Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
CLINOENSTATITE
3, t-pigeonite, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-clinoenstatite
Mg(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. Morimoto N., Appleman D.E., Avans H.T. (1960)
* Z. Kristallogr., 114, 120-147
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 = 9.626 alpha = 90.0
b = 8.825 beta = 108.33
c = 5.188 gamma = 90.0
Unit cell volume (cub. angs.) = 418.36
Molar volume ( cub.cm/mol.) = 63.0
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.253 0.653 0.22 0.58 Mg = 1.00
2 0.258 0.014 0.193 0.58 Mg = 1.00
3 0.043 0.342 0.294 0.55 Si = 1.00
4 0.553 0.839 0.236 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 0.253 0.653 0.22
2 2 0.258 0.014 0.193
3 3 0.043 0.342 0.294
4 4 0.553 0.839 0.236
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 0.747 0.153 0.28
12 2 0.742 0.514 0.307
13 3 0.957 0.842 0.206
14 4 0.447 0.339 0.264
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 0.253 0.847 0.72
22 2 0.258 0.486 0.693
23 3 0.043 0.158 0.794
24 4 0.553 0.661 0.736
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 0.747 0.347 0.78
32 2 0.742 0.986 0.807
33 3 0.957 0.658 0.706
34 4 0.447 0.161 0.764
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.) = 3.19
MU (1/cm) = 101.329 Mass attenuation coefficient (cm**2/g) = 31.798
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.0451 6
2.1381 8
2.1591 5
2.0037 9
2.0928 8
2.0192 5
2 Mg 2.52 6
1.9714 8
2.2377 5
2.513 10
1.9394 6
2.3035 7
2.1245 9
3 Si 2.1 4
1.5903 5
1.5617 6
1.6482 7
1.6811 7
4 Si 2.1 4
1.6485 8
1.5808 9
1.6895 10
1.5787 10
5 O 3.264 11
2.7277 6
2.7114 7
2.9689 6
2.8059 8
2.9939 5
2.9939 5
2.631 7
2.7957 9
2.9552 6
3.0127 6
2.8313 8
6 O 3.264 10
2.7277 5
2.4697 7
2.9689 5
2.893 9
2.6603 7
2.8197 8
2.9552 5
3.0127 5
3.0955 7
3.1022 10
7 O 3.264 9
2.7114 5
2.4697 6
2.9852 10
2.631 5
2.6603 6
2.6322 7
2.6322 7
3.0955 6
2.961 10
8 O 3.264 11
2.7501 9
2.6525 10
2.8059 5
3.1145 9
2.8197 6
3.0408 8
3.0408 8
2.5959 10
2.8313 5
2.953 9
3.0679 9
9 O 3.264 10
2.7501 8
2.5658 10
2.893 6
3.1145 8
3.1209 10
2.7957 5
2.628 10
2.953 8
3.0679 8
3.1587 9
10 O 3.264 10
2.6525 8
2.5658 9
2.9852 7
3.1209 9
2.5959 8
2.628 9
2.7047 10
2.7047 10
3.1022 6
2.961 7
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 4.836 9.671 0.055 278.47 2 2.2 1.5
2 1 1 0 6.97 13.939 0.079 132.87 4 5.5 9.3
3 2 0 0 9.706 19.412 0.109 67.44 2 5.6 2.4
4 0 2 0 10.054 20.107 0.113 62.71 2 34.4 84.6
5 1 1 -1 10.124 20.247 0.114 61.82 4 1.2 0.2
6 0 1 1 10.318 20.636 0.116 59.43 4 26.2 93.3
7 2 1 0 10.944 21.888 0.123 52.59 4 4.5 2.4
8 1 2 0 11.178 22.356 0.126 50.32 4 1.4 0.2
9 2 1 -1 12.097 24.195 0.136 42.66 4 0.0 0.0
10 1 1 1 12.586 25.172 0.141 39.25 4 22.4 45.2
11 1 2 -1 13.406 26.811 0.15 34.36 4 17.5 23.9
12 0 2 1 13.556 27.111 0.152 33.56 4 69.9 374.3
