8 0.3726 0.8399 0.1336 0.48 O = 1.00
9 0.6321 0.9871 0.382 0.72 O = 1.00
10 0.6021 0.7066 0.4834 0.61 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2508 0.6533 0.2255
2 2 0.257 0.0142 0.2233
3 3 0.0447 0.3386 0.2924
4 4 0.5538 0.8339 0.2393
5 5 0.8694 0.3347 0.1748
6 6 0.1226 0.4984 0.3269
7 7 0.1092 0.2753 0.6055
8 8 0.3726 0.8399 0.1336
9 9 0.6321 0.9871 0.382
10 10 0.6021 0.7066 0.4834
11 1 0.7492 0.1533 0.2745
12 2 0.743 0.5142 0.2767
13 3 0.9553 0.8386 0.2076
14 4 0.4462 0.3339 0.2607
15 5 0.1306 0.8347 0.3252
16 6 0.8774 0.9984 0.1731
17 7 0.8908 0.7753 0.8945
18 8 0.6274 0.3399 0.3664
19 9 0.3679 0.4871 0.118
20 10 0.3979 0.2066 0.0166
21 1 0.2508 0.8467 0.7255
22 2 0.257 0.4858 0.7233
23 3 0.0447 0.1614 0.7924
24 4 0.5538 0.6661 0.7393
25 5 0.8694 0.1653 0.6748
26 6 0.1226 0.0016 0.8269
27 7 0.1092 0.2247 0.1055
28 8 0.3726 0.6601 0.6336
29 9 0.6321 0.5129 0.882
30 10 0.6021 0.7934 0.9834
31 1 0.7492 0.3467 0.7745
32 2 0.743 0.9858 0.7767
33 3 0.9553 0.6614 0.7076
34 4 0.4462 0.1661 0.7607
35 5 0.1306 0.6653 0.8252
36 6 0.8774 0.5016 0.6731
37 7 0.8908 0.7247 0.3945
38 8 0.6274 0.1601 0.8664
39 9 0.3679 0.0129 0.618
40 10 0.3979 0.2934 0.5166
X-ray density (g/cm cub.) = 4.0
MU (1/cm) = 194.933 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
2.0564 6
2.2054 8
2.1761 5
2.072 9
2.0879 8
2.0518 5
2 Fe 2.592 5
2.0787 8
2.2054 5
2.0739 6
2.3534 7
2.0033 9
3 Si 2.1 4
1.6168 5
1.6208 6
1.6597 7
1.6749 7
4 Si 2.1 4
1.6698 8
1.6474 9
1.6759 10
1.5944 10
5 O 3.264 11
2.7662 6
2.7327 7
3.0571 6
2.8309 8
3.0338 5
3.0338 5
2.6616 7
2.8361 9
2.9943 6
3.0522 6
2.8709 8
6 O 3.264 10
2.7662 5
2.5236 7
3.0571 5
2.9188 9
2.729 7
2.8567 8
2.9943 5
3.0522 5
3.1498 7
3.1498 10
7 O 3.264 9
2.7327 5
2.5236 6
3.0094 10
2.6616 5
2.729 6
2.6543 7
2.6543 7
3.1498 6
2.9871 10
8 O 3.264 11
2.7847 9
2.6833 10
2.8309 5
3.207 9
2.8567 6
3.0828 8
3.0828 8
2.6203 10
2.8709 5
2.9935 9
3.1085 9
9 O 3.264 10
2.7847 8
2.6383 10
2.9188 6
3.207 8
3.1704 10
2.8361 5
2.6726 10
2.9935 8
3.1085 8
3.1871 9
10 O 3.264 10
2.6833 8
2.6383 9
3.0094 7
3.1704 9
2.6203 8
2.6726 9
2.7306 10
2.7306 10
