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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CLINOFERROSILITE
10, t-diopside, at 760'C, f-pyroxenes, sf-Mg-Fe-pyroxenes, s-clinoenstatite
Mg(0.31)Fe(0.67)Ca(0.015)SiO(3)
Monoclinic C 2/c Z = 8
R =0.036 NR =665
30 .5 .1990
Ref.Str.:
J.R.Smyth (1974)
* Amer. Mineral., 59, 1069-1082
Reserv:
Clinohypersthene.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.851 alpha = 90.0
b = 9.045 beta = 110.05
c = 5.326 gamma = 90.0
Unit cell volume (cub. angs.) = 445.8
Molar volume ( cub.cm/mol.) = 33.57
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.9006 0.25 1.92 Mg = 0.52, Fe = 0.48
2 0.0 0.2628 0.25 2.8 Mg = 0.12, Fe = 0.85, Ca = 0.03
3 0.2965 0.0888 0.269 1.67 Si = 1.00
4 0.1234 0.0899 0.1544 2.0 O = 1.00
5 0.3788 0.2407 0.363 2.6 O = 1.00
6 0.351 0.0092 0.0483 3.8 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.9006 0.25
2 2 0.0 0.2628 0.25
3 3 0.2965 0.0888 0.269
4 4 0.1234 0.0899 0.1544
5 5 0.3788 0.2407 0.363
6 6 0.351 0.0092 0.0483
7 1 0.0 0.0994 0.75
8 2 0.0 0.7372 0.75
9 3 0.7035 0.9112 0.731
10 4 0.8766 0.9101 0.8456
11 5 0.6212 0.7593 0.637
12 6 0.649 0.9908 0.9517
13 3 0.2965 0.9112 0.769
14 4 0.1234 0.9101 0.6544
15 5 0.3788 0.7593 0.863
16 6 0.351 0.9908 0.5483
17 3 0.7035 0.0888 0.231
18 4 0.8766 0.0899 0.3456
19 5 0.6212 0.2407 0.137
20 6 0.649 0.0092 0.4517
21 1 0.5 0.5994 0.75
22 2 0.5 0.2372 0.75
23 3 0.7965 0.4112 0.769
24 4 0.6234 0.4101 0.6544
25 5 0.8788 0.2593 0.863
26 6 0.851 0.4908 0.5483
27 1 0.5 0.4006 0.25
28 2 0.5 0.7628 0.25
29 3 0.2035 0.5888 0.231
30 4 0.3766 0.5899 0.3456
31 5 0.1212 0.7407 0.137
32 6 0.149 0.5092 0.4517
33 3 0.7965 0.5888 0.269
34 4 0.6234 0.5899 0.1544
35 5 0.8788 0.7407 0.363
36 6 0.851 0.5092 0.0483
37 3 0.2035 0.4112 0.731
38 4 0.3766 0.4101 0.8456
39 5 0.1212 0.2593 0.637
40 6 0.149 0.4908 0.9517
X-ray density (g/cm cub.) = 3.62
MU (1/cm) = 180.354 Mass attenuation coefficient (cm**2/g) = 49.769
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 6
2.2568 4
2.0806 4
2.0806 4
2.2568 4
2.091 5
2.091 5
2 Mg ,Fe ,Ca 2.88 6
2.1464 4
2.1464 4
1.9969 5
2.6822 6
2.6822 6
1.9969 5
3 Si 2.1 4
1.6021 4
1.5866 5
1.619 6
1.655 6
4 O 3.264 11
2.7401 5
2.5977 6
2.9187 4