13 2 2 0 14.045 28.091 0.158 31.12 4 64.5 295.9
14 3 0 0 14.649 29.298 0.164 28.45 2 12.9 5.4
15 2 2 -1 14.976 29.952 0.168 27.14 4 121.9 922.2
16 1 2 1 15.38 30.759 0.172 25.63 4 19.9 23.3
17 3 1 -1 15.471 30.943 0.173 25.31 4 62.0 222.2
18 3 1 0 15.518 31.035 0.174 25.15 4 98.5 557.3
19 1 3 0 15.967 31.934 0.179 23.64 4 17.5 16.5
20 2 1 1 16.12 32.241 0.18 23.16 4 5.1 1.4
21 1 0 -2 17.294 34.589 0.193 19.88 2 26.5 16.0
22 1 3 -1 17.641 35.283 0.197 19.04 4 66.1 189.9
23 0 3 1 17.759 35.517 0.198 18.76 4 30.3 39.4
24 2 0 -2 17.766 35.533 0.198 18.75 2 65.3 91.4
25 3 2 -1 17.855 35.711 0.199 18.54 4 15.0 9.5
26 3 2 0 17.896 35.792 0.199 18.45 4 9.9 4.1
27 1 1 -2 18.049 36.098 0.201 18.11 4 7.5 2.3
28 2 3 0 18.146 36.291 0.202 17.9 4 7.1 2.1
29 0 0 2 18.229 36.458 0.203 17.72 2 128.3 333.2
30 2 2 1 18.43 36.86 0.205 17.3 4 68.9 187.8
31 2 1 -2 18.504 37.008 0.206 17.15 4 5.0 1.0
32 2 3 -1 18.895 37.79 0.21 16.37 4 55.2 114.2
33 0 1 2 18.952 37.903 0.211 16.27 4 7.6 2.2
34 1 3 1 19.225 38.451 0.214 15.76 4 0.8 0.0
35 3 0 -2 19.557 39.114 0.217 15.17 2 14.3 3.6
36 4 1 -1 19.607 39.215 0.218 15.09 4 9.3 3.0
37 4 0 0 19.706 39.412 0.219 14.92 2 26.2 11.7
38 1 2 -2 20.166 40.333 0.224 14.17 4 10.7 3.7
39 3 1 -2 20.239 40.478 0.225 14.06 4 0.3 0.0
40 3 1 1 20.349 40.697 0.226 13.89 4 46.5 68.7
41 4 1 0 20.384 40.767 0.226 13.84 4 5.9 1.1
42 1 0 2 20.404 40.808 0.226 13.81 2 69.6 76.4
43 0 4 0 20.434 40.869 0.227 13.76 2 0.4 0.0
44 2 2 -2 20.582 41.163 0.228 13.54 4 3.8 0.5
45 0 2 2 20.992 41.983 0.233 12.96 4 9.9 2.9
46 1 4 0 21.049 42.098 0.233 12.88 4 5.0 0.7
47 1 1 2 21.063 42.126 0.233 12.86 4 50.0 73.4
48 3 3 -1 21.313 42.626 0.236 12.52 4 91.2 238.2
49 3 3 0 21.348 42.696 0.236 12.48 4 19.3 10.6
50 4 2 -1 21.596 43.191 0.239 12.16 4 38.5 41.1
51 2 3 1 21.811 43.621 0.241 11.89 4 11.7 3.8
52 3 2 -2 22.181 44.361 0.245 11.45 4 29.8 23.3
53 3 2 1 22.282 44.565 0.246 11.33 4 7.6 1.5
54 4 2 0 22.315 44.63 0.246 11.29 4 19.6 10.0
55 1 4 -1 22.397 44.793 0.247 11.2 4 17.6 7.9
56 4 0 -2 22.4 44.799 0.247 11.2 2 68.2 59.5
57 0 4 1 22.493 44.986 0.248 11.09 4 54.6 75.6
58 2 4 0 22.812 45.624 0.252 10.75 4 37.5 34.6
59 1 2 2 22.948 45.897 0.253 10.6 4 7.2 1.2
60 4 1 -2 23.013 46.025 0.254 10.54 4 33.0 26.3
61 1 3 -2 23.338 46.677 0.257 10.21 4 3.4 0.3
62 2 4 -1 23.437 46.874 0.258 10.11 4 56.9 74.9
63 2 0 2 23.535 47.071 0.259 10.01 2 66.5 50.6
64 2 3 -2 23.709 47.417 0.261 9.85 4 16.8 6.3
65 1 4 1 23.715 47.431 0.261 9.84 4 20.6 9.6
66 0 3 2 24.076 48.152 0.265 9.51 4 17.1 6.3
67 2 1 2 24.126 48.252 0.265 9.47 4 5.9 0.8
68 5 1 -1 24.218 48.436 0.266 9.38 4 22.4 10.8
69 4 3 -1 24.62 49.24 0.27 9.04 4 35.6 26.2
70 4 2 -2 24.781 49.561 0.272 8.91 4 18.7 7.1
71 5 0 0 24.929 49.857 0.274 8.79 2 1.7 0.0
72 4 1 1 25.026 50.052 0.275 8.71 4 3.2 0.2