3.1498 6
2.9871 7
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 5.573 11.146 0.054 209.1 2 4.0 3.5
2 1 1 0 7.948 15.896 0.077 101.66 4 43.9 409.5
3 2 0 0 11.199 22.399 0.109 50.12 2 99.3 516.1
4 0 2 0 11.353 22.707 0.11 48.72 2 5.8 1.7
5 1 1 -1 11.619 23.238 0.113 46.42 4 25.0 60.5
6 0 1 1 11.855 23.711 0.115 44.5 4 22.3 46.2
7 2 1 0 12.576 25.153 0.122 39.32 4 5.1 2.1
8 1 2 0 12.68 25.361 0.123 38.64 4 2.6 0.6
9 2 1 -1 13.909 27.818 0.134 31.77 4 3.5 0.8
10 1 1 1 14.502 29.005 0.14 29.07 4 0.4 0.0
11 1 2 -1 15.3 30.6 0.148 25.92 4 23.6 30.2
12 0 2 1 15.484 30.968 0.149 25.26 4 13.0 8.9
13 2 2 0 16.054 32.108 0.155 23.37 4 97.1 459.8
14 3 0 0 16.938 33.876 0.163 20.81 2 17.0 6.3
15 2 2 -1 17.14 34.279 0.165 20.28 4 171.5 1246.2
16 1 2 1 17.635 35.269 0.169 19.05 4 24.7 24.4
17 3 1 -1 17.841 35.682 0.171 18.58 4 81.4 256.9
18 3 1 0 17.91 35.819 0.172 18.42 4 133.1 681.6
19 1 3 0 18.111 36.221 0.174 17.97 4 18.6 12.9
20 2 1 1 18.632 37.264 0.179 16.89 4 10.9 4.2
21 1 0 -2 20.034 40.067 0.191 14.38 2 43.0 27.7
22 1 3 -1 20.097 40.195 0.192 14.28 4 153.0 698.2
23 0 3 1 20.243 40.486 0.193 14.05 4 22.8 15.3
24 3 2 -1 20.525 41.05 0.196 13.63 4 8.0 1.8
25 2 0 -2 20.575 41.15 0.196 13.55 2 26.5 9.9
26 3 2 0 20.586 41.172 0.197 13.54 4 15.5 6.8
27 2 3 0 20.698 41.396 0.198 13.37 4 7.1 1.4
28 1 1 -2 20.881 41.763 0.199 13.11 4 38.3 40.2
29 0 0 2 21.14 42.28 0.202 12.76 2 217.1 628.0
30 2 2 1 21.231 42.463 0.202 12.63 4 113.9 342.1
31 2 1 -2 21.405 42.809 0.204 12.4 4 5.0 0.6
32 2 3 -1 21.581 43.163 0.206 12.18 4 62.8 100.4
33 0 1 2 21.953 43.906 0.209 11.72 4 14.2 4.9
34 1 3 1 21.991 43.982 0.209 11.67 4 82.9 167.8
35 3 0 -2 22.667 45.334 0.215 10.9 2 31.0 10.9
36 4 1 -1 22.691 45.382 0.216 10.88 4 13.2 4.0
37 4 0 0 22.858 45.716 0.217 10.7 2 55.2 34.0
38 0 4 0 23.186 46.373 0.22 10.36 2 14.7 2.3
39 1 2 -2 23.273 46.545 0.221 10.27 4 11.1 2.6
40 3 1 -2 23.437 46.874 0.222 10.11 4 30.3 19.4
41 3 1 1 23.602 47.203 0.224 9.95 4 63.5 83.9
42 4 1 0 23.624 47.247 0.224 9.93 4 4.2 0.4
43 1 0 2 23.707 47.413 0.225 9.85 2 81.7 68.7
44 2 2 -2 23.754 47.508 0.225 9.81 4 29.1 17.3
