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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LAMPROPHYLLITE
3, t-lamprophyllite, f-lamprophyllite, s-lamprophyllite
(Sr,Na,Ca)(2)Na(Na,Mn,Fe,Mg)(2)Ti(3)O(2)[Si(2)O(7)](2)(OH)(2)
Monoclinic C 2/m Z = 2
R =0.04 NR =688
18 .3 .1904
Ref.Str.:
S.V. Krivovichev, T. Ambruster et al. (2003)
* Eur. J. Mineral., 15, 711-718
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 19.215 alpha = 90.0
b = 7.061 beta = 96.8
c = 5.3719 gamma = 90.0
Unit cell volume (cub. angs.) = 723.72
Molar volume ( cub.cm/mol.) = 217.96
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1506 0.0 0.7078 0.0 Ti = 1.00
2 0.0 0.5 0.0 0.0 Ti = 1.00
3 0.1439 0.2846 0.2049 0.0 Si = 1.00
4 0.5 0.259 0.5 0.0 Na = 0.65, Mn = 0.18, Fe = 0.17
5 0.0 0.0 0.0 0.0 Na = 1.00
6 0.2842 0.0 0.2621 0.0 Sr = 0.59, Na = 0.33, Ca = 0.06
7 0.4425 0.0 0.2758 0.0 OH = 1.00
8 0.1748 0.1889 0.4674 0.0 O = 1.00
9 0.1732 0.1875 0.9712 0.0 O = 1.00
10 0.1777 0.5 0.22 0.0 O = 1.00
11 0.0595 0.2965 0.1725 0.0 O = 1.00
12 0.0623 0.0 0.6677 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1506 0.0 0.7078
2 2 0.0 0.5 0.0
3 3 0.1439 0.2846 0.2049
4 4 0.5 0.259 0.5
5 5 0.0 0.0 0.0
6 6 0.2842 0.0 0.2621
7 7 0.4425 0.0 0.2758
8 8 0.1748 0.1889 0.4674
9 9 0.1732 0.1875 0.9712
10 10 0.1777 0.5 0.22
11 11 0.0595 0.2965 0.1725
12 12 0.0623 0.0 0.6677
13 1 0.8494 0.0 0.2922
14 3 0.8561 0.7154 0.7951
15 4 0.5 0.741 0.5
16 6 0.7158 0.0 0.7379
17 7 0.5575 0.0 0.7242
18 8 0.8252 0.8111 0.5326
19 9 0.8268 0.8125 0.0288
20 10 0.8223 0.5 0.78
21 11 0.9405 0.7035 0.8275
22 12 0.9377 0.0 0.3323
23 3 0.1439 0.7154 0.2049
24 8 0.1748 0.8111 0.4674
25 9 0.1732 0.8125 0.9712
26 11 0.0595 0.7035 0.1725
27 3 0.8561 0.2846 0.7951
28 8 0.8252 0.1889 0.5326
29 9 0.8268 0.1875 0.0288
30 11 0.9405 0.2965 0.8275
31 1 0.6506 0.5 0.7078
32 2 0.5 0.0 0.0
33 3 0.6439 0.2154 0.2049
34 4 0.0 0.241 0.5
35 5 0.5 0.5 0.0
36 6 0.7842 0.5 0.2621
37 7 0.9425 0.5 0.2758
38 8 0.6748 0.3111 0.4674
39 9 0.6732 0.3125 0.9712
40 10 0.6777 0.0 0.22
41 11 0.5595 0.2035 0.1725
42 12 0.5623 0.5 0.6677
43 1 0.3494 0.5 0.2922
44 3 0.3561 0.7846 0.7951
45 4 0.0 0.759 0.5
46 6 0.2158 0.5 0.7379
47 7 0.0575 0.5 0.7242
48 8 0.3252 0.6889 0.5326
49 9 0.3268 0.6875 0.0288