73 3 3 -2 25.15 50.3 0.276 8.61 4 28.0 15.5
74 3 3 1 25.243 50.486 0.277 8.54 4 12.4 3.0
75 4 3 0 25.273 50.545 0.277 8.52 4 3.5 0.2
76 5 1 0 25.495 50.99 0.279 8.35 4 49.4 46.5
77 3 4 -1 25.507 51.014 0.28 8.34 4 27.8 14.7
78 3 4 0 25.538 51.075 0.28 8.32 4 5.0 0.5
79 2 2 2 25.837 51.673 0.283 8.1 4 56.5 59.2
80 1 3 2 25.85 51.701 0.283 8.09 4 22.6 9.5
81 5 2 -1 25.924 51.848 0.284 8.04 4 35.8 23.6
82 2 4 1 25.942 51.884 0.284 8.03 4 41.0 30.9
83 5 0 -2 26.03 52.059 0.285 7.96 2 19.2 3.3
84 1 5 0 26.39 52.781 0.289 7.72 4 59.7 62.8
85 5 1 -2 26.579 53.158 0.29 7.59 4 10.2 1.8
86 4 2 1 26.694 53.389 0.292 7.52 4 33.6 19.4
87 2 1 -3 27.025 54.05 0.295 7.31 4 6.8 0.8
88 5 2 0 27.143 54.286 0.296 7.24 4 13.4 3.0
89 1 1 -3 27.276 54.552 0.297 7.16 4 12.7 2.6
90 1 4 -2 27.294 54.588 0.298 7.15 4 13.9 3.2
91 3 0 2 27.385 54.77 0.299 7.09 2 37.6 11.5
92 1 5 -1 27.537 55.074 0.3 7.01 4 15.2 3.7
93 4 3 -2 27.539 55.079 0.3 7.0 4 10.3 1.7
94 0 5 1 27.62 55.239 0.301 6.96 4 32.7 17.0
95 2 4 -2 27.625 55.25 0.301 6.96 4 35.1 19.6
96 3 1 -3 27.772 55.544 0.302 6.87 4 20.8 6.8
97 2 5 0 27.895 55.79 0.304 6.8 4 1.5 0.0
98 3 1 2 27.916 55.832 0.304 6.79 4 66.8 69.2
99 0 4 2 27.955 55.91 0.304 6.77 4 46.4 33.3
100 5 2 -2 28.183 56.365 0.307 6.65 4 27.4 11.4
101 2 5 -1 28.437 56.875 0.309 6.51 4 5.2 0.4
102 4 4 -1 28.446 56.891 0.309 6.51 4 4.6 0.3
103 0 1 3 28.508 57.015 0.31 6.48 4 35.7 18.9
104 2 3 2 28.523 57.046 0.31 6.47 4 2.4 0.1
105 5 3 -1 28.605 57.21 0.311 6.43 4 118.2 205.2
106 2 2 -3 28.612 57.223 0.311 6.42 4 105.6 163.6
107 1 5 1 28.68 57.361 0.312 6.39 4 8.7 1.1
108 1 2 -3 28.854 57.707 0.313 6.3 4 26.8 10.3
109 3 4 -2 28.926 57.852 0.314 6.27 4 15.4 3.4
110 3 4 1 29.01 58.021 0.315 6.23 4 25.1 9.0
111 4 4 0 29.037 58.075 0.315 6.21 4 38.4 20.9
112 6 1 -1 29.209 58.419 0.317 6.13 4 20.0 5.6
113 4 3 1 29.327 58.654 0.318 6.07 4 29.7 12.3
114 3 2 -3 29.332 58.663 0.318 6.07 4 15.1 3.1
115 4 1 -3 29.466 58.932 0.319 6.01 4 27.9 10.7
116 3 2 2 29.471 58.941 0.319 6.01 4 21.6 6.4
117 1 4 2 29.564 59.129 0.32 5.97 4 28.6 11.2
118 5 3 0 29.749 59.499 0.322 5.88 4 11.1 1.6
119 0 2 3 30.043 60.086 0.325 5.76 4 21.1 5.8
120 5 1 1 30.079 60.159 0.325 5.74 4 12.3 2.0
121 3 5 -1 30.264 60.528 0.327 5.66 4 40.8 21.5
122 6 0 -2 30.274 60.549 0.327 5.66 2 69.1 30.9
123 3 5 0 30.291 60.583 0.327 5.65 4 52.5 35.6
124 6 0 0 30.384 60.767 0.328 5.61 2 79.8 40.8
125 1 1 3 30.643 61.286 0.331 5.51 4 23.1 6.7
126 2 5 1 30.653 61.306 0.331 5.5 4 2.6 0.1
127 6 2 -1 30.723 61.445 0.332 5.48 4 12.4 1.9
128 5 3 -2 30.732 61.464 0.332 5.47 4 13.9 2.4
129 6 1 -2 30.773 61.547 0.332 5.46 4 0.5 0.0
130 6 1 0 30.881 61.763 0.333 5.41 4 1.5 0.0
131 4 2 -3 30.972 61.944 0.334 5.38 4 8.4 0.9
132 4 4 -2 31.119 62.239 0.335 5.32 4 19.7 4.7
133 2 3 -3 31.139 62.278 0.336 5.31 4 88.7 95.5