45 1 4 0 23.924 47.848 0.227 9.65 4 2.1 0.1
46 0 2 2 24.26 48.521 0.23 9.35 4 37.4 27.3
47 1 1 2 24.452 48.903 0.231 9.18 4 77.3 114.6
48 3 3 -1 24.455 48.909 0.231 9.18 4 171.0 560.9
49 3 3 0 24.508 49.016 0.232 9.13 4 24.8 11.8
50 4 2 -1 24.945 49.89 0.236 8.77 4 86.2 136.1
51 2 3 1 25.073 50.146 0.237 8.67 4 14.1 3.6
52 1 4 -1 25.541 51.082 0.241 8.31 4 19.5 6.6
53 3 2 -2 25.642 51.283 0.242 8.24 4 34.6 20.6
54 0 4 1 25.661 51.323 0.242 8.23 4 46.7 37.4
55 3 2 1 25.796 51.591 0.243 8.13 4 2.2 0.1
56 4 2 0 25.816 51.632 0.243 8.11 4 44.4 33.4
57 4 0 -2 26.015 52.031 0.245 7.97 2 148.8 184.5
58 2 4 0 26.042 52.083 0.245 7.96 4 38.8 25.0
59 1 2 2 26.594 53.187 0.25 7.58 4 5.0 0.4
60 4 1 -2 26.713 53.426 0.251 7.51 4 37.9 22.5
61 2 4 -1 26.787 53.575 0.252 7.46 4 71.2 79.1
62 1 3 -2 26.89 53.78 0.253 7.4 4 2.3 0.1
63 1 4 1 27.137 54.273 0.255 7.24 4 24.9 9.4
64 2 3 -2 27.324 54.648 0.257 7.13 4 13.6 2.7
65 2 0 2 27.421 54.842 0.257 7.07 2 147.5 160.7
66 0 3 2 27.783 55.565 0.261 6.87 4 16.9 4.1
67 2 1 2 28.094 56.189 0.263 6.69 4 3.8 0.2
68 5 1 -1 28.152 56.305 0.264 6.66 4 4.1 0.2
69 4 3 -1 28.407 56.814 0.266 6.53 4 47.4 30.6
70 4 2 -2 28.735 57.471 0.269 6.36 4 7.6 0.8
71 3 3 -2 29.045 58.09 0.271 6.21 4 22.9 6.8
72 5 0 0 29.049 58.099 0.271 6.21 2 8.9 0.5
73 4 1 1 29.158 58.317 0.272 6.15 4 5.2 0.3
74 3 3 1 29.187 58.374 0.273 6.14 4 84.4 91.4
75 4 3 0 29.206 58.411 0.273 6.13 4 6.5 0.5
76 3 4 -1 29.28 58.56 0.273 6.1 4 26.8 9.1
77 3 4 0 29.327 58.654 0.274 6.08 4 0.5 0.0
78 5 1 0 29.699 59.397 0.277 5.91 4 22.0 6.0
79 2 4 1 29.828 59.656 0.278 5.85 4 53.4 34.8
80 1 3 2 29.923 59.847 0.279 5.81 4 22.6 6.2
81 2 2 2 30.055 60.111 0.28 5.75 4 84.7 86.3
82 1 5 0 30.109 60.218 0.28 5.73 4 113.7 154.7
83 5 2 -1 30.111 60.222 0.28 5.73 4 38.1 17.3
84 5 0 -2 30.337 60.674 0.282 5.63 2 40.6 9.7
85 5 1 -2 30.97 61.94 0.288 5.38 4 14.4 2.3
86 4 2 1 31.077 62.155 0.289 5.34 4 76.0 64.4
87 1 4 -2 31.459 62.919 0.292 5.2 4 11.6 1.5
88 1 5 -1 31.506 63.011 0.292 5.18 4 42.4 19.5
89 2 1 -3 31.54 63.081 0.292 5.17 4 11.2 1.4
90 5 2 0 31.598 63.195 0.293 5.15 4 20.5 4.5
