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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OXO-MAGNESIO-HASTINGSITE
1, f-amphiboles, sf-pargasite, s-hastingsite, DN
(Na,K)Ca(2)Mg(3)Fe'''(2)[Al(2)Si(6)]O(22)O(2)
Monoclinic C 2/m Z = 2
C2/m
13 .8 .15
Ref.Str.:
Zaitsev A.N., Avdontseva E.Y., Britvin S.N., Demeny A., Homonnay Z.,
Jeffries T.E., Keller J., Krivovichev V.G., Markl G., Platonova N.V.,
Siidra O.I., Spratt J., Vennemann T. (2013) * Mineral. Mag., 77, 2773-2792
L: $Na0.82 K0.33 Mg3.09 Ti4+0.44 Fe3+1.35 Al1.92 Ca1.84 Mn2+0.01 Si6.2
O24 H0.6$
R: Locality - the Deeti volcanic cone, Gregory rift, northern Tanzania.
Coordinates of Ca-position are corrected.
In original x=0.27880, y=0.50000, z=0.01131. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.8837 alpha = 90.0
b = 18.0662 beta = 105.28
c = 5.3107 gamma = 90.0
Unit cell volume (cub. angs.) = 914.77
Molar volume ( cub.cm/mol.) = 275.5
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0217 0.5 0.0433 0.0 Na = 0.34, Na = 0.0
2 0.0587 0.5 0.114 0.0 K = 0.17, K = 0.0
3 0.0 0.0834 0.5 0.0 Mg = 0.61, Ti = 0.22, Fe = 0.17
4 0.0 0.1772 0.0 0.0 Mg = 0.6 , Fe = 0.34, Al = 0.06
5 0.0 0.0 0.0 0.0 Mg = 0.67, Fe = 0.33
6 0.0 0.2788 0.5 0.0 Ca = 0.92, Na = 0.08, Mn = 0.0
7 0.2819 0.0853 0.3031 0.0 Si = 0.57, Al = 0.43
8 0.2902 0.1725 0.8106 0.0 Si = 0.98, Al = 0.03
9 0.1078 0.087 0.2196 0.0 O = 1.00
10 0.1186 0.1715 0.7276 0.0 O = 1.00
11 0.1072 0.0 0.7145 0.0 O = 0.7 , OH = 0.3
12 0.3649 0.2503 0.7899 0.0 O = 1.00
13 0.3498 0.1388 0.108 0.0 O = 1.00
14 0.3465 0.1178 0.6068 0.0 O = 1.00
15 0.3414 0.0 0.2852 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0217 0.5 0.0433
2 2 0.0587 0.5 0.114
3 3 0.0 0.0834 0.5
4 4 0.0 0.1772 0.0
5 5 0.0 0.0 0.0
6 6 0.0 0.2788 0.5
7 7 0.2819 0.0853 0.3031
8 8 0.2902 0.1725 0.8106
9 9 0.1078 0.087 0.2196
10 10 0.1186 0.1715 0.7276
11 11 0.1072 0.0 0.7145
12 12 0.3649 0.2503 0.7899
13 13 0.3498 0.1388 0.108
14 14 0.3465 0.1178 0.6068
15 15 0.3414 0.0 0.2852
16 1 0.9783 0.5 0.9567
17 2 0.9413 0.5 0.886
18 3 0.0 0.9166 0.5
19 4 0.0 0.8228 0.0
20 6 0.0 0.7212 0.5
21 7 0.7181 0.9147 0.6969
22 8 0.7098 0.8275 0.1894
23 9 0.8922 0.913 0.7804
24 10 0.8814 0.8285 0.2724
25 11 0.8928 0.0 0.2855
26 12 0.6351 0.7497 0.2101
27 13 0.6502 0.8612 0.8921
28 14 0.6535 0.8822 0.3932
29 15 0.6586 0.0 0.7148
30 7 0.2819 0.9147 0.3031
31 8 0.2902 0.8275 0.8106
32 9 0.1078 0.913 0.2196
33 10 0.1186 0.8285 0.7276
34 12 0.3649 0.7497 0.7899
35 13 0.3498 0.8612 0.108
36 14 0.3465 0.8822 0.6068
37 7 0.7181 0.0853 0.6969
38 8 0.7098 0.1725 0.1894
39 9 0.8922 0.087 0.7804
40 10 0.8814 0.1715 0.2724
41 12 0.6351 0.2503 0.2101
42 13 0.6502 0.1388 0.8921
43 14 0.6535 0.1178 0.3932
44 1 0.5217 0.0 0.0433
45 2 0.5587 0.0 0.114
46 3 0.5 0.4166 0.5
47 4 0.5 0.3228 0.0
48 5 0.5 0.5 0.0
