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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AEGIRINE
13, t-diopside, at 800'C, f-pyroxenes, sf-Ca-Na-pyroxenes, s-aegirine
NaFe'''Si(2)O(6)
Monoclinic C 2/c Z = 4
R =0.034 NR =713
18 .6 .1990
Ref.Str.:
M.Cameron, S.Sueno, C.T.Prewitt (1973)
* Amer. Mineral., 58, 594-618
Reserv:
Acmite.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.711 alpha = 90.0
b = 8.77 beta = 107.29
c = 5.312 gamma = 90.0
Unit cell volume (cub. angs.) = 431.96
Molar volume ( cub.cm/mol.) = 65.05
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1146 0.0771 0.1356 1.48 O = 1.00
2 0.3588 0.2532 0.2967 2.03 O = 1.00
3 0.3507 0.007 0.0093 1.82 O = 1.00
4 0.2902 0.0888 0.2327 1.12 Si = 1.00
5 0.0 0.8969 0.25 1.3 Fe = 1.00
6 0.0 0.3002 0.25 3.58 Na = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1146 0.0771 0.1356
2 2 0.3588 0.2532 0.2967
3 3 0.3507 0.007 0.0093
4 4 0.2902 0.0888 0.2327
5 5 0.0 0.8969 0.25
6 6 0.0 0.3002 0.25
7 1 0.8854 0.9229 0.8644
8 2 0.6412 0.7468 0.7033
9 3 0.6493 0.993 0.9907
10 4 0.7098 0.9112 0.7673
11 5 0.0 0.1031 0.75
12 6 0.0 0.6998 0.75
13 1 0.1146 0.9229 0.6356
14 2 0.3588 0.7468 0.7967
15 3 0.3507 0.993 0.5093
16 4 0.2902 0.9112 0.7327
17 1 0.8854 0.0771 0.3644
18 2 0.6412 0.2532 0.2033
19 3 0.6493 0.007 0.4907
20 4 0.7098 0.0888 0.2673
21 1 0.6146 0.4229 0.6356
22 2 0.8588 0.2468 0.7967
23 3 0.8507 0.493 0.5093
24 4 0.7902 0.4112 0.7327
25 5 0.5 0.6031 0.75
26 6 0.5 0.1998 0.75
27 1 0.3854 0.5771 0.3644
28 2 0.1412 0.7532 0.2033
29 3 0.1493 0.507 0.4907
30 4 0.2098 0.5888 0.2673
31 5 0.5 0.3969 0.25
32 6 0.5 0.8002 0.25
33 1 0.6146 0.5771 0.1356
34 2 0.8588 0.7532 0.2967
35 3 0.8507 0.507 0.0093
36 4 0.7902 0.5888 0.2327
37 1 0.3854 0.4229 0.8644
38 2 0.1412 0.2468 0.7033
39 3 0.1493 0.493 0.9907
40 4 0.2098 0.4112 0.7673
X-ray density (g/cm cub.) = 3.55
MU (1/cm) = 168.588 Mass attenuation coefficient (cm**2/g) = 47.477
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 O 3.264 10
2.745 2
2.6456 3
2.6367 1
2.9805 1
2.9805 1
2.6525 3
2.8353 1
2.9947 2
2.8653 2
2.812 2
2 O 3.264 9
2.745 1
2.632 3
2.5577 3
2.9284 2
2.9947 1
2.8653 1
2.812 1
3.2319 2
3.0395 3
3 O 3.264 9