134 1 3 -3 31.369 62.738 0.338 5.23 4 72.8 63.4
135 5 2 1 31.568 63.135 0.34 5.16 4 3.6 0.2
136 0 6 0 31.581 63.162 0.34 5.15 2 150.1 132.6
137 4 0 2 31.814 63.628 0.342 5.07 2 64.7 24.3
138 3 3 -3 31.824 63.648 0.342 5.07 4 13.6 2.1
139 1 5 -2 31.874 63.748 0.343 5.05 4 16.8 3.2
140 3 3 2 31.957 63.913 0.344 5.02 4 12.4 1.8
141 5 1 -3 32.015 64.03 0.344 5.0 4 44.7 22.8
142 2 4 2 32.034 64.068 0.344 4.99 4 28.9 9.5
143 1 6 0 32.035 64.071 0.344 4.99 4 7.3 0.6
144 5 4 -1 32.11 64.221 0.345 4.97 4 12.2 1.7
145 1 2 3 32.116 64.232 0.345 4.97 4 20.4 4.7
146 2 5 -2 32.175 64.351 0.346 4.95 4 11.3 1.4
147 6 2 -2 32.243 64.486 0.346 4.92 4 37.3 15.6
148 4 1 2 32.299 64.598 0.347 4.91 4 25.9 7.5
149 6 2 0 32.348 64.697 0.347 4.89 4 6.5 0.5
150 0 5 2 32.476 64.953 0.349 4.85 4 54.5 32.9
151 0 3 3 32.503 65.006 0.349 4.84 4 20.5 4.6
152 4 4 1 32.786 65.573 0.352 4.75 4 0.2 0.0
153 4 5 -1 32.926 65.852 0.353 4.71 4 0.3 0.0
154 1 6 -1 33.057 66.114 0.354 4.67 4 5.2 0.3
155 0 6 1 33.131 66.263 0.355 4.65 4 21.2 4.8
156 6 3 -1 33.154 66.308 0.355 4.64 4 5.6 0.3
157 5 4 0 33.183 66.365 0.355 4.63 4 19.3 3.9
158 3 5 -2 33.368 66.736 0.357 4.58 4 46.1 22.2
159 2 6 0 33.379 66.758 0.357 4.57 4 0.7 0.0
160 4 3 -3 33.393 66.787 0.357 4.57 4 6.5 0.4
161 3 5 1 33.446 66.891 0.358 4.55 4 30.5 9.7
162 5 2 -3 33.455 66.909 0.358 4.55 4 43.1 19.3
163 4 5 0 33.47 66.941 0.358 4.55 4 8.3 0.7
164 2 1 3 33.584 67.167 0.359 4.51 4 3.7 0.1
165 4 2 2 33.732 67.465 0.36 4.47 4 7.5 0.6
166 2 6 -1 33.868 67.737 0.362 4.43 4 18.0 3.3
167 1 5 2 33.958 67.915 0.363 4.41 4 21.7 4.7
168 5 3 1 33.966 67.932 0.363 4.41 4 160.9 260.7
169 1 6 1 34.088 68.177 0.364 4.38 4 19.4 3.8
170 5 4 -2 34.11 68.219 0.364 4.37 4 32.8 10.7
171 1 3 3 34.495 68.989 0.368 4.27 4 55.1 29.6
172 2 4 -3 34.495 68.99 0.368 4.27 4 74.4 54.1
173 7 1 -1 34.587 69.174 0.368 4.25 4 20.0 3.9
174 6 3 -2 34.617 69.234 0.369 4.24 4 9.7 0.9
175 1 4 -3 34.713 69.427 0.37 4.21 4 4.5 0.2
176 6 3 0 34.719 69.438 0.37 4.21 4 5.5 0.3
177 2 2 3 34.99 69.981 0.372 4.15 4 25.1 6.0
178 7 0 -2 35.059 70.117 0.373 4.13 2 85.7 34.7
179 3 4 -3 35.146 70.292 0.374 4.11 4 3.2 0.1
180 3 4 2 35.272 70.545 0.375 4.08 4 4.5 0.2
181 6 1 -3 35.326 70.651 0.375 4.07 4 9.7 0.9
182 4 5 -2 35.406 70.813 0.376 4.05 4 16.6 2.6
183 7 1 -2 35.522 71.043 0.377 4.02 4 87.4 70.3
184 6 1 1 35.527 71.054 0.377 4.02 4 8.1 0.6
185 3 6 -1 35.536 71.071 0.377 4.02 4 12.5 1.4
186 3 6 0 35.561 71.122 0.378 4.01 4 11.0 1.1
187 5 3 -3 35.789 71.579 0.38 3.96 4 37.5 12.8
188 0 4 3 35.794 71.587 0.38 3.96 4 35.2 11.2
189 2 6 1 35.894 71.789 0.381 3.94 4 11.4 1.2
190 7 2 -1 35.976 71.951 0.381 3.92 4 2.2 0.0
191 4 3 2 36.059 72.117 0.382 3.91 4 12.4 1.4
192 7 0 0 36.163 72.326 0.383 3.89 2 23.7 2.5
193 2 5 2 36.266 72.532 0.384 3.86 4 6.6 0.4
194 5 5 -1 36.338 72.676 0.385 3.85 4 5.1 0.2