50 10 0.3223 0.0 0.78
51 11 0.4405 0.7965 0.8275
52 12 0.4377 0.5 0.3323
53 3 0.6439 0.7846 0.2049
54 8 0.6748 0.6889 0.4674
55 9 0.6732 0.6875 0.9712
56 11 0.5595 0.7965 0.1725
57 3 0.3561 0.2154 0.7951
58 8 0.3252 0.3111 0.5326
59 9 0.3268 0.3125 0.0288
60 11 0.4405 0.2035 0.8275
X-ray density (g/cm cub.) = 3.49
MU (1/cm) = 389.394 Mass attenuation coefficient (cm**2/g) = 111.533
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ti 2.616 5
1.9507 8
1.9491 9
1.6842 12
1.9507 8
1.9491 9
2 Ti 2.616 6
1.9949 11
1.9949 11
1.9949 11
1.9949 11
1.9502 7
1.9502 7
3 Si 2.148 4
1.6122 8
1.5907 9
1.6521 10
1.6126 11
4 Na ,Mn ,Fe 2.856 6
2.3876 7
2.3876 7
2.2432 11
2.2102 12
2.2102 12
2.2432 11
5 Na 2.856 6
2.5096 11
2.2639 12
2.5096 11
2.2639 12
2.5096 11
2.5096 11
6 Sr ,Na ,Ca 3.12 11
3.0343 7
2.8215 8
2.8203 9
2.8215 8
2.8203 9
2.6994 8
2.7118 9
2.7917 10
2.7737 10
2.6994 8
2.7118 9
7 OH 3.36 10
3.07 7
2.7789 11
3.2975 9
3.3124 10
3.298 11
2.8007 11
2.7789 11
3.2975 9
3.298 11
2.8007 11
8 O 3.312 7
2.7102 9
2.6621 9
2.5714 10
2.6767 11
2.8566 12
2.6676 8
2.9966 8
9 O 3.312 8
2.6621 8
2.7102 8
2.5759 10
2.6635 11
2.8512 12
2.6479 9
3.2975 7
3.061 9
10 O 3.312 6
2.5714 8
2.5759 9
2.6741 11
2.5714 8
2.5759 9
2.6741 11
11 O 3.312 8
2.6767 8
2.6635 9
2.6741 10
2.8738 11
2.7677 11
2.7789 7
3.298 7
2.8007 7
12 O 3.312 5
2.8566 8
2.8512 9
2.8209 12
2.8566 8
2.8512 9
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 2 0 0 5.38 10.76 0.052 224.54 2 22.1 42.0
2 1 1 0 7.763 15.526 0.076 106.67 4 13.5 14.9
3 0 0 1 9.653 19.307 0.094 68.21 2 14.0 5.1
4 2 0 -1 10.496 20.993 0.102 57.36 2 11.2 2.7
5 4 0 0 10.808 21.616 0.105 53.98 2 5.2 0.5
6 3 1 0 10.911 21.821 0.106 52.93 4 36.2 53.0
7 2 0 1 11.629 23.258 0.113 46.34 2 11.3 2.3
8 1 1 -1 12.178 24.357 0.118 42.07 4 62.0 123.6
9 1 1 1 12.685 25.371 0.123 38.61 4 42.9 54.3
10 4 0 -1 13.668 27.337 0.132 32.97 2 30.7 11.9
11 3 1 -1 13.98 27.96 0.135 31.43 4 112.4 303.1
12 0 2 0 14.676 29.352 0.142 28.34 2 44.9 21.8
13 3 1 1 15.288 30.577 0.147 25.96 4 102.2 207.3
14 4 0 1 15.423 30.846 0.149 25.48 2 57.0 31.6
15 5 1 0 15.452 30.905 0.149 25.37 4 82.3 131.4
16 2 2 0 15.673 31.346 0.151 24.61 4 53.9 54.5
17 6 0 0 16.336 32.673 0.157 22.5 2 249.7 535.9
18 5 1 -1 17.438 34.876 0.168 19.53 4 121.3 219.5