91 0 5 1 31.611 63.222 0.293 5.14 4 33.9 12.3
92 2 4 -2 31.854 63.707 0.295 5.06 4 40.7 17.5
93 1 1 -3 31.856 63.712 0.295 5.06 4 36.3 14.0
94 4 3 -2 31.921 63.842 0.296 5.03 4 12.9 1.7
95 2 5 0 31.944 63.888 0.296 5.03 4 0.4 0.0
96 3 0 2 32.036 64.072 0.297 4.99 2 43.0 9.6
97 0 4 2 32.272 64.544 0.298 4.91 4 30.5 9.6
98 3 1 -3 32.429 64.858 0.3 4.86 4 42.8 18.6
99 2 5 -1 32.602 65.205 0.301 4.81 4 4.5 0.2
100 3 1 2 32.65 65.301 0.302 4.79 4 91.3 83.5
101 5 2 -2 32.826 65.653 0.303 4.74 4 34.3 11.6
102 4 4 -1 32.843 65.687 0.303 4.73 4 14.9 2.2
103 1 5 1 32.912 65.825 0.304 4.71 4 33.8 11.2
104 2 3 2 33.166 66.332 0.306 4.63 4 0.4 0.0
105 5 3 -1 33.219 66.437 0.306 4.62 4 185.0 330.3
106 0 1 3 33.357 66.715 0.307 4.58 4 31.3 9.4
107 2 2 -3 33.379 66.759 0.308 4.57 4 142.3 193.4
108 3 4 -2 33.431 66.862 0.308 4.56 4 13.6 1.8
109 3 4 1 33.562 67.124 0.309 4.52 4 21.0 4.2
110 4 4 0 33.579 67.159 0.309 4.51 4 29.7 8.3
111 1 2 -3 33.686 67.372 0.31 4.49 4 39.7 14.8
112 4 3 1 34.136 68.272 0.314 4.36 4 30.1 8.2
113 6 1 -1 34.159 68.319 0.314 4.36 4 27.3 6.8
114 3 2 -3 34.243 68.486 0.315 4.33 4 30.1 8.2
115 1 4 2 34.245 68.489 0.315 4.33 4 20.5 3.8
116 3 2 2 34.458 68.917 0.316 4.28 4 15.6 2.2
117 4 1 -3 34.472 68.945 0.316 4.27 4 30.8 8.5
118 5 3 0 34.632 69.264 0.318 4.23 4 6.7 0.4
119 3 5 -1 34.841 69.683 0.319 4.18 4 73.6 47.3
120 3 5 0 34.884 69.768 0.32 4.17 4 97.4 82.6
121 0 2 3 35.148 70.295 0.322 4.11 4 16.6 2.4
122 5 1 1 35.265 70.53 0.323 4.08 4 4.3 0.2
123 2 5 1 35.341 70.683 0.323 4.06 4 0.6 0.0
124 6 0 -2 35.469 70.938 0.324 4.04 2 138.9 81.3
125 6 0 0 35.639 71.278 0.326 4.0 2 146.7 89.9
126 5 3 -2 35.808 71.616 0.327 3.96 4 11.3 1.0
127 6 2 -1 35.931 71.862 0.328 3.93 4 47.3 18.4
128 1 1 3 35.97 71.94 0.328 3.93 4 1.0 0.0
129 6 1 -2 36.055 72.109 0.329 3.91 4 6.0 0.3
130 4 4 -2 36.115 72.23 0.329 3.9 4 8.0 0.5
131 0 6 0 36.199 72.397 0.33 3.88 2 208.6 176.2
132 6 1 0 36.223 72.446 0.33 3.87 4 0.2 0.0
133 4 2 -3 36.237 72.474 0.33 3.87 4 28.1 6.4
134 2 3 -3 36.34 72.68 0.331 3.85 4 104.8 88.4
135 1 3 -3 36.635 73.27 0.334 3.79 4 139.1 153.3
136 1 6 0 36.764 73.527 0.335 3.76 4 8.0 0.5