3.1203 4
3.1203 4
2.647 6
2.9403 4
2.8281 5
3.1597 5
2.9988 5
3.1466 5
5 O 3.264 8
2.7401 4
2.6371 6
2.5186 6
3.0202 5
2.8281 4
3.1597 4
2.9988 4
3.1466 4
6 O 3.264 8
2.5977 4
2.6371 5
3.1537 6
2.647 4
2.5186 5
2.6682 6
2.6682 6
2.9848 6
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 1 0 7.948 15.897 0.077 101.65 4 22.6 104.7
2 2 0 0 11.146 22.292 0.108 50.62 2 58.4 173.7
3 0 2 0 11.407 22.814 0.111 48.24 2 1.6 0.1
4 1 1 -1 11.425 22.849 0.111 48.09 4 34.4 114.3
5 1 1 1 14.529 29.057 0.14 28.96 4 2.5 0.4
6 0 2 1 15.462 30.925 0.149 25.34 4 48.9 122.2
7 2 2 0 16.055 32.11 0.155 23.37 4 101.2 482.1
8 2 2 -1 16.925 33.85 0.163 20.84 4 153.0 981.5
9 3 1 -1 17.485 34.971 0.168 19.41 4 88.6 307.0
10 3 1 0 17.841 35.681 0.171 18.58 4 107.0 428.4
11 1 3 0 18.181 36.362 0.174 17.82 4 20.9 15.7
12 1 3 -1 20.044 40.087 0.192 14.37 4 123.9 444.1
13 2 0 -2 20.075 40.15 0.192 14.32 2 2.7 0.1
14 1 1 -2 20.554 41.109 0.196 13.58 4 22.6 14.0
15 0 0 2 20.95 41.9 0.2 13.02 2 178.5 417.5
16 2 2 1 21.316 42.633 0.203 12.52 4 88.7 198.1
17 1 3 1 22.069 44.138 0.21 11.58 4 58.5 79.6
18 4 0 0 22.745 45.49 0.216 10.82 2 34.7 13.1
19 3 1 -2 22.836 45.672 0.217 10.72 4 7.8 1.3
20 0 4 0 23.301 46.602 0.221 10.24 2 23.2 5.6
21 2 2 -2 23.338 46.676 0.221 10.21 4 25.8 13.6
22 3 1 1 23.685 47.37 0.225 9.87 4 61.2 74.4
23 0 2 2 24.118 48.235 0.228 9.47 4 43.3 35.8
24 3 3 -1 24.236 48.473 0.229 9.37 4 130.6 321.6
25 1 1 2 24.401 48.801 0.231 9.23 4 63.9 75.8
26 3 3 0 24.51 49.019 0.232 9.13 4 24.7 11.2
27 4 2 -1 24.591 49.181 0.233 9.06 4 60.0 65.6
28 4 0 -2 25.293 50.586 0.239 8.5 2 134.7 155.3
29 0 4 1 25.727 51.454 0.243 8.18 4 59.7 58.7
30 4 2 0 25.739 51.479 0.243 8.17 4 38.9 24.9
31 2 4 0 26.121 52.242 0.246 7.9 4 42.7 29.0
32 1 3 -2 26.673 53.345 0.251 7.53 4 0.6 0.0
33 2 4 -1 26.715 53.431 0.251 7.51 4 58.5 51.7
34 2 0 2 27.458 54.916 0.258 7.05 2 111.8 88.7
35 5 1 -1 27.699 55.398 0.26 6.91 4 0.3 0.0
36 4 2 -2 28.086 56.173 0.263 6.7 4 11.8 1.9
37 3 3 -2 28.58 57.16 0.267 6.44 4 31.1 12.5
38 3 3 1 29.307 58.614 0.274 6.08 4 44.3 24.0
39 5 1 0 29.558 59.115 0.276 5.97 4 36.8 16.3
40 1 3 2 29.927 59.854 0.279 5.81 4 27.7 8.9
41 2 4 1 29.967 59.933 0.279 5.79 4 42.0 20.6
42 2 2 2 30.114 60.228 0.28 5.72 4 79.1 72.2