49 6 0.5 0.2212 0.5
50 7 0.7819 0.4147 0.3031
51 8 0.7902 0.3275 0.8106
52 9 0.6078 0.413 0.2196
53 10 0.6186 0.3285 0.7276
54 11 0.6072 0.5 0.7145
55 12 0.8649 0.2497 0.7899
56 13 0.8498 0.3612 0.108
57 14 0.8465 0.3822 0.6068
58 15 0.8414 0.5 0.2852
59 1 0.4783 0.0 0.9567
60 2 0.4413 0.0 0.886
61 3 0.5 0.5834 0.5
62 4 0.5 0.6772 0.0
63 6 0.5 0.7788 0.5
64 7 0.2181 0.5853 0.6969
65 8 0.2098 0.6725 0.1894
66 9 0.3922 0.587 0.7804
67 10 0.3814 0.6715 0.2724
68 11 0.3928 0.5 0.2855
69 12 0.1351 0.7503 0.2101
70 13 0.1502 0.6388 0.8921
71 14 0.1535 0.6178 0.3932
72 15 0.1586 0.5 0.7148
73 7 0.7819 0.5853 0.3031
74 8 0.7902 0.6725 0.8106
75 9 0.6078 0.587 0.2196
76 10 0.6186 0.6715 0.7276
77 12 0.8649 0.7503 0.7899
78 13 0.8498 0.6388 0.108
79 14 0.8465 0.6178 0.6068
80 7 0.2181 0.4147 0.6969
81 8 0.2098 0.3275 0.1894
82 9 0.3922 0.413 0.7804
83 10 0.3814 0.3285 0.2724
84 12 0.1351 0.2497 0.2101
85 13 0.1502 0.3612 0.8921
86 14 0.1535 0.3822 0.3932
X-ray density (g/cm cub.) = 3.22
MU (1/cm) = 230.386 Mass attenuation coefficient (cm**2/g) = 71.474
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Na 2.856 2
2.4561 15
2.4735 15
2 K ,K 3.276 10
3.2432 13
2.5433 15
3.1858 11
3.0097 13
2.6217 14
3.0814 15
2.5637 15
3.2432 13
3.0097 13
2.6217 14
3 Mg ,Ti ,Fe 2.64 6
2.0477 9
2.1489 10
2.0141 11
2.0141 11
2.0477 9
2.1489 10
4 Mg ,Fe ,Al 2.64 6
2.1199 9
2.0904 10
2.1199 9
2.0904 10
1.9896 12
1.9896 12
5 Mg ,Fe 2.64 6
2.0762 9
2.0659 11
2.0762 9
2.0659 11
2.0762 9
2.0762 9
6 Ca ,Na ,Mn 2.928 8
2.4181 10
2.4181 10
2.3484 12
2.6692 13
2.5626 14
2.3484 12
2.6692 13
2.5626 14
7 Si ,Al 2.364 4
1.6603 9
1.6811 13
1.6766 14
1.6609 15
8 Si ,Al 2.364 4
1.6362 10
1.6054 12
1.6495 13
1.6662 14
9 O 3.312 12
3.0771 10
3.0519 10
3.0638 11
3.1076 11
2.7743 13
2.7471 14
2.7384 15
2.7386 11
3.1435 9
2.7132 9
2.7829 10
2.9527 12
10 O 3.312 11
3.0519 9
3.0771 9
3.1001 11
2.7641 12
2.6868 13
2.6813 14
2.7829 9
2.89 10
2.9715 12
2.8925 12
3.1325 12
11 O ,OH 3.36 12
3.1076 9
3.0638 9
3.1001 10
3.3411 14
3.2935 15
2.7386 9
2.6714 11
3.1076 9
3.0638 9
3.1001 10
3.3411 14
2.7386 9
12 O 3.312 10
2.7641 10
2.6583 13
2.573 14
2.9957 12
2.9715 10
2.9527 9
2.8925 10
3.1325 10
3.3094 12
3.068 13
13 O 3.312 8
2.7743 9
2.6868 10
2.6583 12
2.6849 14
2.6803 14
2.6878 15
3.0089 14
3.068 12
14 O 3.312 7
2.7471 9
2.6813 10
2.573 12
2.6803 13
2.6849 13
2.7207 15
3.0089 13
15 O 3.312 7
2.7384 9
3.2935 11
2.6878 13
2.7207 14
2.7384 9
2.6878 13
2.7207 14
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 0 2 0 5.683 11.366 0.055 201.0 2 39.5 75.0
2 1 1 0 6.089 12.178 0.059 174.77 4 67.6 382.2
3 0 0 1 10.055 20.11 0.098 62.69 2 5.9 0.5
4 1 3 0 10.118 20.236 0.098 61.89 4 17.5 9.0
5 1 1 -1 10.483 20.966 0.102 57.51 4 49.4 67.1
6 2 0 0 10.814 21.629 0.105 53.91 2 31.1 12.5
7 0 4 0 11.422 22.845 0.111 48.1 2 77.1 68.4