2.6456 1
2.632 2
2.9332 3
2.6525 1
2.5577 2
2.6588 3
2.6588 3
3.2465 3
3.0395 2
4 Si 2.1 4
1.6315 1
1.5822 2
1.6378 3
1.6422 3
5 Fe 2.592 6
2.123 1
2.0325 1
2.0325 1
2.123 1
1.9319 2
1.9319 2
6 Na 2.808 6
2.4162 1
2.4162 1
2.4362 2
2.434 3
2.434 3
2.4362 2
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 8.07 16.14 0.078 98.54 4 48.9 505.1
2 2 0 0 11.124 22.248 0.108 50.83 2 26.1 37.0
3 1 1 -1 11.638 23.277 0.113 46.26 4 57.3 325.9
4 0 2 0 11.77 23.54 0.114 45.18 2 67.3 219.2
5 1 1 1 14.29 28.579 0.138 30.0 4 43.0 119.0
6 0 2 1 15.643 31.286 0.151 24.71 4 3.2 0.5
7 2 2 0 16.306 32.612 0.157 22.59 4 36.6 64.8
8 2 2 -1 17.428 34.857 0.167 19.55 4 173.2 1257.9
9 3 1 0 17.869 35.739 0.172 18.51 4 121.1 582.3
10 3 1 -1 17.944 35.888 0.172 18.34 4 36.6 52.6
11 1 3 0 18.712 37.425 0.179 16.73 4 26.2 24.6
12 2 0 -2 20.371 40.743 0.195 13.86 2 4.1 0.3
13 1 1 -2 20.608 41.216 0.197 13.5 4 23.4 15.8
14 1 3 -1 20.611 41.221 0.197 13.5 4 97.8 277.0
15 0 0 2 20.653 41.306 0.197 13.44 2 177.1 452.0
16 2 2 1 21.148 42.295 0.202 12.74 4 128.6 452.0
17 1 3 1 22.312 44.625 0.212 11.3 4 18.4 8.2
18 4 0 0 22.698 45.395 0.216 10.87 2 32.1 12.0
19 3 1 1 23.232 46.464 0.22 10.31 4 34.8 26.8
20 3 1 -2 23.412 46.825 0.222 10.13 4 29.4 18.8
21 2 2 -2 23.795 47.59 0.226 9.77 4 3.9 0.3
22 1 1 2 23.915 47.83 0.227 9.66 4 98.8 202.2
23 0 2 2 24.044 48.089 0.228 9.54 4 37.3 28.5
24 0 4 0 24.077 48.154 0.228 9.51 2 35.2 12.6
25 3 3 0 24.908 49.815 0.235 8.8 4 24.2 11.1
26 3 3 -1 24.965 49.93 0.236 8.76 4 100.6 190.2
27 4 2 -1 25.19 50.38 0.238 8.58 4 83.6 128.5
28 4 2 0 25.879 51.757 0.244 8.07 4 2.3 0.1
29 4 0 -2 26.017 52.033 0.245 7.97 2 109.4 102.2
30 0 4 1 26.388 52.776 0.248 7.72 4 67.6 75.6
31 2 0 2 26.713 53.427 0.251 7.51 2 82.5 54.7
32 2 4 0 26.826 53.652 0.252 7.44 4 33.2 17.5
33 1 3 -2 27.07 54.141 0.254 7.28 4 12.2 2.3
34 2 4 -1 27.592 55.185 0.259 6.97 4 67.4 67.9
35 5 1 -1 28.22 56.439 0.264 6.63 4 55.8 44.2
36 4 2 -2 28.93 57.86 0.27 6.26 4 42.0 23.7
37 3 3 1 29.254 58.508 0.273 6.11 4 51.0 34.1
38 3 3 -2 29.408 58.815 0.274 6.04 4 42.1 22.9
39 5 1 0 29.538 59.076 0.276 5.98 4 31.4 12.6
40 2 2 2 29.58 59.161 0.276 5.96 4 14.6 2.7