137 1 5 -2 36.844 73.689 0.335 3.75 4 64.1 32.2
138 5 2 1 37.013 74.027 0.337 3.72 4 7.1 0.4
139 3 3 -3 37.173 74.345 0.338 3.69 4 78.8 47.9
140 2 5 -2 37.211 74.421 0.338 3.68 4 2.0 0.0
141 2 4 2 37.293 74.586 0.339 3.67 4 33.7 8.7
142 5 4 -1 37.343 74.686 0.339 3.66 4 11.3 1.0
143 3 3 2 37.381 74.761 0.339 3.65 4 6.6 0.3
144 4 0 2 37.438 74.876 0.34 3.64 2 126.7 61.0
145 5 1 -3 37.585 75.17 0.341 3.61 4 24.6 4.6
146 0 5 2 37.6 75.201 0.341 3.61 4 60.7 27.8
147 1 2 3 37.706 75.411 0.342 3.59 4 30.5 7.0
148 6 2 -2 37.789 75.577 0.343 3.58 4 58.4 25.5
149 6 2 0 37.954 75.908 0.344 3.55 4 10.7 0.9
150 4 1 2 38.011 76.023 0.344 3.54 4 32.4 7.8
151 1 6 -1 38.037 76.074 0.344 3.54 4 3.1 0.1
152 0 3 3 38.048 76.096 0.345 3.54 4 39.2 11.3
153 0 6 1 38.134 76.268 0.345 3.52 4 13.9 1.4
154 4 5 -1 38.136 76.271 0.345 3.52 4 6.4 0.3
155 4 4 1 38.217 76.434 0.346 3.51 4 10.0 0.7
156 2 6 0 38.441 76.881 0.348 3.47 4 55.3 22.2
157 3 5 -2 38.688 77.376 0.349 3.44 4 89.5 57.4
158 5 4 0 38.692 77.384 0.349 3.43 4 24.3 4.2
159 6 3 -1 38.809 77.618 0.35 3.42 4 15.3 1.7
160 3 5 1 38.811 77.623 0.35 3.42 4 61.5 27.0
161 4 5 0 38.828 77.656 0.35 3.41 4 8.1 0.5
162 2 6 -1 39.049 78.099 0.352 3.38 4 8.6 0.5
163 4 3 -3 39.107 78.215 0.353 3.37 4 29.9 6.3
164 5 2 -3 39.295 78.591 0.354 3.35 4 51.6 18.6
165 1 6 1 39.337 78.675 0.354 3.34 4 19.7 2.7
166 1 5 2 39.457 78.914 0.355 3.33 4 66.7 30.9
167 2 1 3 39.611 79.223 0.356 3.3 4 7.3 0.4
168 4 2 2 39.716 79.432 0.357 3.29 4 15.3 1.6
169 5 4 -2 39.823 79.646 0.358 3.28 4 32.0 7.0
170 5 3 1 39.865 79.729 0.358 3.27 4 217.9 324.5
171 2 4 -3 40.336 80.673 0.362 3.21 4 83.8 47.2
172 1 3 3 40.542 81.084 0.363 3.19 4 118.3 93.2
173 1 4 -3 40.622 81.244 0.364 3.18 4 8.8 0.5
174 6 3 -2 40.623 81.246 0.364 3.18 4 9.4 0.6
175 6 3 0 40.785 81.571 0.365 3.16 4 4.0 0.1
176 7 1 -1 40.791 81.583 0.365 3.16 4 30.5 6.1
177 3 4 -3 41.144 82.288 0.368 3.12 4 1.1 0.0
178 3 6 -1 41.148 82.295 0.368 3.12 4 12.9 1.1
179 3 6 0 41.188 82.376 0.368 3.12 4 13.5 1.2
180 4 5 -2 41.242 82.484 0.369 3.11 4 23.2 3.5
181 2 2 3 41.298 82.596 0.369 3.11 4 55.0 19.7