8 0 2 1 11.579 23.158 0.112 46.75 4 16.4 6.0
9 2 2 0 12.249 24.497 0.119 41.56 4 6.8 0.9
10 2 0 -1 12.712 25.424 0.123 38.44 2 3.2 0.1
11 1 1 1 12.969 25.939 0.125 36.85 4 40.7 29.1
12 1 3 -1 13.273 26.547 0.128 35.09 4 46.2 35.9
13 2 2 -1 13.964 27.927 0.135 31.51 4 6.4 0.6
14 0 4 1 15.308 30.617 0.148 25.89 4 17.2 3.7
15 1 3 1 15.339 30.679 0.148 25.78 4 161.9 322.8
16 1 5 0 15.351 30.702 0.148 25.74 4 17.6 3.8
17 2 4 0 15.831 31.663 0.152 24.08 4 133.2 204.3
18 3 1 0 16.604 33.209 0.16 21.72 4 183.8 350.7
19 2 0 1 16.739 33.478 0.161 21.35 2 28.0 4.0
20 3 1 -1 17.078 34.157 0.164 20.43 4 43.6 18.5
21 2 4 -1 17.22 34.441 0.165 20.07 4 4.7 0.2
22 0 6 0 17.281 34.562 0.166 19.92 2 28.9 4.0
23 1 5 -1 17.65 35.301 0.169 19.02 4 39.7 14.3
24 2 2 1 17.732 35.464 0.17 18.83 4 139.0 174.0
25 3 3 0 18.556 37.112 0.178 17.04 4 90.5 66.8
26 3 3 -1 18.987 37.975 0.182 16.2 4 148.5 170.8
27 1 5 1 19.296 38.592 0.185 15.63 4 247.8 458.8
28 1 1 -2 19.906 39.812 0.19 14.59 4 23.3 3.8
29 0 6 1 20.156 40.311 0.193 14.19 4 210.5 300.5
30 0 0 2 20.438 40.876 0.195 13.76 2 71.5 16.8
31 2 4 1 20.459 40.917 0.195 13.72 4 3.2 0.1
32 2 0 -2 20.497 40.994 0.196 13.67 2 323.3 341.5
33 2 6 0 20.57 41.14 0.196 13.56 4 10.2 0.7
34 1 7 0 21.041 42.083 0.201 12.89 4 23.2 3.3
35 0 2 2 21.282 42.564 0.203 12.57 4 16.6 1.7
36 2 2 -2 21.339 42.679 0.203 12.49 4 24.6 3.6
37 1 3 -2 21.602 43.203 0.206 12.15 4 2.0 0.0
38 2 6 -1 21.696 43.393 0.207 12.03 4 17.2 1.7
39 4 0 -1 21.705 43.41 0.207 12.02 2 23.5 1.6
40 3 1 1 21.811 43.621 0.208 11.89 4 22.4 2.8
41 3 5 0 22.013 44.027 0.21 11.65 4 78.2 34.0
42 4 0 0 22.04 44.08 0.21 11.61 2 51.9 7.5
43 3 5 -1 22.389 44.778 0.213 11.21 4 187.3 187.9
44 4 2 -1 22.511 45.021 0.214 11.07 4 121.5 78.1
45 1 1 2 22.823 45.646 0.217 10.74 4 38.7 7.7
46 4 2 0 22.836 45.673 0.217 10.72 4 3.6 0.1
47 1 7 -1 22.848 45.696 0.217 10.71 4 112.7 65.1
48 3 1 -2 22.931 45.862 0.218 10.62 4 130.7 86.7
49 0 8 0 23.333 46.667 0.221 10.21 2 12.9 0.4
50 3 3 1 23.394 46.788 0.222 10.15 4 52.9 13.6
51 0 4 2 23.668 47.337 0.224 9.89 4 34.6 5.7
52 2 4 -2 23.721 47.442 0.225 9.84 4 97.6 44.8
53 1 7 1 24.199 48.399 0.229 9.4 4 65.3 19.2
54 1 3 2 24.355 48.71 0.231 9.27 4 26.0 3.0
55 2 6 1 24.441 48.883 0.231 9.19 4 211.5 196.5
56 3 3 -2 24.458 48.915 0.231 9.18 4 83.3 30.4
57 1 5 -2 24.711 49.421 0.234 8.96 4 63.1 17.1
58 4 4 -1 24.804 49.608 0.235 8.89 4 1.0 0.0
59 4 4 0 25.107 50.214 0.237 8.65 4 22.1 2.0
60 0 8 1 25.649 51.298 0.242 8.24 4 2.2 0.0
61 2 0 2 25.964 51.927 0.245 8.01 2 227.6 99.1
62 2 8 0 25.994 51.988 0.245 7.99 4 18.6 1.3
63 4 0 -2 26.111 52.222 0.246 7.91 2 210.9 84.1
64 3 5 1 26.34 52.681 0.248 7.75 4 153.9 87.8
65 3 7 0 26.516 53.033 0.25 7.63 4 72.6 19.2
66 2 2 2 26.67 53.341 0.251 7.53 4 26.9 2.6
67 4 2 -2 26.815 53.63 0.252 7.44 4 13.8 0.7