43 5 1 -2 30.178 60.357 0.281 5.7 4 5.1 0.3
44 1 5 0 30.252 60.505 0.282 5.67 4 87.0 86.3
45 4 2 1 31.174 62.348 0.289 5.3 4 54.8 32.0
46 1 1 -3 31.386 62.771 0.291 5.22 4 42.2 18.7
47 1 5 -1 31.56 63.12 0.293 5.16 4 34.0 12.0
48 2 4 -2 31.583 63.165 0.293 5.15 4 57.1 33.8
49 3 1 -3 31.62 63.24 0.293 5.14 4 39.2 15.9
50 0 4 2 32.223 64.445 0.298 4.93 4 41.4 17.0
51 4 4 -1 32.615 65.23 0.301 4.8 4 3.6 0.1
52 3 1 2 32.759 65.518 0.302 4.76 4 66.7 42.6
53 2 2 -3 32.775 65.55 0.303 4.75 4 122.1 142.6
54 5 3 -1 32.853 65.707 0.303 4.73 4 145.9 202.7
55 1 5 1 33.063 66.126 0.305 4.67 4 23.0 5.0
56 4 4 0 33.582 67.163 0.309 4.51 4 25.2 5.8
57 5 3 0 34.547 69.093 0.317 4.26 4 4.8 0.2
58 6 0 -2 34.572 69.145 0.317 4.25 2 105.0 47.2
59 3 5 -1 34.755 69.51 0.319 4.2 4 68.2 39.3
60 0 2 3 34.864 69.729 0.32 4.18 4 6.1 0.3
61 3 5 0 34.974 69.948 0.32 4.15 4 54.6 25.0
62 5 3 -2 35.119 70.237 0.322 4.12 4 16.6 2.3
63 4 2 -3 35.309 70.618 0.323 4.07 4 1.6 0.0
64 5 1 1 35.338 70.676 0.323 4.07 4 2.9 0.1
65 6 2 -1 35.446 70.891 0.324 4.04 4 27.4 6.1
66 6 0 0 35.446 70.893 0.324 4.04 2 102.3 42.6
67 4 4 -2 35.608 71.217 0.325 4.0 4 0.2 0.0
68 1 1 3 35.809 71.617 0.327 3.96 4 7.1 0.4
69 1 3 -3 36.239 72.478 0.33 3.87 4 111.4 96.6
70 0 6 0 36.394 72.789 0.332 3.84 2 144.9 81.1
71 3 3 -3 36.458 72.916 0.332 3.82 4 71.6 39.5
72 5 1 -3 36.467 72.934 0.332 3.82 4 14.4 1.6
73 1 5 -2 36.749 73.497 0.334 3.77 4 37.2 10.5
74 6 2 -2 36.936 73.872 0.336 3.73 4 62.2 29.0
75 2 4 2 37.41 74.82 0.34 3.64 4 34.2 8.6
76 3 3 2 37.526 75.052 0.34 3.62 4 14.9 1.6
77 4 0 2 37.59 75.181 0.341 3.61 2 95.0 32.8
78 6 2 0 37.788 75.576 0.343 3.58 4 8.8 0.6
79 0 6 1 38.293 76.587 0.346 3.5 4 6.7 0.3
80 4 4 1 38.369 76.739 0.347 3.48 4 6.0 0.3
81 3 5 -2 38.37 76.74 0.347 3.48 4 70.7 35.0
82 2 6 0 38.612 77.223 0.349 3.45 4 29.1 5.9
83 3 5 1 39.002 78.003 0.352 3.39 4 52.4 18.7
84 2 6 -1 39.096 78.192 0.353 3.38 4 13.6 1.3
85 1 5 2 39.545 79.09 0.356 3.31 4 33.0 7.3
86 2 4 -3 39.838 79.677 0.358 3.28 4 58.9 22.9
87 4 2 2 39.887 79.774 0.358 3.27 4 9.5 0.6
88 5 3 1 39.977 79.954 0.359 3.26 4 160.5 168.9
89 7 1 -1 40.198 80.397 0.361 3.23 4 34.8 7.9
90 1 3 3 40.429 80.857 0.363 3.2 4 83.4 44.9
91 7 1 -2 40.949 81.898 0.366 3.14 4 88.4 49.4