182 3 4 2 41.346 82.692 0.369 3.1 4 10.3 0.7
183 7 0 -2 41.39 82.78 0.37 3.1 2 99.0 31.7
184 2 6 1 41.622 83.244 0.371 3.07 4 2.6 0.0
185 6 1 -3 41.701 83.402 0.372 3.07 4 18.2 2.1
186 7 1 -2 41.949 83.898 0.374 3.04 4 108.5 74.8
187 0 4 3 41.996 83.993 0.374 3.04 4 32.5 6.7
188 6 1 1 42.024 84.048 0.374 3.04 4 1.4 0.0
189 5 3 -3 42.104 84.207 0.375 3.03 4 99.2 62.2
190 2 5 2 42.378 84.756 0.377 3.0 4 15.1 1.4
191 5 5 -1 42.426 84.853 0.377 3.0 4 22.1 3.1
192 7 2 -1 42.468 84.937 0.377 3.0 4 4.5 0.1
193 4 3 2 42.518 85.037 0.378 2.99 4 8.9 0.5
194 6 4 -1 42.741 85.482 0.379 2.97 4 8.1 0.4
195 7 0 0 42.827 85.654 0.38 2.97 2 28.5 2.5
196 4 4 -3 43.033 86.066 0.381 2.95 4 2.3 0.0
197 1 6 -2 43.059 86.118 0.382 2.95 4 16.8 1.7
198 2 0 -4 43.247 86.494 0.383 2.94 2 15.2 0.7
199 4 5 1 43.275 86.551 0.383 2.93 4 16.8 1.7
200 6 2 -3 43.373 86.745 0.384 2.93 4 22.5 3.1
201 7 1 0 43.383 86.767 0.384 2.93 4 64.9 25.8
202 3 0 -4 43.411 86.823 0.384 2.92 2 107.3 35.2
203 2 6 -2 43.412 86.823 0.384 2.92 4 7.2 0.3
204 7 2 -2 43.62 87.239 0.386 2.91 4 1.5 0.0
205 5 0 2 43.657 87.314 0.386 2.91 2 14.4 0.6
206 6 2 1 43.694 87.388 0.386 2.9 4 55.5 18.7
207 5 5 0 43.738 87.477 0.386 2.9 4 1.9 0.0
208 5 4 1 43.777 87.555 0.387 2.9 4 1.4 0.0
209 0 6 2 43.788 87.577 0.387 2.9 4 149.9 136.0
210 2 1 -4 43.803 87.606 0.387 2.9 4 36.4 8.0
211 3 1 -4 43.967 87.934 0.388 2.89 4 49.3 14.7
212 2 3 3 44.084 88.168 0.389 2.88 4 37.5 8.4
213 1 7 0 44.093 88.186 0.389 2.88 4 12.0 0.9
214 1 0 -4 44.164 88.329 0.389 2.87 2 52.5 8.3
215 5 1 2 44.212 88.425 0.39 2.87 4 33.9 6.9
216 3 1 3 44.248 88.496 0.39 2.87 4 39.0 9.1
217 4 6 -1 44.307 88.615 0.39 2.87 4 2.8 0.0
218 1 4 3 44.446 88.891 0.391 2.86 4 13.9 1.2
219 6 4 -2 44.526 89.052 0.392 2.85 4 0.7 0.0
220 4 0 -4 44.657 89.314 0.393 2.85 2 129.2 49.6
221 6 4 0 44.686 89.373 0.393 2.84 4 8.7 0.5
222 1 1 -4 44.72 89.439 0.393 2.84 4 18.5 2.0
223 3 6 -2 44.845 89.691 0.394 2.84 4 42.4 10.6
224 5 5 -2 44.847 89.694 0.394 2.84 4 27.4 4.5
225 3 6 1 44.966 89.932 0.395 2.83 4 16.8 1.7
226 4 6 0 44.982 89.964 0.395 2.83 4 68.0 27.3