68 3 7 -1 26.844 53.688 0.252 7.42 4 42.5 6.4
69 2 8 -1 26.943 53.886 0.253 7.36 4 33.3 3.9
70 4 0 1 26.98 53.961 0.254 7.34 2 27.0 1.3
71 1 9 0 27.088 54.176 0.255 7.27 4 103.3 37.1
72 1 5 2 27.224 54.448 0.256 7.19 4 16.2 0.9
73 5 1 -1 27.261 54.521 0.256 7.17 4 20.3 1.4
74 0 6 2 27.287 54.575 0.256 7.15 4 11.3 0.4
75 3 5 -2 27.319 54.639 0.257 7.13 4 72.6 18.0
76 2 6 -2 27.335 54.67 0.257 7.12 4 2.0 0.0
77 4 2 1 27.669 55.338 0.26 6.93 4 53.0 9.3
78 5 1 0 28.143 56.286 0.264 6.67 4 85.2 23.1
79 4 6 -1 28.318 56.635 0.265 6.58 4 89.4 25.1
80 4 6 0 28.594 57.189 0.268 6.43 4 7.6 0.2
81 1 9 -1 28.604 57.208 0.268 6.43 4 122.3 45.9
82 5 3 -1 28.618 57.236 0.268 6.42 4 44.1 6.0
83 2 4 2 28.719 57.437 0.269 6.37 4 64.8 12.8
84 4 4 -2 28.856 57.712 0.27 6.3 4 87.5 23.0
85 1 7 -2 28.901 57.803 0.27 6.28 4 73.9 16.4
86 2 8 1 29.323 58.645 0.274 6.08 4 12.5 0.5
87 5 3 0 29.474 58.947 0.275 6.01 4 76.6 16.9
88 4 4 1 29.671 59.343 0.277 5.92 4 13.9 0.5
89 0 10 0 29.676 59.353 0.277 5.92 2 112.8 18.0
90 1 9 1 29.766 59.532 0.278 5.88 4 34.6 3.4
91 3 1 2 30.355 60.711 0.282 5.62 4 24.2 1.6
92 3 7 1 30.376 60.752 0.283 5.62 4 26.1 1.8
93 2 0 -3 30.511 61.022 0.284 5.56 2 10.5 0.1
94 5 1 -2 30.533 61.065 0.284 5.55 4 99.0 26.0
95 1 1 -3 30.638 61.277 0.285 5.51 4 29.5 2.3
96 2 2 -3 31.15 62.299 0.289 5.31 4 5.6 0.1
97 1 7 2 31.185 62.369 0.289 5.3 4 30.1 2.3
98 5 5 -1 31.218 62.436 0.29 5.28 4 47.9 5.8
99 3 7 -2 31.272 62.544 0.29 5.26 4 21.4 1.1
100 0 0 3 31.587 63.174 0.293 5.15 2 33.8 1.4
101 3 3 2 31.628 63.256 0.293 5.14 4 48.3 5.7
102 0 10 1 31.667 63.334 0.293 5.12 4 48.6 5.8
103 5 3 -2 31.801 63.603 0.295 5.07 4 3.1 0.0
104 3 9 0 31.805 63.61 0.295 5.07 4 55.3 7.4
105 3 1 -3 31.841 63.682 0.295 5.06 4 32.8 2.6
106 0 8 2 31.872 63.745 0.295 5.05 4 19.8 0.9
107 1 3 -3 31.905 63.809 0.295 5.04 4 126.9 38.8
108 2 8 -2 31.916 63.831 0.296 5.03 4 115.7 32.2
109 2 6 2 31.943 63.885 0.296 5.03 4 3.5 0.0
110 2 10 0 31.969 63.938 0.296 5.02 4 54.4 7.1
111 5 5 0 32.031 64.063 0.296 5.0 4 21.0 1.1
112 4 6 -2 32.072 64.144 0.297 4.98 4 15.3 0.6
113 3 9 -1 32.098 64.195 0.297 4.97 4 64.1 9.8
114 0 2 3 32.213 64.426 0.298 4.93 4 110.4 28.7
115 2 10 -1 32.806 65.613 0.303 4.74 4 10.7 0.3
116 4 8 -1 32.813 65.626 0.303 4.74 4 21.0 1.0
117 4 6 1 32.839 65.679 0.303 4.73 4 249.0 140.3
118 6 0 -1 32.931 65.862 0.304 4.71 2 10.9 0.1
119 5 1 1 32.968 65.936 0.304 4.69 4 9.2 0.2
120 2 4 -3 33.022 66.045 0.305 4.68 4 17.6 0.7
121 4 8 0 33.067 66.134 0.305 4.66 4 133.0 39.4
122 3 3 -3 33.082 66.164 0.305 4.66 4 3.9 0.0
123 6 2 -1 33.544 67.087 0.309 4.53 4 29.0 1.8
124 1 11 0 33.548 67.096 0.309 4.52 4 164.5 58.5
125 1 1 3 33.926 67.853 0.312 4.42 4 32.5 2.2
126 4 0 -3 33.931 67.863 0.312 4.42 2 1.3 0.0
127 1 9 -2 33.958 67.917 0.312 4.41 4 15.7 0.5
128 0 4 3 34.054 68.109 0.313 4.38 4 5.3 0.1