195 6 4 -1 36.417 72.833 0.385 3.83 4 1.5 0.0
196 2 0 -4 36.481 72.963 0.386 3.82 2 46.4 9.4
197 7 1 0 36.62 73.24 0.387 3.79 4 45.6 18.0
198 3 0 -4 36.623 73.245 0.387 3.79 2 82.1 29.2
199 4 4 -3 36.646 73.292 0.387 3.79 4 7.0 0.4
200 6 2 -3 36.702 73.405 0.388 3.78 4 8.3 0.6
201 5 0 2 36.777 73.554 0.389 3.76 2 19.1 1.6
202 7 2 -2 36.895 73.791 0.39 3.74 4 6.7 0.4
203 6 2 1 36.901 73.802 0.39 3.74 4 25.7 5.7
204 2 1 -4 36.937 73.874 0.39 3.73 4 49.2 20.7
205 4 5 1 36.977 73.954 0.39 3.72 4 11.4 1.1
206 1 6 -2 37.027 74.055 0.391 3.71 4 8.3 0.6
207 3 1 -4 37.077 74.155 0.391 3.71 4 30.5 7.9
208 1 0 -4 37.189 74.378 0.392 3.68 2 28.3 3.4
209 5 4 1 37.196 74.393 0.392 3.68 4 3.2 0.1
210 5 1 2 37.231 74.462 0.393 3.68 4 54.3 24.8
211 3 1 3 37.25 74.501 0.393 3.67 4 21.0 3.7
212 2 3 3 37.282 74.565 0.393 3.67 4 27.8 6.5
213 2 6 -2 37.309 74.618 0.393 3.66 4 57.3 27.5
214 5 5 0 37.353 74.706 0.394 3.66 4 42.2 14.9
215 0 6 2 37.591 75.181 0.396 3.61 4 97.4 78.3
216 4 0 -4 37.609 75.218 0.396 3.61 2 67.6 18.8
217 1 1 -4 37.641 75.283 0.396 3.6 4 0.7 0.0
218 1 4 3 37.705 75.411 0.397 3.59 4 7.6 0.5
219 6 4 -2 37.824 75.647 0.398 3.57 4 7.6 0.5
220 6 4 0 37.922 75.844 0.399 3.56 4 4.3 0.2
221 7 2 0 37.979 75.957 0.399 3.55 4 4.4 0.2
222 4 6 -1 38.013 76.025 0.4 3.54 4 4.9 0.2
223 4 1 -4 38.06 76.119 0.4 3.53 4 43.1 15.0
224 1 7 0 38.081 76.162 0.4 3.53 4 6.1 0.3
225 5 5 -2 38.236 76.472 0.402 3.51 4 15.3 1.9
226 7 3 -1 38.244 76.489 0.402 3.5 4 50.0 20.0
227 2 2 -4 38.291 76.582 0.402 3.5 4 9.6 0.7
228 3 6 -2 38.429 76.858 0.403 3.48 4 32.7 8.5
229 3 2 -4 38.43 76.86 0.403 3.47 4 3.3 0.1
230 3 6 1 38.502 77.005 0.404 3.46 4 11.7 1.1
231 4 6 0 38.526 77.052 0.404 3.46 4 21.3 3.6
232 5 2 2 38.582 77.163 0.405 3.45 4 15.5 1.9
233 3 2 3 38.601 77.202 0.405 3.45 4 9.8 0.8
234 2 5 -3 38.605 77.209 0.405 3.45 4 19.9 3.1
235 0 0 4 38.729 77.458 0.406 3.43 2 29.4 3.4
236 1 5 -3 38.814 77.627 0.407 3.42 4 20.0 3.1
237 6 3 -3 38.956 77.911 0.408 3.4 4 28.3 6.2
238 5 4 -3 38.958 77.916 0.408 3.4 4 17.3 2.3
239 1 6 2 38.986 77.973 0.408 3.39 4 18.5 2.6
240 1 2 -4 38.987 77.975 0.408 3.39 4 1.3 0.0
241 1 7 -1 39.032 78.063 0.409 3.38 4 13.5 1.4
242 0 7 1 39.101 78.202 0.409 3.38 4 6.5 0.3
243 7 3 -2 39.145 78.29 0.41 3.37 4 3.4 0.1
244 6 3 1 39.15 78.3 0.41 3.37 4 2.4 0.0
245 0 1 4 39.175 78.351 0.41 3.36 4 41.7 13.4
246 4 4 2 39.219 78.439 0.41 3.36 4 4.0 0.1
247 3 5 -3 39.229 78.458 0.411 3.36 4 31.4 7.5
248 2 7 0 39.333 78.665 0.411 3.34 4 18.6 2.6
249 7 1 -3 39.339 78.678 0.411 3.34 4 8.6 0.6
250 3 5 2 39.35 78.701 0.412 3.34 4 86.8 57.6
251 4 2 -4 39.401 78.803 0.412 3.33 4 7.9 0.5
252 5 0 -4 39.419 78.839 0.412 3.33 2 6.7 0.2
253 2 7 -1 39.792 79.585 0.415 3.28 4 8.7 0.6
254 0 5 3 39.852 79.704 0.416 3.27 4 20.0 3.0
255 5 1 -4 39.864 79.727 0.416 3.27 4 1.9 0.0