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 7.948 15.896 6.46879 409.5 32.9 33.3 5.6
2 2 0 0 11.199 22.399 4.60528 516.1 41.4 41.8 5.6
3 1 1 -1 11.619 23.238 4.44108 60.5 4.9 4.9 5.6
4 0 1 1 11.855 23.711 4.35385 46.2 3.7 3.7 5.6
5 1 2 -1 15.3 30.6 3.38971 30.2 2.4 2.4 5.6
6 2 2 0 16.054 32.108 3.2344 459.8 36.9 37.0 5.6
7 2 2 -1 17.14 34.279 3.03512 1246.2 100.0 100.0 5.7
8 1 2 1 17.635 35.269 2.95255 24.4 2.0 2.0 5.7
9 3 1 -1 17.841 35.682 2.91949 256.9 20.6 20.6 5.7
10 3 1 0 17.91 35.819 2.90866 681.6 54.7 54.6 5.7
11 1 3 0 18.111 36.221 2.87746 12.9 1.0 1.0 5.7
12 1 0 -2 20.034 40.067 2.61102 27.7 2.2 2.2 5.7
13 1 3 -1 20.097 40.195 2.60307 698.2 56.0 55.7 5.7
14 0 3 1 20.243 40.486 2.58516 15.3 1.2 1.2 5.7
15 2 0 -2 20.575 41.15 2.5452 16.7 1.3 1.3 5.7
16 1 1 -2 20.881 41.763 2.50948 40.2 3.2 3.2 5.7
17 0 0 2 21.14 42.28 2.48012 628.0 50.4 50.0 5.7
18 2 2 1 21.231 42.463 2.46997 342.1 27.4 27.2 5.7
19 2 3 -1 21.581 43.163 2.43177 100.4 8.1 8.0 5.7
20 1 3 1 21.991 43.982 2.38868 167.8 13.5 13.3 5.7
21 3 0 -2 22.667 45.334 2.32103 14.9 1.2 1.2 5.7
22 4 0 0 22.858 45.716 2.30264 34.0 2.7 2.7 5.7
23 3 1 -2 23.437 46.874 2.24883 19.4 1.6 1.5 5.7
24 3 1 1 23.602 47.203 2.23405 84.2 6.8 6.7 5.7
25 1 0 2 23.707 47.413 2.22474 68.7 5.5 5.4 5.7
26 2 2 -2 23.754 47.508 2.22054 17.3 1.4 1.4 5.7
27 0 2 2 24.26 48.521 2.17692 27.3 2.2 2.2 5.7
28 3 3 -1 24.455 48.909 2.16067 675.5 54.2 53.4 5.7
29 4 2 -1 24.945 49.89 2.12082 136.1 10.9 10.7 5.7
30 0 4 1 25.661 51.323 2.06547 58.1 4.7 4.6 5.8
31 4 2 0 25.816 51.632 2.05394 33.4 2.7 2.6 5.8
32 4 0 -2 26.015 52.031 2.03929 209.5 16.8 16.5 5.8
33 4 1 -2 26.713 53.426 1.9898 22.5 1.8 1.8 5.8
34 2 4 -1 26.787 53.575 1.98469 79.1 6.3 6.2 5.8
35 2 0 2 27.421 54.842 1.94226 160.7 12.9 12.6 5.8
36 4 3 -1 28.407 56.814 1.88019 30.6 2.5 2.4 5.8
37 3 3 1 29.187 58.374 1.8342 91.9 7.4 7.2 5.8
38 2 4 1 29.828 59.656 1.79828 34.8 2.8 2.7 5.8
39 2 2 2 30.055 60.111 1.78593 86.3 6.9 6.7 5.8
40 1 5 0 30.109 60.218 1.78306 172.0 13.8 13.4 5.8
41 4 2 1 31.077 62.155 1.7328 64.4 5.2 5.0 5.8
42 1 5 -1 31.506 63.011 1.71162 19.5 1.6 1.5 5.9
43 0 5 1 31.611 63.222 1.7065 16.8 1.4 1.3 5.9