129 3 5 2 34.094 68.188 0.313 4.37 4 11.1 0.3
130 5 3 1 34.187 68.375 0.314 4.35 4 15.2 0.5
131 6 0 0 34.255 68.511 0.315 4.33 2 165.0 28.2
132 5 5 -2 34.261 68.521 0.315 4.33 4 17.0 0.6
133 1 5 -3 34.36 68.721 0.315 4.3 4 241.1 119.6
134 4 2 -3 34.535 69.071 0.317 4.26 4 4.8 0.0
135 6 2 0 34.857 69.714 0.319 4.18 4 45.4 4.1
136 1 11 -1 34.894 69.788 0.32 4.17 4 18.1 0.7
137 5 7 -1 34.907 69.813 0.32 4.17 4 46.3 4.3
138 2 10 1 34.944 69.889 0.32 4.16 4 58.0 6.7
139 1 3 3 35.129 70.259 0.322 4.11 4 14.2 0.4
140 4 0 2 35.172 70.344 0.322 4.1 2 201.8 39.9
141 3 9 1 35.313 70.627 0.323 4.07 4 14.1 0.4
142 6 4 -1 35.35 70.701 0.323 4.06 4 4.9 0.0
143 6 0 -2 35.377 70.754 0.324 4.06 2 271.6 71.5
144 3 5 -3 35.496 70.993 0.325 4.03 4 51.4 5.1
145 5 7 0 35.677 71.354 0.326 3.99 4 46.7 4.2
146 4 2 2 35.766 71.532 0.327 3.97 4 47.9 4.3
147 1 11 1 35.941 71.883 0.328 3.93 4 18.5 0.6
148 6 2 -2 35.97 71.94 0.328 3.93 4 1.3 0.0
149 2 6 -3 36.031 72.063 0.329 3.91 4 275.0 141.5
150 1 9 2 36.064 72.128 0.329 3.91 4 115.2 24.8
151 3 9 -2 36.145 72.29 0.33 3.89 4 78.8 11.5
152 2 8 2 36.184 72.368 0.33 3.88 4 17.9 0.6
153 4 8 -2 36.306 72.612 0.331 3.86 4 88.7 14.5
154 4 4 -3 36.32 72.639 0.331 3.85 4 16.7 0.5
155 0 12 0 36.45 72.9 0.332 3.83 2 271.1 67.2
156 5 5 1 36.568 73.136 0.333 3.8 4 140.2 35.7
157 6 4 0 36.634 73.269 0.334 3.79 4 18.0 0.6
158 2 0 3 36.951 73.901 0.336 3.73 2 26.8 0.6
159 0 6 3 37.025 74.05 0.337 3.72 4 65.1 7.5
160 4 8 1 37.031 74.063 0.337 3.71 4 15.9 0.4
161 0 10 2 37.29 74.581 0.339 3.67 4 25.7 1.2
162 5 1 -3 37.308 74.615 0.339 3.66 4 21.4 0.8
163 2 10 -2 37.331 74.661 0.339 3.66 4 102.3 18.3
164 1 5 3 37.485 74.97 0.34 3.63 4 77.7 10.5
165 4 4 2 37.526 75.052 0.34 3.62 4 89.6 13.9
166 2 2 3 37.534 75.067 0.341 3.62 4 81.3 11.4
167 3 7 2 37.646 75.292 0.341 3.6 4 47.4 3.9
168 6 4 -2 37.726 75.452 0.342 3.59 4 86.4 12.8
169 5 7 -2 37.806 75.612 0.343 3.58 4 26.1 1.2
170 3 11 0 37.809 75.618 0.343 3.58 4 131.6 29.6
171 1 7 -3 37.901 75.803 0.343 3.56 4 98.9 16.7
172 3 11 -1 38.08 76.161 0.345 3.53 4 61.0 6.3
173 4 10 -1 38.169 76.337 0.345 3.52 4 66.2 7.4
174 0 12 1 38.261 76.522 0.346 3.5 4 56.7 5.4
175 6 6 -1 38.279 76.559 0.346 3.5 4 331.7 184.0
176 4 10 0 38.407 76.814 0.347 3.48 4 83.2 11.5
177 5 3 -3 38.467 76.934 0.348 3.47 4 86.7 12.5
178 2 12 0 38.539 77.078 0.348 3.46 4 15.5 0.4
179 3 7 -3 38.997 77.993 0.352 3.39 4 30.5 1.5
180 6 0 1 39.18 78.36 0.353 3.36 2 19.9 0.3
181 4 6 -3 39.222 78.443 0.353 3.36 4 72.3 8.4
182 2 4 3 39.265 78.53 0.354 3.35 4 4.3 0.0
183 2 12 -1 39.314 78.627 0.354 3.35 4 42.5 2.9
184 7 1 -1 39.451 78.903 0.355 3.33 4 2.0 0.0
185 6 6 0 39.528 79.057 0.356 3.32 4 27.0 1.2
186 5 9 -1 39.576 79.152 0.356 3.31 4 50.5 4.0
187 6 2 1 39.752 79.504 0.357 3.29 4 51.1 4.1
188 1 11 -2 39.819 79.639 0.358 3.28 4 14.6 0.3