256 1 7 1 40.0 79.999 0.417 3.25 4 29.8 6.6
257 7 3 0 40.209 80.418 0.419 3.23 4 22.2 3.6
258 4 6 -2 40.366 80.732 0.42 3.21 4 38.7 11.0
259 8 0 -2 40.394 80.788 0.421 3.21 2 19.5 1.4
260 2 4 3 40.411 80.823 0.421 3.2 4 9.4 0.6
261 8 1 -1 40.427 80.855 0.421 3.2 4 7.8 0.4
262 6 5 -1 40.454 80.908 0.421 3.2 4 25.2 4.6
263 0 2 4 40.507 81.013 0.422 3.19 4 25.2 4.6
264 2 3 -4 40.517 81.033 0.422 3.19 4 10.5 0.8
265 3 3 -4 40.653 81.307 0.423 3.18 4 4.4 0.1
266 7 2 -3 40.669 81.338 0.423 3.17 4 26.8 5.2
267 4 5 -3 40.676 81.352 0.423 3.17 4 27.7 5.6
268 5 3 2 40.803 81.606 0.424 3.16 4 1.8 0.0
269 3 3 3 40.822 81.644 0.424 3.16 4 47.5 16.3
270 8 1 -2 40.836 81.672 0.424 3.16 4 6.0 0.3
271 1 0 4 41.074 82.149 0.426 3.13 2 9.8 0.3
272 5 2 -4 41.189 82.379 0.427 3.12 4 50.5 18.2
273 2 6 2 41.191 82.382 0.427 3.12 4 40.1 11.4
274 1 3 -4 41.203 82.406 0.428 3.12 4 2.9 0.1
275 5 5 1 41.21 82.42 0.428 3.12 4 6.9 0.3
276 5 6 -1 41.26 82.521 0.428 3.11 4 1.5 0.0
277 7 4 -1 41.352 82.705 0.429 3.1 4 5.1 0.2
278 3 7 -1 41.372 82.744 0.429 3.1 4 34.7 8.5
279 3 7 0 41.396 82.792 0.429 3.1 4 17.4 2.1
280 7 1 1 41.458 82.916 0.43 3.09 4 33.2 7.8
281 1 1 4 41.515 83.029 0.43 3.08 4 9.0 0.6
282 4 3 -4 41.612 83.223 0.431 3.08 4 0.7 0.0
283 4 1 3 41.612 83.224 0.431 3.08 4 8.6 0.5
284 1 5 3 41.705 83.41 0.432 3.07 4 16.1 1.8
285 2 7 1 41.714 83.429 0.432 3.07 4 8.5 0.5
286 8 2 -1 41.749 83.499 0.432 3.06 4 31.9 7.1
287 6 5 -2 41.821 83.641 0.433 3.05 4 27.5 5.3
288 4 6 1 41.877 83.754 0.433 3.05 4 3.9 0.1
289 6 5 0 41.916 83.833 0.434 3.05 4 7.7 0.4
290 6 0 -4 42.027 84.055 0.435 3.04 2 32.2 3.6
291 6 4 -3 42.051 84.101 0.435 3.03 4 14.6 1.5
292 8 2 -2 42.155 84.311 0.436 3.02 4 16.6 1.9
293 7 4 -2 42.237 84.474 0.436 3.02 4 1.7 0.0
294 5 6 0 42.241 84.482 0.436 3.02 4 5.4 0.2
295 6 4 1 42.242 84.484 0.436 3.02 4 2.4 0.0
296 6 0 2 42.314 84.629 0.437 3.01 2 23.2 1.9
297 8 0 0 42.406 84.813 0.438 3.0 2 52.2 9.4
298 6 1 -4 42.466 84.932 0.438 3.0 4 31.0 6.6
299 0 3 4 42.705 85.41 0.44 2.98 4 3.2 0.1
300 6 1 2 42.752 85.505 0.441 2.97 4 1.9 0.0
301 7 2 1 42.774 85.548 0.441 2.97 4 7.6 0.4
302 1 7 -2 42.802 85.605 0.441 2.97 4 1.3 0.0
303 1 2 4 42.831 85.661 0.441 2.97 4 38.7 10.2
304 8 1 0 42.844 85.689 0.441 2.97 4 5.9 0.2
305 7 3 -3 42.866 85.732 0.442 2.96 4 32.0 6.9
306 4 2 3 42.928 85.856 0.442 2.96 4 16.3 1.8
307 5 5 -3 42.93 85.859 0.442 2.96 4 28.4 5.4
308 2 7 -2 43.074 86.148 0.443 2.95 4 19.4 2.5
309 5 6 -2 43.099 86.198 0.444 2.95 4 7.4 0.4
310 4 5 2 43.186 86.372 0.444 2.94 4 0.8 0.0
311 7 4 0 43.286 86.571 0.445 2.93 4 0.4 0.0
312 0 7 2 43.347 86.693 0.446 2.93 4 6.2 0.3
313 5 3 -4 43.382 86.765 0.446 2.93 4 3.0 0.1
314 2 6 -3 43.458 86.917 0.446 2.92 4 0.2 0.0
315 2 4 -4 43.59 87.18 0.448 2.91 4 8.8 0.5
316 1 6 -3 43.663 87.325 0.448 2.91 4 2.1 0.0
317 3 4 -4 43.725 87.45 0.449 2.9 4 8.9 0.5