19 0 2 1 17.687 35.374 0.17 18.93 4 27.0 10.5
20 6 0 -1 18.056 36.113 0.173 18.09 2 94.0 61.1
21 2 2 -1 18.183 36.366 0.174 17.82 4 114.7 179.2
22 4 2 0 18.373 36.746 0.176 17.42 4 86.8 100.1
23 2 2 1 18.89 37.78 0.181 16.38 4 290.3 1054.6
24 5 1 1 19.224 38.448 0.184 15.76 4 139.2 233.2
25 0 0 2 19.595 39.19 0.187 15.11 2 105.0 63.6
26 2 0 -2 19.717 39.434 0.189 14.9 2 232.2 306.9
27 6 0 1 20.126 40.253 0.192 14.23 2 98.6 52.8
28 4 2 -1 20.27 40.54 0.194 14.01 4 160.5 275.7
29 7 1 0 20.595 41.19 0.197 13.52 4 131.9 179.6
30 1 1 -2 20.877 41.754 0.199 13.12 4 10.2 1.0
31 2 0 2 21.024 42.048 0.201 12.91 2 30.1 4.5
32 4 0 -2 21.368 42.735 0.204 12.45 2 155.6 115.1
33 1 1 2 21.51 43.02 0.205 12.27 4 32.1 9.6
34 4 2 1 21.549 43.099 0.205 12.22 4 83.7 65.4
35 3 1 -2 21.735 43.471 0.207 11.98 4 43.8 17.5
36 7 1 -1 21.876 43.752 0.208 11.81 4 79.7 57.3
37 8 0 0 22.027 44.053 0.21 11.63 2 27.6 3.4
38 6 2 0 22.244 44.488 0.212 11.38 4 61.2 32.6
39 1 3 0 22.514 45.028 0.214 11.07 4 8.8 0.6
40 8 0 -1 23.097 46.193 0.219 10.45 2 93.7 35.0
41 3 1 2 23.536 47.073 0.223 10.01 4 83.3 53.1
42 6 2 -1 23.598 47.197 0.224 9.95 4 49.8 18.9
43 4 0 2 23.775 47.549 0.225 9.79 2 78.1 22.8
44 3 3 0 23.905 47.809 0.227 9.67 4 35.7 9.4
45 5 1 -2 23.955 47.911 0.227 9.62 4 73.4 39.6
46 7 1 1 23.957 47.914 0.227 9.62 4 15.9 1.9
47 6 0 -2 24.294 48.587 0.23 9.32 2 123.6 54.4
48 1 3 -1 24.569 49.138 0.232 9.08 4 55.3 21.2
49 1 3 1 24.85 49.699 0.235 8.85 4 58.6 23.2
50 0 2 2 24.854 49.708 0.235 8.85 4 158.8 170.3
51 2 2 -2 24.955 49.911 0.236 8.77 4 130.7 114.4
52 6 2 1 25.296 50.593 0.239 8.5 4 130.2 110.1
53 8 0 1 25.376 50.751 0.24 8.44 2 89.1 25.6
54 3 3 -1 25.603 51.206 0.242 8.27 4 31.7 6.3
55 2 2 2 26.053 52.105 0.246 7.95 4 88.0 47.0
56 9 1 0 26.137 52.274 0.246 7.89 4 116.4 81.6
57 4 2 -2 26.345 52.69 0.248 7.75 4 80.3 38.1
58 3 3 1 26.414 52.829 0.249 7.7 4 35.2 7.3
59 5 3 0 26.519 53.039 0.25 7.63 4 172.7 173.8
60 5 1 2 26.713 53.426 0.251 7.51 4 97.4 54.4
61 8 2 0 26.91 53.82 0.253 7.38 4 13.2 1.0
62 9 1 -1 26.952 53.904 0.253 7.36 4 56.6 18.0
63 7 1 -2 27.286 54.572 0.256 7.15 4 136.4 101.6
64 6 0 2 27.549 55.099 0.259 7.0 2 108.5 31.5
65 8 2 -1 27.839 55.677 0.261 6.83 4 69.2 25.0
66 5 3 -1 27.846 55.692 0.261 6.83 4 84.6 37.3