189 5 7 1 40.035 80.071 0.36 3.25 4 44.0 3.0
190 2 8 -3 40.086 80.171 0.36 3.24 4 10.7 0.2
191 5 9 0 40.314 80.628 0.362 3.22 4 11.5 0.2
192 4 6 2 40.4 80.799 0.362 3.21 4 9.8 0.1
193 1 13 0 40.574 81.148 0.364 3.19 4 15.8 0.4
194 7 3 -1 40.592 81.184 0.364 3.18 4 43.5 2.9
195 6 6 -2 40.596 81.191 0.364 3.18 4 10.5 0.2
196 5 5 -3 40.755 81.51 0.365 3.17 4 142.6 30.8
197 1 7 3 40.928 81.855 0.366 3.15 4 11.9 0.2
198 5 1 2 41.019 82.037 0.367 3.14 4 218.9 71.9
199 0 8 3 41.048 82.095 0.367 3.13 4 17.5 0.5
200 3 11 1 41.103 82.206 0.367 3.13 4 14.5 0.3
201 7 1 0 41.19 82.381 0.368 3.12 4 100.6 15.1
202 3 1 3 41.19 82.381 0.368 3.12 4 14.6 0.3
203 7 1 -2 41.253 82.506 0.369 3.11 4 19.7 0.6
204 6 0 -3 41.312 82.625 0.369 3.11 2 10.0 0.1
205 2 12 1 41.319 82.638 0.369 3.1 4 37.0 2.0
206 2 10 2 41.369 82.738 0.369 3.1 4 52.6 4.1
207 6 4 1 41.458 82.916 0.37 3.09 4 1.8 0.0
208 4 10 -2 41.486 82.972 0.37 3.09 4 46.6 3.2
209 1 11 2 41.819 83.639 0.373 3.06 4 185.6 50.3
210 1 13 -1 41.837 83.675 0.373 3.05 4 47.2 3.3
211 6 2 -3 41.878 83.756 0.373 3.05 4 52.2 4.0
212 3 11 -2 41.897 83.795 0.373 3.05 4 126.2 23.2
213 2 6 3 42.107 84.214 0.375 3.03 4 156.8 35.6
214 5 3 2 42.15 84.301 0.375 3.02 4 102.3 15.1
215 4 10 1 42.185 84.371 0.375 3.02 4 23.9 0.8
216 3 9 2 42.216 84.432 0.376 3.02 4 20.3 0.6
217 6 8 -1 42.269 84.538 0.376 3.01 4 36.9 2.0
218 7 3 0 42.321 84.642 0.376 3.01 4 44.5 2.8
219 3 3 3 42.321 84.643 0.376 3.01 4 9.9 0.1
220 2 0 -4 42.354 84.709 0.377 3.01 2 8.4 0.1
221 5 9 -2 42.372 84.743 0.377 3.01 4 106.5 16.3
222 7 3 -2 42.384 84.767 0.377 3.0 4 56.5 4.6
223 1 9 -3 42.465 84.93 0.377 3.0 4 70.1 7.0
224 1 13 1 42.831 85.662 0.38 2.97 4 85.3 10.3
225 7 5 -1 42.855 85.709 0.38 2.97 4 188.4 50.3
226 2 2 -4 42.918 85.836 0.381 2.96 4 16.3 0.4
227 1 1 -4 42.962 85.925 0.381 2.96 4 170.2 40.9
228 3 1 -4 43.04 86.08 0.382 2.95 4 60.2 5.1
229 4 8 -3 43.192 86.384 0.383 2.94 4 17.1 0.4
230 6 8 0 43.493 86.987 0.385 2.92 4 45.3 2.9
231 3 9 -3 43.534 87.068 0.385 2.92 4 75.5 7.9
232 0 12 2 43.562 87.124 0.385 2.91 4 116.0 18.8
233 6 4 -3 43.569 87.138 0.385 2.91 4 8.1 0.1
234 2 12 -2 43.601 87.202 0.386 2.91 4 244.4 83.1
235 0 14 0 43.879 87.759 0.387 2.89 2 6.9 0.0
236 1 3 -4 44.088 88.175 0.389 2.88 4 89.3 11.0
237 5 7 -3 44.141 88.282 0.389 2.88 4 27.1 1.0
238 3 3 -4 44.165 88.33 0.389 2.87 4 88.4 10.7
239 6 6 1 44.276 88.551 0.39 2.87 4 81.2 9.0
240 0 0 4 44.298 88.595 0.39 2.87 2 163.3 18.3
241 4 8 2 44.352 88.704 0.391 2.86 4 45.4 2.8
242 5 5 2 44.402 88.804 0.391 2.86 4 53.9 4.0
243 4 12 -1 44.413 88.826 0.391 2.86 4 36.4 1.8
244 4 0 -4 44.453 88.905 0.391 2.86 2 218.6 32.6
245 6 8 -2 44.546 89.091 0.392 2.85 4 66.1 6.0
246 5 9 1 44.554 89.109 0.392 2.85 4 39.8 2.2
247 7 5 0 44.572 89.144 0.392 2.85 4 3.2 0.0
248 3 5 3 44.572 89.145 0.392 2.85 4 46.8 3.0