318 4 7 -1 43.756 87.512 0.449 2.9 4 16.7 1.8
319 6 2 -4 43.778 87.557 0.449 2.9 4 5.7 0.2
320 5 4 2 43.873 87.746 0.45 2.89 4 2.2 0.0
321 3 4 3 43.892 87.784 0.45 2.89 4 15.2 1.5
322 8 3 -1 43.939 87.877 0.45 2.89 4 27.7 5.1
323 8 1 -3 44.057 88.115 0.451 2.88 4 4.0 0.1
324 6 2 2 44.064 88.128 0.451 2.88 4 3.4 0.1
325 3 6 -3 44.069 88.138 0.451 2.88 4 20.0 2.6
326 8 2 0 44.156 88.312 0.452 2.87 4 26.9 4.8
327 3 7 -2 44.161 88.322 0.452 2.87 4 12.5 1.0
328 3 6 2 44.188 88.377 0.452 2.87 4 39.3 10.1
329 2 0 4 44.209 88.418 0.453 2.87 2 14.8 0.7
330 3 7 1 44.232 88.465 0.453 2.87 4 35.6 8.3
331 4 7 0 44.255 88.511 0.453 2.87 4 4.1 0.1
332 1 4 -4 44.27 88.539 0.453 2.87 4 7.3 0.3
333 0 8 0 44.288 88.577 0.453 2.87 2 19.0 1.2
334 8 3 -2 44.343 88.685 0.454 2.86 4 4.3 0.1
335 2 5 3 44.359 88.719 0.454 2.86 4 3.8 0.1
336 2 1 4 44.645 89.291 0.456 2.85 4 13.4 1.2
337 4 4 -4 44.675 89.35 0.456 2.85 4 17.5 2.0
338 0 6 3 44.681 89.363 0.456 2.84 4 0.9 0.0
339 1 8 0 44.696 89.391 0.457 2.84 4 9.5 0.6
340 1 7 2 44.705 89.41 0.457 2.84 4 8.6 0.5
341 7 3 1 44.959 89.918 0.459 2.83 4 6.6 0.3
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 6.97 13.939 6.34785 9.3 1.0 1.0 5.6
2 0 2 0 10.054 20.107 4.4125 84.6 9.2 9.2 5.6
3 0 1 1 10.318 20.636 4.30046 93.3 10.1 10.2 5.6
4 1 1 1 12.586 25.172 3.53497 45.2 4.9 4.9 5.6
5 1 2 -1 13.406 26.811 3.32243 23.9 2.6 2.6 5.6
6 0 2 1 13.556 27.111 3.28634 374.3 40.6 40.7 5.6
7 2 2 0 14.045 28.091 3.17392 295.9 32.1 32.1 5.6
8 2 2 -1 14.976 29.952 2.98083 922.2 100.0 100.0 5.6
9 1 2 1 15.38 30.759 2.9044 23.3 2.5 2.5 5.6
10 3 1 -1 15.471 30.943 2.88759 222.2 24.1 24.1 5.6
11 3 1 0 15.518 31.035 2.8792 557.3 60.4 60.4 5.6
12 1 3 0 15.967 31.934 2.80014 16.5 1.8 1.8 5.6
13 1 0 -2 17.294 34.589 2.59109 16.0 1.7 1.7 5.7
14 1 3 -1 17.641 35.283 2.5417 189.9 20.6 20.5 5.7
15 2 0 -2 17.766 35.533 2.52438 130.8 14.2 14.1 5.7
16 3 2 -1 17.855 35.711 2.51219 9.5 1.0 1.0 5.7
17 0 0 2 18.229 36.458 2.46238 333.2 36.1 35.9 5.7
18 2 2 1 18.43 36.86 2.43647 187.8 20.4 20.2 5.7
19 2 3 -1 18.895 37.79 2.37862 114.2 12.4 12.3 5.7
20 4 0 0 19.706 39.412 2.2844 11.7 1.3 1.3 5.7
21 3 1 1 20.349 40.697 2.21516 68.7 7.4 7.4 5.7
22 1 0 2 20.404 40.808 2.2094 77.5 8.4 8.3 5.7
23 1 1 2 21.063 42.126 2.14325 73.4 8.0 7.9 5.7
24 3 3 -1 21.313 42.626 2.11927 238.2 25.8 25.5 5.7
25 3 3 0 21.348 42.696 2.11595 10.6 1.1 1.1 5.7
26 4 2 -1 21.596 43.191 2.09284 41.1 4.5 4.4 5.7
27 3 2 -2 22.181 44.361 2.04033 23.3 2.5 2.5 5.7
28 4 2 0 22.315 44.63 2.02865 10.0 1.1 1.1 5.7
29 4 0 -2 22.4 44.799 2.0214 67.4 7.3 7.2 5.7
30 0 4 1 22.493 44.986 2.01344 75.6 8.2 8.1 5.7
31 2 4 0 22.812 45.624 1.98674 34.6 3.8 3.7 5.7
32 4 1 -2 23.013 46.025 1.97037 26.3 2.8 2.8 5.7
33 2 4 -1 23.437 46.874 1.93664 74.9 8.1 8.0 5.7
34 2 0 2 23.535 47.071 1.929 50.6 5.5 5.4 5.7