67 10 0 0 27.956 55.912 0.262 6.77 2 53.8 7.5
68 8 0 -2 28.203 56.407 0.264 6.64 2 97.3 24.0
69 4 2 2 28.434 56.867 0.266 6.51 4 0.5 0.0
70 10 0 -1 28.609 57.218 0.268 6.42 2 69.7 11.9
71 6 2 -2 28.892 57.785 0.27 6.28 4 15.4 1.1
72 5 3 1 29.118 58.236 0.272 6.17 4 94.8 42.4
73 9 1 1 29.262 58.523 0.273 6.11 4 78.9 29.0
74 8 2 1 29.857 59.714 0.278 5.84 4 116.4 60.4
75 2 0 -3 30.046 60.092 0.28 5.75 2 3.3 0.0
76 7 3 0 30.139 60.279 0.281 5.71 4 109.2 52.0
77 0 0 3 30.202 60.405 0.281 5.69 2 12.1 0.3
78 1 3 -2 30.354 60.708 0.282 5.62 4 24.2 2.5
79 0 4 0 30.445 60.889 0.283 5.59 2 322.1 221.3
80 7 1 2 30.805 61.609 0.286 5.44 4 112.9 53.0
81 1 3 2 30.841 61.682 0.287 5.43 4 134.6 75.1
82 3 3 -2 31.016 62.032 0.288 5.36 4 103.7 44.0
83 2 4 0 31.018 62.036 0.288 5.36 4 10.3 0.4
84 1 1 -3 31.03 62.06 0.288 5.36 4 8.3 0.3
85 4 0 -3 31.041 62.083 0.288 5.35 2 10.5 0.2
86 10 0 1 31.08 62.16 0.289 5.34 2 38.2 3.0
87 7 3 -1 31.126 62.251 0.289 5.32 4 43.4 7.7
88 3 1 -3 31.445 62.89 0.292 5.2 4 3.5 0.0
89 2 0 3 31.501 63.002 0.292 5.18 2 38.2 2.9
90 9 1 -2 31.502 63.005 0.292 5.18 4 57.9 13.3
91 1 1 3 31.749 63.499 0.294 5.09 4 55.5 12.0
92 6 2 2 31.827 63.654 0.295 5.07 4 59.7 13.8
93 11 1 0 32.073 64.147 0.297 4.98 4 39.5 5.9
94 8 0 2 32.133 64.265 0.297 4.96 2 17.9 0.6
95 10 2 0 32.2 64.4 0.298 4.94 4 44.2 7.4
96 0 4 1 32.258 64.516 0.298 4.92 4 9.8 0.4
97 8 2 -2 32.427 64.855 0.3 4.86 4 82.6 25.3
98 3 3 2 32.446 64.892 0.3 4.86 4 1.5 0.0
99 11 1 -1 32.559 65.117 0.301 4.82 4 106.2 41.5
100 2 4 -1 32.579 65.157 0.301 4.82 4 36.4 4.9
101 4 4 0 32.703 65.407 0.302 4.78 4 46.0 7.7
102 5 3 -2 32.786 65.573 0.303 4.75 4 10.9 0.4
103 7 3 1 32.788 65.575 0.303 4.75 4 1.7 0.0
104 10 2 -1 32.801 65.603 0.303 4.75 4 62.8 14.3
105 10 0 -2 32.899 65.799 0.304 4.72 2 178.6 57.4
106 5 1 -3 32.969 65.939 0.304 4.69 4 131.9 62.4
107 2 4 1 33.047 66.094 0.305 4.67 4 41.3 6.1
108 6 0 -3 33.129 66.258 0.306 4.65 2 76.4 10.4
109 3 1 3 33.563 67.125 0.309 4.52 4 108.7 40.8
110 4 0 3 33.868 67.735 0.312 4.43 2 56.5 5.4
111 4 4 -1 33.993 67.987 0.313 4.4 4 29.1 2.9
112 2 2 -3 34.135 68.27 0.314 4.36 4 182.9 111.4
113 12 0 0 34.233 68.465 0.314 4.34 2 77.3 9.9
114 0 2 3 34.281 68.562 0.315 4.32 4 214.7 152.3
115 12 0 -1 34.588 69.177 0.317 4.25 2 34.7 1.9