249 2 4 -4 44.605 89.21 0.393 2.85 4 26.1 0.9
250 3 13 0 44.626 89.252 0.393 2.85 4 7.4 0.1
251 7 5 -2 44.634 89.269 0.393 2.85 4 30.3 1.2
252 4 12 0 44.645 89.289 0.393 2.85 4 68.6 6.4
253 0 2 4 44.86 89.719 0.394 2.84 4 19.0 0.5
254 3 13 -1 44.889 89.778 0.395 2.83 4 19.3 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 0 2 0 5.683 11.366 9.0331 75.0 16.4 16.7 5.6
2 1 1 0 6.089 12.178 8.43218 382.2 83.3 85.0 5.6
3 1 3 0 10.118 20.236 5.09151 9.0 2.0 2.0 5.6
4 1 1 -1 10.483 20.966 4.91609 67.1 14.6 14.8 5.6
5 2 0 0 10.814 21.629 4.7672 12.5 2.7 2.8 5.6
6 0 4 0 11.422 22.845 4.51655 68.4 14.9 15.1 5.6
7 0 2 1 11.579 23.158 4.45623 6.0 1.3 1.3 5.6
8 1 1 1 12.969 25.939 3.98549 29.1 6.3 6.4 5.6
9 1 3 -1 13.273 26.547 3.89581 35.9 7.8 7.9 5.6
10 1 3 1 15.339 30.679 3.38126 326.6 71.2 71.7 5.6
11 2 4 0 15.831 31.663 3.27871 204.3 44.5 44.8 5.6
12 3 1 0 16.604 33.209 3.13007 350.7 76.4 76.8 5.6
13 3 1 -1 17.078 34.157 3.04569 18.5 4.0 4.1 5.7
14 1 5 -1 17.65 35.301 2.95 14.3 3.1 3.1 5.7
15 2 2 1 17.732 35.464 2.93688 174.0 37.9 38.0 5.7
16 3 3 0 18.556 37.112 2.81073 66.8 14.6 14.6 5.7
17 3 3 -1 18.987 37.975 2.74915 170.8 37.2 37.3 5.7
18 1 5 1 19.296 38.592 2.70678 458.8 100.0 100.0 5.7
19 0 6 1 20.156 40.311 2.59587 300.5 65.5 65.4 5.7
20 0 0 2 20.438 40.876 2.56151 16.9 3.7 3.7 5.7
21 2 0 -2 20.497 40.994 2.55444 341.5 74.4 74.3 5.7
22 3 5 0 22.013 44.027 2.38636 41.5 9.0 9.0 5.7
23 3 5 -1 22.389 44.778 2.34833 187.9 41.0 40.7 5.7
24 4 2 -1 22.511 45.021 2.33629 78.1 17.0 16.9 5.7
25 1 7 -1 22.848 45.696 2.30362 72.8 15.9 15.8 5.7
26 3 1 -2 22.931 45.862 2.29572 86.7 18.9 18.8 5.7
27 3 3 1 23.394 46.788 2.25275 13.6 3.0 2.9 5.7
28 0 4 2 23.668 47.337 2.22812 5.7 1.2 1.2 5.7
29 2 4 -2 23.721 47.442 2.22346 44.8 9.8 9.7 5.7
30 1 7 1 24.199 48.399 2.18207 19.2 4.2 4.1 5.7
31 2 6 1 24.441 48.883 2.16178 227.0 49.5 48.9 5.7
32 1 5 -2 24.711 49.421 2.13967 17.1 3.7 3.7 5.7
33 2 0 2 25.964 51.927 2.04308 99.1 21.6 21.3 5.8
34 4 0 -2 26.111 52.222 2.03236 84.1 18.3 18.0 5.8
35 3 5 1 26.34 52.681 2.0159 87.8 19.1 18.8 5.8
36 3 7 0 26.516 53.033 2.00348 19.2 4.2 4.1 5.8
37 3 7 -1 26.844 53.688 1.98081 6.4 1.4 1.4 5.8
38 1 9 0 27.088 54.176 1.96429 37.1 8.1 7.9 5.8
39 3 5 -2 27.319 54.639 1.94893 18.0 3.9 3.9 5.8
40 4 2 1 27.669 55.338 1.9262 9.3 2.0 2.0 5.8
41 5 1 0 28.143 56.286 1.89635 23.1 5.0 4.9 5.8
42 4 6 -1 28.318 56.635 1.88561 25.1 5.5 5.4 5.8
43 1 9 -1 28.604 57.208 1.86831 51.9 11.3 11.1 5.8
44 2 4 2 28.719 57.437 1.86149 12.8 2.8 2.7 5.8
45 4 4 -2 28.856 57.712 1.85337 23.0 5.0 4.9 5.8
46 1 7 -2 28.901 57.803 1.85071 16.4 3.6 3.5 5.8
47 5 3 0 29.474 58.947 1.81792 16.9 3.7 3.6 5.8
48 0 10 0 29.676 59.353 1.80662 18.0 3.9 3.8 5.8
49 5 1 -2 30.533 61.065 1.76065 26.0 5.7 5.5 5.8
50 5 5 -1 31.218 62.436 1.72577 5.8 1.3 1.2 5.8
51 3 3 2 31.628 63.256 1.70567 5.7 1.2 1.2 5.9