35 1 4 1 23.715 47.431 1.9152 15.9 1.7 1.7 5.7
36 5 1 -1 24.218 48.436 1.87778 10.8 1.2 1.1 5.7
37 4 3 -1 24.62 49.24 1.84896 26.2 2.8 2.8 5.7
38 3 3 -2 25.15 50.3 1.81246 15.5 1.7 1.6 5.8
39 5 1 0 25.495 50.99 1.78955 61.2 6.6 6.5 5.8
40 2 2 2 25.837 51.673 1.76749 68.6 7.4 7.3 5.8
41 2 4 1 25.942 51.884 1.76081 54.5 5.9 5.8 5.8
42 1 5 0 26.39 52.781 1.73297 62.8 6.8 6.7 5.8
43 4 2 1 26.694 53.389 1.71466 19.4 2.1 2.0 5.8
44 3 0 2 27.385 54.77 1.67464 11.5 1.2 1.2 5.8
45 2 4 -2 27.625 55.25 1.66122 36.6 4.0 3.9 5.8
46 3 1 2 27.916 55.832 1.64528 69.2 7.5 7.3 5.8
47 0 4 2 27.955 55.91 1.64317 33.3 3.6 3.5 5.8
48 5 2 -2 28.183 56.365 1.63097 11.4 1.2 1.2 5.8
49 0 1 3 28.508 57.015 1.6139 19.0 2.1 2.0 5.8
50 5 3 -1 28.605 57.21 1.60888 368.7 40.0 38.8 5.8
51 1 2 -3 28.854 57.707 1.5962 10.3 1.1 1.1 5.8
52 4 4 0 29.037 58.075 1.58696 29.9 3.2 3.1 5.8
53 4 3 1 29.327 58.654 1.57265 15.4 1.7 1.6 5.8
54 4 1 -3 29.466 58.932 1.5659 17.1 1.9 1.8 5.8
55 1 4 2 29.564 59.129 1.56117 11.2 1.2 1.2 5.8
56 3 5 0 30.291 60.583 1.52713 88.0 9.5 9.2 5.8
57 6 0 0 30.384 60.767 1.52293 40.8 4.4 4.3 5.8
58 2 3 -3 31.139 62.278 1.48957 100.2 10.9 10.5 5.8
59 1 3 -3 31.369 62.738 1.47975 63.4 6.9 6.6 5.9
60 0 6 0 31.581 63.162 1.47083 132.6 14.4 13.8 5.9
61 4 0 2 31.814 63.628 1.46119 26.4 2.9 2.8 5.9
62 5 1 -3 32.015 64.03 1.45297 32.9 3.6 3.4 5.9
63 6 2 -2 32.243 64.486 1.44379 15.6 1.7 1.6 5.9
64 0 5 2 32.476 64.953 1.43454 37.6 4.1 3.9 5.9
65 3 5 -2 33.368 66.736 1.40048 22.7 2.5 2.4 5.9
66 5 2 -3 33.455 66.909 1.39726 29.7 3.2 3.1 5.9
67 5 3 1 33.966 67.932 1.37869 265.5 28.8 27.5 5.9
68 5 4 -2 34.11 68.219 1.37359 14.5 1.6 1.5 5.9
69 2 4 -3 34.495 68.99 1.36011 83.7 9.1 8.6 5.9
70 7 0 -2 35.059 70.117 1.34098 34.7 3.8 3.6 5.9
71 7 1 -2 35.522 71.043 1.32576 72.4 7.8 7.5 5.9
72 5 3 -3 35.789 71.579 1.31715 24.0 2.6 2.5 5.9
73 2 0 -4 36.481 72.963 1.29554 9.4 1.0 1.0 6.0
74 3 0 -4 36.623 73.245 1.29124 47.6 5.2 4.9 6.0
75 2 1 -4 36.937 73.874 1.28181 20.7 2.2 2.1 6.0
76 5 1 2 37.231 74.462 1.27313 28.5 3.1 2.9 6.0
77 2 6 -2 37.309 74.618 1.27085 34.0 3.7 3.5 6.0
78 5 5 0 37.353 74.706 1.26957 14.9 1.6 1.5 6.0
79 0 6 2 37.591 75.181 1.26272 97.2 10.5 9.9 6.0
80 4 1 -4 38.06 76.119 1.24948 15.3 1.7 1.6 6.0
81 7 3 -1 38.244 76.489 1.24436 21.9 2.4 2.2 6.0
82 0 1 4 39.175 78.351 1.21938 13.4 1.4 1.4 6.0
83 3 5 2 39.35 78.701 1.21484 60.8 6.6 6.2 6.0
84 4 6 -2 40.366 80.732 1.18931 12.4 1.3 1.2 6.1
85 4 5 -3 40.676 81.352 1.18181 10.8 1.2 1.1 6.1
86 3 3 3 40.822 81.644 1.17832 16.5 1.8 1.7 6.1
87 5 2 -4 41.189 82.379 1.16966 30.0 3.3 3.0 6.1
88 3 7 -1 41.372 82.744 1.16543 10.7 1.2 1.1 6.1
89 8 0 0 42.406 84.813 1.1422 9.4 1.0 0.9 6.1
90 1 2 4 42.831 85.661 1.13304 10.4 1.1 1.0 6.1
91 3 6 2 44.188 88.377 1.10511 10.9 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)
|