116 9 3 0 34.599 69.199 0.317 4.24 4 85.1 23.5
117 4 4 1 34.908 69.815 0.32 4.17 4 34.9 3.9
118 4 2 -3 35.067 70.134 0.321 4.13 4 34.6 3.8
119 5 3 2 35.089 70.177 0.321 4.12 4 63.7 12.8
120 11 1 1 35.095 70.191 0.321 4.12 4 115.9 42.3
121 10 2 1 35.103 70.206 0.321 4.12 4 186.0 108.9
122 9 3 -1 35.293 70.586 0.323 4.08 4 17.4 0.9
123 6 4 0 35.418 70.836 0.324 4.05 4 113.0 39.4
124 2 2 3 35.5 70.999 0.325 4.03 4 18.7 1.1
125 7 1 -3 35.531 71.062 0.325 4.02 4 54.3 9.0
126 7 3 -2 35.58 71.159 0.325 4.01 4 127.3 49.6
127 9 1 2 35.67 71.34 0.326 3.99 4 15.0 0.7
128 8 2 2 36.096 72.192 0.329 3.9 4 76.7 17.5
129 8 0 -3 36.215 72.43 0.33 3.87 2 76.1 8.6
130 5 1 3 36.389 72.779 0.332 3.84 4 65.9 12.7
131 6 4 -1 36.44 72.881 0.332 3.83 4 72.7 15.4
132 11 1 -2 36.482 72.963 0.332 3.82 4 43.7 5.6
133 10 2 -2 36.823 73.646 0.335 3.75 4 57.2 9.4
134 6 2 -3 37.041 74.083 0.337 3.71 4 113.5 36.5
135 6 0 3 37.208 74.416 0.338 3.68 2 89.2 11.2
136 12 0 1 37.282 74.564 0.339 3.67 2 35.3 1.7
137 9 3 1 37.305 74.609 0.339 3.66 4 20.9 1.2
138 0 4 2 37.419 74.838 0.34 3.64 4 110.1 33.8
139 10 0 2 37.433 74.866 0.34 3.64 2 140.9 27.6
140 2 4 -2 37.499 74.998 0.34 3.63 4 214.5 127.6
141 4 2 3 37.746 75.492 0.342 3.59 4 83.0 18.9
142 6 4 1 37.77 75.54 0.342 3.58 4 78.2 16.7
143 12 2 0 38.095 76.191 0.345 3.53 4 57.6 8.9
144 12 0 -2 38.309 76.619 0.347 3.49 2 59.7 4.8
145 2 4 2 38.378 76.757 0.347 3.48 4 72.5 14.0
146 12 2 -1 38.437 76.873 0.347 3.47 4 267.1 189.3
147 13 1 0 38.496 76.992 0.348 3.46 4 12.2 0.4
148 4 4 -2 38.616 77.232 0.349 3.45 4 80.9 17.2
149 7 3 2 38.683 77.365 0.349 3.44 4 192.2 96.9
150 13 1 -1 38.727 77.454 0.35 3.43 4 77.2 15.6
151 1 3 -3 38.886 77.773 0.351 3.41 4 68.8 12.3
152 9 1 -3 39.049 78.099 0.352 3.38 4 21.2 1.2
153 8 4 0 39.08 78.159 0.352 3.38 4 47.2 5.7
154 3 3 -3 39.262 78.524 0.354 3.35 4 21.6 1.2
155 9 3 -2 39.314 78.629 0.354 3.35 4 145.0 53.7
156 1 5 0 39.428 78.857 0.355 3.33 4 29.5 2.2
157 1 3 3 39.539 79.078 0.356 3.31 4 35.6 3.2
158 11 3 0 39.835 79.67 0.358 3.28 4 92.8 21.5
159 8 4 -1 39.852 79.704 0.358 3.27 4 63.8 10.2
160 8 2 -3 40.004 80.008 0.359 3.25 4 61.4 9.4
161 7 1 3 40.157 80.314 0.36 3.24 4 8.7 0.2
162 10 0 -3 40.223 80.446 0.361 3.23 2 63.6 5.0