52 0 10 1 31.667 63.334 1.70378 5.8 1.3 1.2 5.9
53 3 9 0 31.805 63.61 1.69717 7.4 1.6 1.6 5.9
54 1 3 -3 31.905 63.809 1.69242 71.0 15.5 15.0 5.9
55 2 10 0 31.969 63.938 1.68938 7.1 1.5 1.5 5.9
56 3 9 -1 32.098 64.195 1.68333 9.8 2.1 2.1 5.9
57 0 2 3 32.213 64.426 1.67795 28.7 6.3 6.1 5.9
58 4 6 1 32.839 65.679 1.64942 140.3 30.6 29.5 5.9
59 4 8 0 33.067 66.134 1.63936 39.5 8.6 8.3 5.9
60 1 11 0 33.548 67.096 1.61854 60.3 13.1 12.7 5.9
61 6 0 0 34.255 68.511 1.58907 28.8 6.3 6.0 5.9
62 1 5 -3 34.36 68.721 1.58481 119.6 26.1 25.0 5.9
63 2 10 1 34.944 69.889 1.56161 6.7 1.5 1.4 5.9
64 4 0 2 35.172 70.344 1.5528 39.9 8.7 8.3 5.9
65 6 0 -2 35.377 70.754 1.54496 71.5 15.6 14.9 5.9
66 3 5 -3 35.496 70.993 1.54044 5.1 1.1 1.1 5.9
67 2 6 -3 36.031 72.063 1.5206 141.5 30.8 29.5 5.9
68 1 9 2 36.064 72.128 1.51941 24.8 5.4 5.2 5.9
69 3 9 -2 36.145 72.29 1.51646 11.5 2.5 2.4 5.9
70 4 8 -2 36.306 72.612 1.51067 15.0 3.3 3.1 6.0
71 0 12 0 36.45 72.9 1.50552 67.2 14.6 14.0 6.0
72 5 5 1 36.568 73.136 1.50133 35.7 7.8 7.4 6.0
73 0 6 3 37.025 74.05 1.48541 8.0 1.7 1.7 6.0
74 2 10 -2 37.331 74.661 1.475 18.3 4.0 3.8 6.0
75 1 5 3 37.485 74.97 1.46982 10.5 2.3 2.2 6.0
76 4 4 2 37.526 75.052 1.46844 25.3 5.5 5.2 6.0
77 6 4 -2 37.726 75.452 1.4618 12.8 2.8 2.6 6.0
78 3 11 0 37.809 75.618 1.45907 30.7 6.7 6.4 6.0
79 1 7 -3 37.901 75.803 1.45605 16.7 3.6 3.4 6.0
80 3 11 -1 38.08 76.161 1.45025 6.3 1.4 1.3 6.0
81 4 10 -1 38.169 76.337 1.4474 7.4 1.6 1.5 6.0
82 6 6 -1 38.279 76.559 1.44385 189.4 41.3 39.1 6.0
83 4 10 0 38.407 76.814 1.43979 11.5 2.5 2.4 6.0
84 5 3 -3 38.467 76.934 1.43789 12.5 2.7 2.6 6.0
85 4 6 -3 39.222 78.443 1.41456 8.4 1.8 1.7 6.0
86 5 5 -3 40.755 81.51 1.37014 30.8 6.7 6.3 6.1
87 5 1 2 41.019 82.037 1.36287 72.3 15.8 14.7 6.1
88 7 1 0 41.19 82.381 1.3582 15.4 3.4 3.1 6.1
89 1 11 2 41.819 83.639 1.34145 53.5 11.7 10.9 6.1
90 3 11 -2 41.897 83.795 1.33942 27.2 5.9 5.5 6.1
91 2 6 3 42.107 84.214 1.33398 35.6 7.8 7.2 6.1
92 5 3 2 42.15 84.301 1.33287 15.1 3.3 3.1 6.1
93 5 9 -2 42.372 84.743 1.32721 20.9 4.5 4.2 6.1
94 1 9 -3 42.465 84.93 1.32485 7.0 1.5 1.4 6.1
95 7 5 -1 42.855 85.709 1.31511 60.6 13.2 12.2 6.1
96 1 1 -4 42.962 85.925 1.31245 40.9 8.9 8.3 6.1
97 3 1 -4 43.04 86.08 1.31055 5.1 1.1 1.0 6.1
98 0 12 2 43.562 87.124 1.29793 26.7 5.8 5.4 6.1
99 2 12 -2 43.601 87.202 1.29701 83.1 18.1 16.7 6.2
100 1 3 -4 44.088 88.175 1.28559 11.0 2.4 2.2 6.2
101 3 3 -4 44.165 88.33 1.2838 11.7 2.6 2.4 6.2
102 0 0 4 44.298 88.595 1.28075 27.3 5.9 5.5 6.2
103 5 5 2 44.402 88.804 1.27837 5.8 1.3 1.2 6.2
104 4 0 -4 44.453 88.905 1.27722 32.6 7.1 6.5 6.2
105 6 8 -2 44.546 89.091 1.27511 11.1 2.4 2.2 6.2
106 4 12 0 44.645 89.289 1.27288 7.7 1.7 1.5 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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