41 1 3 2 29.838 59.676 0.278 5.84 4 16.6 3.5
42 2 4 1 30.329 60.657 0.282 5.63 4 40.4 19.7
43 4 2 1 30.791 61.582 0.286 5.45 4 49.2 28.3
44 5 1 -2 31.069 62.138 0.288 5.34 4 2.4 0.1
45 1 1 -3 31.26 62.519 0.29 5.27 4 41.4 19.4
46 1 5 0 31.265 62.53 0.29 5.27 4 99.2 111.2
47 3 1 2 31.899 63.798 0.295 5.04 4 61.6 41.0
48 3 1 -3 32.142 64.285 0.297 4.96 4 31.3 10.4
49 2 4 -2 32.432 64.863 0.3 4.86 4 15.5 2.5
50 1 5 -1 32.605 65.209 0.301 4.81 4 14.4 2.1
51 0 4 2 32.636 65.271 0.301 4.8 4 86.0 76.1
52 2 2 -3 33.09 66.179 0.305 4.66 4 125.6 157.6
53 4 4 -1 33.584 67.167 0.309 4.51 4 19.6 3.7
54 5 3 -1 33.635 67.27 0.31 4.5 4 128.7 159.8
55 1 5 1 33.869 67.737 0.312 4.43 4 3.7 0.1
56 4 4 0 34.162 68.325 0.314 4.36 4 97.3 88.3
57 0 2 3 34.543 69.086 0.317 4.26 4 30.0 8.2
58 5 1 1 34.739 69.477 0.319 4.21 4 44.0 17.5
59 5 3 0 34.834 69.668 0.319 4.18 4 1.9 0.0
60 1 1 3 35.059 70.117 0.321 4.13 4 38.4 13.1
61 6 0 0 35.366 70.733 0.324 4.06 2 94.8 39.1
62 6 0 -2 35.551 71.103 0.325 4.02 2 106.3 48.7
63 3 5 0 35.898 71.797 0.328 3.94 4 77.6 50.9
64 3 5 -1 35.944 71.889 0.328 3.93 4 25.9 5.6
65 6 2 -1 36.094 72.187 0.329 3.9 4 55.9 26.1
66 4 2 -3 36.215 72.429 0.33 3.87 4 43.0 15.4
67 5 3 -2 36.244 72.488 0.33 3.87 4 2.7 0.1
68 1 3 -3 36.421 72.842 0.332 3.83 4 117.1 112.7
69 4 0 2 36.523 73.046 0.333 3.81 2 112.1 51.3
70 4 4 -2 36.8 73.6 0.335 3.76 4 44.1 15.7
71 3 3 2 37.016 74.032 0.337 3.72 4 27.2 5.9
72 3 3 -3 37.243 74.486 0.338 3.68 4 41.4 13.5
73 2 4 2 37.377 74.753 0.339 3.65 4 4.1 0.1
74 5 1 -3 37.54 75.08 0.341 3.62 4 49.5 19.0
75 1 5 -2 37.675 75.349 0.342 3.6 4 24.8 4.8
76 0 6 0 37.73 75.461 0.342 3.59 2 110.7 47.2
77 6 2 0 37.857 75.714 0.343 3.57 4 0.0 0.0
78 6 2 -2 38.037 76.075 0.344 3.54 4 23.7 4.2
79 4 4 1 38.462 76.924 0.348 3.47 4 2.5 0.0
80 4 2 2 38.986 77.972 0.352 3.39 4 60.2 26.3
81 3 5 1 39.538 79.076 0.356 3.31 4 34.7 8.6
82 0 6 1 39.557 79.115 0.356 3.31 4 11.1 0.9
83 3 5 -2 39.671 79.343 0.357 3.3 4 114.7 93.0
84 5 3 1 39.694 79.389 0.357 3.29 4 140.4 139.2
85 2 6 0 39.914 79.828 0.359 3.27 4 7.8 0.4
86 1 3 3 40.0 79.999 0.359 3.25 4 30.3 6.4
87 1 5 2 40.047 80.094 0.36 3.25 4 60.2 25.2
88 2 2 3 40.362 80.725 0.362 3.21 4 88.3 53.7