163 11 3 -1 40.28 80.56 0.361 3.22 4 39.7 3.9
164 4 4 2 40.354 80.709 0.362 3.21 4 101.0 25.0
165 3 5 0 40.452 80.903 0.363 3.2 4 6.5 0.1
166 5 3 -3 40.659 81.317 0.364 3.18 4 64.4 10.1
167 6 4 -2 40.745 81.49 0.365 3.17 4 39.3 3.7
168 1 5 -1 40.954 81.909 0.366 3.14 4 84.7 17.2
169 6 2 3 40.968 81.936 0.367 3.14 4 64.2 9.9
170 14 0 0 41.019 82.039 0.367 3.14 2 196.6 46.3
171 12 2 1 41.04 82.08 0.367 3.13 4 104.2 26.0
172 14 0 -1 41.139 82.278 0.368 3.12 2 29.0 1.0
173 1 5 1 41.17 82.339 0.368 3.12 4 21.2 1.1
174 10 2 2 41.187 82.374 0.368 3.12 4 10.7 0.3
175 3 3 3 41.208 82.416 0.368 3.12 4 52.1 6.5
176 11 1 2 41.287 82.574 0.369 3.11 4 2.9 0.0
177 8 0 3 41.46 82.92 0.37 3.09 2 60.8 4.4
178 13 1 1 41.54 83.081 0.371 3.08 4 21.7 1.1
179 8 4 1 41.577 83.155 0.371 3.08 4 50.0 5.9
180 3 5 -1 41.755 83.51 0.372 3.06 4 106.9 26.7
181 2 0 -4 41.773 83.546 0.372 3.06 2 196.2 45.0
182 12 2 -2 42.042 84.085 0.374 3.03 4 13.6 0.4
183 0 0 4 42.124 84.249 0.375 3.03 2 219.7 55.8
184 13 1 -2 42.22 84.44 0.376 3.02 4 29.0 1.9
185 3 5 1 42.398 84.796 0.377 3.0 4 99.7 22.8
186 4 0 -4 42.435 84.869 0.377 3.0 2 117.7 15.9
187 5 5 0 42.482 84.964 0.378 3.0 4 19.0 0.8
188 11 3 1 42.644 85.288 0.379 2.98 4 71.1 11.5
189 1 1 -4 42.746 85.492 0.379 2.97 4 30.2 2.1
190 3 1 -4 42.901 85.801 0.381 2.96 4 18.5 0.8
191 7 3 -3 43.056 86.112 0.382 2.95 4 36.8 3.1
192 9 3 2 43.188 86.377 0.383 2.94 4 81.0 14.7
193 6 4 2 43.319 86.637 0.384 2.93 4 36.6 3.0
194 2 0 4 43.485 86.97 0.385 2.92 2 130.4 19.0
195 12 0 2 43.487 86.973 0.385 2.92 2 253.4 71.5
196 11 1 -3 43.488 86.977 0.385 2.92 4 97.3 21.1
197 5 5 -1 43.563 87.126 0.385 2.91 4 99.9 22.2
198 1 1 4 43.6 87.201 0.385 2.91 4 15.9 0.6
199 10 4 0 43.654 87.308 0.386 2.91 4 4.2 0.0
200 8 4 -2 43.86 87.719 0.387 2.89 4 112.1 27.8
201 5 3 3 43.873 87.747 0.387 2.89 4 51.5 5.9
202 10 2 -3 43.923 87.845 0.388 2.89 4 44.7 4.4
203 11 3 -2 43.962 87.923 0.388 2.89 4 100.7 22.4
204 5 1 -4 44.064 88.128 0.389 2.88 4 10.8 0.3
205 6 0 -4 44.103 88.207 0.389 2.88 2 129.8 18.5
206 14 0 1 44.136 88.271 0.389 2.88 2 31.2 1.1
207 10 4 -1 44.199 88.399 0.39 2.87 4 39.5 3.4
208 14 0 -2 44.491 88.983 0.392 2.86 2 137.1 20.5
209 5 5 1 44.63 89.259 0.393 2.85 4 120.9 31.8
210 14 2 0 44.71 89.42 0.393 2.84 4 66.6 9.6