92 5 3 -3 41.063 82.126 0.367 3.13 4 77.9 38.2
93 2 2 3 41.279 82.557 0.369 3.11 4 41.0 10.5
94 0 4 3 41.792 83.583 0.373 3.06 4 23.5 3.4
95 2 6 1 41.847 83.694 0.373 3.05 4 4.8 0.1
96 6 2 -3 42.12 84.241 0.375 3.03 4 24.3 3.6
97 5 5 -1 42.174 84.349 0.375 3.02 4 23.0 3.2
98 4 4 -3 42.212 84.424 0.376 3.02 4 22.6 3.1
99 6 4 -1 42.342 84.683 0.377 3.01 4 0.8 0.0
100 2 0 -4 42.358 84.717 0.377 3.01 2 13.6 0.6
101 3 1 -4 42.882 85.763 0.38 2.96 4 46.8 13.1
102 7 1 0 43.14 86.281 0.382 2.94 4 52.9 16.6
103 2 6 -2 43.273 86.546 0.383 2.93 4 29.6 5.2
104 4 0 -4 43.354 86.708 0.384 2.93 2 133.9 52.8
105 5 5 0 43.742 87.483 0.386 2.9 4 16.1 1.5
106 6 4 -2 43.766 87.531 0.387 2.9 4 1.5 0.0
107 6 2 1 43.768 87.536 0.387 2.9 4 32.6 6.2
108 0 6 2 43.848 87.696 0.387 2.89 4 118.6 82.0
109 1 1 -4 44.032 88.064 0.389 2.88 4 21.8 2.8
110 4 6 -1 44.203 88.407 0.39 2.87 4 8.0 0.4
111 5 5 -2 44.278 88.556 0.39 2.87 4 4.7 0.1
112 3 1 3 44.321 88.642 0.391 2.86 4 30.3 5.3
113 1 7 0 44.342 88.685 0.391 2.86 4 5.9 0.2
114 5 1 2 44.408 88.817 0.391 2.86 4 37.7 8.2
115 6 4 0 44.587 89.175 0.392 2.85 4 12.1 0.8
116 2 2 -4 44.603 89.207 0.393 2.85 4 56.9 18.6
117 7 3 -1 44.703 89.406 0.393 2.84 4 12.5 0.9
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 1 0 7.948 15.897 6.4684 104.7 10.7 10.8 5.6
2 2 0 0 11.146 22.292 4.62698 173.7 17.7 17.9 5.6
3 1 1 -1 11.425 22.849 4.51572 114.3 11.6 11.8 5.6
4 0 2 1 15.462 30.925 3.355 122.2 12.5 12.5 5.6
5 2 2 0 16.055 32.11 3.2342 482.1 49.1 49.2 5.6
6 2 2 -1 16.925 33.85 3.07247 981.5 100.0 100.0 5.7
7 3 1 -1 17.485 34.971 2.97694 307.0 31.3 31.2 5.7
8 3 1 0 17.841 35.681 2.91955 428.4 43.7 43.6 5.7
9 1 3 0 18.181 36.362 2.86669 15.7 1.6 1.6 5.7
10 1 3 -1 20.044 40.087 2.60976 444.1 45.2 45.0 5.7
11 1 1 -2 20.554 41.109 2.54761 14.0 1.4 1.4 5.7
12 0 0 2 20.95 41.9 2.50161 417.5 42.5 42.2 5.7
13 2 2 1 21.316 42.633 2.46056 198.1 20.2 20.0 5.7
14 1 3 1 22.069 44.138 2.38066 79.6 8.1 8.0 5.7
15 4 0 0 22.745 45.49 2.31349 13.1 1.3 1.3 5.7
16 2 2 -2 23.338 46.676 2.25786 13.6 1.4 1.4 5.7
17 3 1 1 23.685 47.37 2.22664 74.4 7.6 7.5 5.7
18 0 2 2 24.118 48.235 2.18903 35.8 3.6 3.6 5.7
19 3 3 -1 24.236 48.473 2.17894 321.6 32.8 32.3 5.7