89 2 6 -1 40.546 81.092 0.363 3.19 4 32.0 7.0
90 2 4 -3 40.564 81.128 0.364 3.19 4 62.9 27.0
91 7 1 -1 40.785 81.571 0.365 3.16 4 1.1 0.0
92 0 4 3 41.92 83.839 0.373 3.05 4 15.7 1.6
93 7 1 -2 42.085 84.171 0.375 3.03 4 110.8 79.8
94 2 0 -4 42.357 84.714 0.377 3.01 2 5.1 0.1
95 5 3 -3 42.389 84.777 0.377 3.0 4 77.1 38.3
96 2 6 1 42.88 85.759 0.38 2.96 4 27.3 4.7
97 3 1 3 42.997 85.994 0.381 2.95 4 8.5 0.5
98 7 1 0 43.073 86.146 0.382 2.95 4 62.9 25.0
99 6 2 1 43.188 86.376 0.383 2.94 4 75.0 35.5
100 5 1 2 43.198 86.397 0.383 2.94 4 16.2 1.7
101 3 1 -4 43.304 86.608 0.383 2.93 4 97.5 59.7
102 6 4 -1 43.388 86.775 0.384 2.93 4 4.4 0.1
103 5 5 -1 43.466 86.932 0.385 2.92 4 13.6 1.2
104 4 4 -3 43.503 87.006 0.385 2.92 4 5.2 0.2
105 6 2 -3 43.538 87.077 0.385 2.91 4 24.8 3.8
106 1 1 -4 43.674 87.348 0.386 2.91 4 17.1 1.8
107 4 0 -4 44.124 88.247 0.389 2.88 2 70.4 15.3
108 5 5 0 44.582 89.163 0.392 2.85 4 1.7 0.0
109 2 2 -4 44.745 89.489 0.394 2.84 4 6.7 0.3
110 2 6 -2 44.751 89.502 0.394 2.84 4 44.5 12.0
111 0 0 4 44.863 89.726 0.394 2.84 2 108.7 35.9
112 0 6 2 44.936 89.872 0.395 2.83 4 110.9 74.7
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 8.07 16.14 6.37147 505.1 40.2 40.7 5.6
2 2 0 0 11.124 22.248 4.63609 37.0 2.9 3.0 5.6
3 1 1 -1 11.638 23.277 4.43388 325.9 25.9 26.2 5.6
4 0 2 0 11.77 23.54 4.385 219.2 17.4 17.6 5.6
5 1 1 1 14.29 28.579 3.62391 119.0 9.5 9.5 5.6
6 2 2 0 16.306 32.612 3.18573 64.8 5.1 5.2 5.6
7 2 2 -1 17.428 34.857 2.98638 1257.9 100.0 100.0 5.7
8 3 1 0 17.869 35.739 2.915 582.3 46.3 46.3 5.7
9 3 1 -1 17.944 35.888 2.90326 52.6 4.2 4.2 5.7
10 1 3 0 18.712 37.425 2.78805 24.6 2.0 1.9 5.7
11 1 3 -1 20.611 41.221 2.54098 292.8 23.3 23.1 5.7
12 0 0 2 20.653 41.306 2.53598 452.0 35.9 35.7 5.7
13 2 2 1 21.148 42.295 2.47928 452.0 35.9 35.7 5.7
14 3 1 1 23.232 46.464 2.2676 26.8 2.1 2.1 5.7
15 3 1 -2 23.412 46.825 2.25109 18.8 1.5 1.5 5.7
16 1 1 2 23.915 47.83 2.20646 202.2 16.1 15.9 5.7
17 0 2 2 24.044 48.089 2.19529 28.5 2.3 2.2 5.7
18 0 4 0 24.077 48.154 2.1925 12.6 1.0 1.0 5.7
19 3 3 -1 24.965 49.93 2.11927 190.2 15.1 14.9 5.7
20 4 2 -1 25.19 50.38 2.10154 128.5 10.2 10.1 5.8
21 4 0 -2 26.017 52.033 2.03921 102.2 8.1 8.0 5.8