44 2 4 -2 31.854 63.707 1.69485 31.5 2.5 2.4 5.9
45 3 1 -3 32.429 64.858 1.66797 18.6 1.5 1.4 5.9
46 3 1 2 32.65 65.301 1.65791 83.5 6.7 6.5 5.9
47 5 2 -2 32.826 65.653 1.65 13.8 1.1 1.1 5.9
48 5 3 -1 33.219 66.437 1.63272 330.3 26.5 25.5 5.9
49 2 2 -3 33.379 66.759 1.62576 202.8 16.3 15.6 5.9
50 4 4 0 33.579 67.159 1.6172 12.5 1.0 1.0 5.9
51 1 2 -3 33.686 67.372 1.61269 14.8 1.2 1.1 5.9
52 4 3 1 34.136 68.272 1.59395 15.0 1.2 1.2 5.9
53 3 5 -1 34.841 69.683 1.56564 47.3 3.8 3.6 5.9
54 3 5 0 34.884 69.768 1.56396 82.6 6.6 6.3 5.9
55 6 0 -2 35.469 70.938 1.54147 81.3 6.5 6.2 5.9
56 6 0 0 35.639 71.278 1.53509 89.9 7.2 6.9 5.9
57 6 2 -1 35.931 71.862 1.52427 18.4 1.5 1.4 5.9
58 0 6 0 36.199 72.397 1.51453 176.2 14.1 13.4 5.9
59 2 3 -3 36.34 72.68 1.50945 88.4 7.1 6.7 6.0
60 1 3 -3 36.635 73.27 1.49898 153.3 12.3 11.7 6.0
61 1 5 -2 36.844 73.689 1.49166 32.2 2.6 2.5 6.0
62 3 3 -3 37.173 74.345 1.48036 47.9 3.8 3.6 6.0
63 4 0 2 37.438 74.876 1.47139 61.0 4.9 4.6 6.0
64 0 5 2 37.6 75.201 1.46596 32.4 2.6 2.5 6.0
65 6 2 -2 37.789 75.577 1.45975 25.5 2.0 1.9 6.0
66 2 6 0 38.441 76.881 1.43873 22.2 1.8 1.7 6.0
67 3 5 -2 38.688 77.376 1.43095 61.7 4.9 4.7 6.0
68 3 5 1 38.811 77.623 1.42712 29.1 2.3 2.2 6.0
69 5 2 -3 39.295 78.591 1.41234 18.6 1.5 1.4 6.0
70 1 5 2 39.457 78.914 1.40749 30.9 2.5 2.3 6.0
71 5 3 1 39.865 79.729 1.39547 324.5 26.0 24.4 6.0
72 2 4 -3 40.336 80.673 1.38189 47.2 3.8 3.5 6.1
73 1 3 3 40.542 81.084 1.37609 93.2 7.5 7.0 6.1
74 2 2 3 41.298 82.596 1.35529 19.7 1.6 1.5 6.1
75 7 0 -2 41.39 82.78 1.35282 31.7 2.5 2.4 6.1
76 7 1 -2 41.949 83.898 1.33807 74.8 6.0 5.6 6.1
77 5 3 -3 42.104 84.207 1.33407 62.2 5.0 4.6 6.1
78 3 0 -4 43.411 86.823 1.30154 64.4 5.2 4.8 6.1
79 6 2 1 43.694 87.388 1.2948 18.7 1.5 1.4 6.2
80 0 6 2 43.788 87.577 1.29258 144.0 11.6 10.6 6.2
81 3 1 -4 43.967 87.934 1.2884 14.7 1.2 1.1 6.2
82 4 0 -4 44.657 89.314 1.2726 50.1 4.0 3.7 6.2
83 3 6 -2 44.845 89.691 1.26838 15.1 1.2 1.1 6.2
84 4 6 0 44.982 89.964 1.26536 29.0 2.3 2.1 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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