20 1 1 2 24.401 48.801 2.16516 75.8 7.7 7.6 5.7
21 3 3 0 24.51 49.019 2.15613 11.2 1.1 1.1 5.7
22 4 2 -1 24.591 49.181 2.14947 65.6 6.7 6.6 5.7
23 4 0 -2 25.293 50.586 2.09356 155.3 15.8 15.5 5.8
24 0 4 1 25.727 51.454 2.06057 83.6 8.5 8.4 5.8
25 2 4 0 26.121 52.242 2.03162 29.0 3.0 2.9 5.8
26 2 4 -1 26.715 53.431 1.98965 51.7 5.3 5.2 5.8
27 2 0 2 27.458 54.916 1.93986 88.7 9.0 8.8 5.8
28 3 3 -2 28.58 57.16 1.86976 12.5 1.3 1.2 5.8
29 3 3 1 29.307 58.614 1.82732 24.0 2.4 2.4 5.8
30 5 1 0 29.558 59.115 1.81322 16.3 1.7 1.6 5.8
31 2 4 1 29.967 59.933 1.79072 20.6 2.1 2.0 5.8
32 2 2 2 30.114 60.228 1.78277 72.2 7.4 7.1 5.8
33 1 5 0 30.252 60.505 1.7754 86.3 8.8 8.5 5.8
34 4 2 1 31.174 62.348 1.72795 32.0 3.3 3.2 5.8
35 1 1 -3 31.386 62.771 1.71749 18.7 1.9 1.8 5.9
36 2 4 -2 31.583 63.165 1.70788 45.8 4.7 4.5 5.9
37 3 1 -3 31.62 63.24 1.70605 15.9 1.6 1.6 5.9
38 0 4 2 32.223 64.445 1.6775 17.0 1.7 1.7 5.9
39 2 2 -3 32.775 65.55 1.65231 185.2 18.9 18.2 5.9
40 5 3 -1 32.853 65.707 1.6488 202.7 20.7 19.9 5.9
41 6 0 -2 34.572 69.145 1.57629 47.2 4.8 4.6 5.9
42 3 5 -1 34.755 69.51 1.56904 39.3 4.0 3.8 5.9
43 3 5 0 34.974 69.948 1.56045 25.0 2.5 2.4 5.9
44 6 0 0 35.446 70.893 1.54233 48.6 5.0 4.7 5.9
45 1 3 -3 36.239 72.478 1.51308 96.6 9.8 9.4 5.9
46 0 6 0 36.394 72.789 1.5075 81.1 8.3 7.8 6.0
47 3 3 -3 36.458 72.916 1.50524 41.1 4.2 4.0 6.0
48 1 5 -2 36.749 73.497 1.49499 10.5 1.1 1.0 6.0
49 6 2 -2 36.936 73.872 1.48847 29.0 3.0 2.8 6.0
50 4 0 2 37.59 75.181 1.4663 32.8 3.3 3.2 6.0
51 3 5 -2 38.37 76.74 1.44096 35.0 3.6 3.4 6.0
52 3 5 1 39.002 78.003 1.42126 18.7 1.9 1.8 6.0
53 2 4 -3 39.838 79.677 1.39623 22.9 2.3 2.2 6.0
54 5 3 1 39.977 79.954 1.3922 168.9 17.2 16.1 6.0
55 1 3 3 40.429 80.857 1.37927 44.9 4.6 4.3 6.1
56 7 1 -2 40.949 81.898 1.36479 49.4 5.0 4.7 6.1
57 5 3 -3 41.063 82.126 1.36167 38.2 3.9 3.6 6.1
58 2 2 3 41.279 82.557 1.35582 10.5 1.1 1.0 6.1
59 3 1 -4 42.882 85.763 1.31445 13.1 1.3 1.2 6.1
60 7 1 0 43.14 86.281 1.3081 16.6 1.7 1.6 6.1
61 4 0 -4 43.354 86.708 1.30293 52.8 5.4 5.0 6.1
62 0 6 2 43.848 87.696 1.29118 82.0 8.4 7.7 6.2
63 2 2 -4 44.603 89.207 1.2738 18.6 1.9 1.7 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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