22 0 4 1 26.388 52.776 2.01251 75.6 6.0 5.9 5.8
23 2 0 2 26.713 53.427 1.98977 54.7 4.3 4.3 5.8
24 2 4 0 26.826 53.652 1.98203 17.5 1.4 1.4 5.8
25 2 4 -1 27.592 55.185 1.93114 67.9 5.4 5.3 5.8
26 5 1 -1 28.22 56.439 1.89163 44.2 3.5 3.4 5.8
27 4 2 -2 28.93 57.86 1.84904 23.7 1.9 1.8 5.8
28 3 3 1 29.254 58.508 1.83035 34.1 2.7 2.6 5.8
29 3 3 -2 29.408 58.815 1.82164 22.9 1.8 1.8 5.8
30 5 1 0 29.538 59.076 1.81432 12.6 1.0 1.0 5.8
31 2 4 1 30.329 60.657 1.77135 19.7 1.6 1.5 5.8
32 4 2 1 30.791 61.582 1.7473 28.3 2.2 2.2 5.8
33 1 5 0 31.265 62.53 1.72344 130.5 10.4 10.0 5.8
34 3 1 2 31.899 63.798 1.69269 41.0 3.3 3.1 5.9
35 0 4 2 32.636 65.271 1.65858 76.1 6.0 5.8 5.9
36 2 2 -3 33.09 66.179 1.63835 157.6 12.5 12.1 5.9
37 5 3 -1 33.635 67.27 1.61484 159.8 12.7 12.2 5.9
38 4 4 0 34.162 68.325 1.59287 88.3 7.0 6.7 5.9
39 5 1 1 34.739 69.477 1.56968 17.5 1.4 1.3 5.9
40 1 1 3 35.059 70.117 1.55717 13.1 1.0 1.0 5.9
41 6 0 0 35.366 70.733 1.54536 39.1 3.1 3.0 5.9
42 6 0 -2 35.551 71.103 1.53837 48.7 3.9 3.7 5.9
43 3 5 0 35.898 71.797 1.52547 50.9 4.0 3.9 5.9
44 6 2 -1 36.094 72.187 1.51833 26.1 2.1 2.0 5.9
45 4 2 -3 36.215 72.429 1.51395 15.4 1.2 1.2 5.9
46 1 3 -3 36.421 72.842 1.50656 112.7 9.0 8.5 6.0
47 4 0 2 36.523 73.046 1.50293 51.3 4.1 3.9 6.0
48 4 4 -2 36.8 73.6 1.49319 15.7 1.2 1.2 6.0
49 3 3 -3 37.243 74.486 1.47796 13.5 1.1 1.0 6.0
50 5 1 -3 37.54 75.08 1.46797 19.0 1.5 1.4 6.0
51 0 6 0 37.73 75.461 1.46167 47.2 3.7 3.5 6.0
52 4 2 2 38.986 77.972 1.42174 26.3 2.1 2.0 6.0
53 5 3 1 39.694 79.389 1.40045 232.2 18.5 17.3 6.0
54 1 5 2 40.047 80.094 1.39017 25.2 2.0 1.9 6.0
55 2 2 3 40.362 80.725 1.38115 53.7 4.3 4.0 6.1
56 2 4 -3 40.564 81.128 1.37546 34.0 2.7 2.5 6.1
57 7 1 -2 42.085 84.171 1.33454 79.8 6.3 5.9 6.1
58 5 3 -3 42.389 84.777 1.32679 38.3 3.0 2.8 6.1
59 7 1 0 43.073 86.146 1.30974 25.0 2.0 1.8 6.1
60 6 2 1 43.188 86.376 1.30694 37.1 3.0 2.7 6.1
61 3 1 -4 43.304 86.608 1.30413 59.7 4.7 4.4 6.1
62 4 0 -4 44.124 88.247 1.28476 15.3 1.2 1.1 6.2
63 0 0 4 44.863 89.726 1.26799 35.9 2.9 2.6 6.2
64 0 6 2 44.936 89.872 1.26638 74.7 5.9 5.4 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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