211 14 2 -1 44.828 89.657 0.394 2.84 4 20.9 0.9
212 9 1 3 44.849 89.698 0.394 2.84 4 114.9 28.6
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 2 0 0 5.38 10.76 9.53998 42.0 4.0 4.1 5.6
2 1 1 0 7.763 15.526 6.62208 14.9 1.4 1.4 5.6
3 3 1 0 10.911 21.821 4.72565 53.0 5.0 5.1 5.6
4 1 1 -1 12.178 24.357 4.24004 123.6 11.7 11.9 5.6
5 1 1 1 12.685 25.371 4.07315 54.3 5.1 5.2 5.6
6 4 0 -1 13.668 27.337 3.78524 11.9 1.1 1.1 5.6
7 3 1 -1 13.98 27.96 3.70249 303.1 28.7 29.0 5.6
8 0 2 0 14.676 29.352 3.5305 21.8 2.1 2.1 5.6
9 3 1 1 15.288 30.577 3.39223 207.3 19.7 19.8 5.6
10 4 0 1 15.423 30.846 3.36338 31.6 3.0 3.0 5.6
11 5 1 0 15.452 30.905 3.3571 131.4 12.5 12.5 5.6
12 2 2 0 15.673 31.346 3.31104 54.5 5.2 5.2 5.6
13 6 0 0 16.336 32.673 3.17999 535.9 50.8 51.1 5.6
14 5 1 -1 17.438 34.876 2.98479 219.5 20.8 20.9 5.7
15 6 0 -1 18.056 36.113 2.88579 61.1 5.8 5.8 5.7
16 2 2 -1 18.183 36.366 2.8664 179.2 17.0 17.0 5.7
17 4 2 0 18.373 36.746 2.83776 100.1 9.5 9.5 5.7
18 2 2 1 18.89 37.78 2.76276 1054.6 100.0 100.0 5.7
19 5 1 1 19.224 38.448 2.71659 233.2 22.1 22.1 5.7
20 0 0 2 19.595 39.19 2.66707 63.6 6.0 6.0 5.7
21 2 0 -2 19.717 39.434 2.65123 306.9 29.1 29.1 5.7
22 6 0 1 20.126 40.253 2.59947 52.8 5.0 5.0 5.7
23 4 2 -1 20.27 40.54 2.5818 275.7 26.1 26.1 5.7
24 7 1 0 20.595 41.19 2.54283 179.6 17.0 17.0 5.7
25 4 0 -2 21.368 42.735 2.45494 115.1 10.9 10.9 5.7
26 4 2 1 21.549 43.099 2.43521 65.4 6.2 6.2 5.7
27 3 1 -2 21.735 43.471 2.41538 17.5 1.7 1.7 5.7
28 7 1 -1 21.876 43.752 2.40062 57.3 5.4 5.4 5.7
29 6 2 0 22.244 44.488 2.36282 32.6 3.1 3.1 5.7
30 8 0 -1 23.097 46.193 2.28015 35.0 3.3 3.3 5.7
31 3 1 2 23.536 47.073 2.2399 53.1 5.0 5.0 5.7
32 6 2 -1 23.598 47.197 2.23435 18.9 1.8 1.8 5.7
33 4 0 2 23.775 47.549 2.21872 22.8 2.2 2.1 5.7
34 5 1 -2 23.955 47.911 2.20297 41.4 3.9 3.9 5.7
35 6 0 -2 24.294 48.587 2.17411 54.4 5.2 5.1 5.7
36 1 3 -1 24.569 49.138 2.15126 21.2 2.0 2.0 5.7
37 0 2 2 24.854 49.708 2.12809 193.5 18.3 18.1 5.7
38 2 2 -2 24.955 49.911 2.12002 114.4 10.9 10.7 5.7
39 6 2 1 25.296 50.593 2.09327 110.1 10.4 10.3 5.8
40 8 0 1 25.376 50.751 2.08717 25.6 2.4 2.4 5.8
41 2 2 2 26.053 52.105 2.03657 47.0 4.5 4.4 5.8
42 9 1 0 26.137 52.274 2.03045 81.6 7.7 7.6 5.8
43 4 2 -2 26.345 52.69 2.01556 38.1 3.6 3.6 5.8
44 5 3 0 26.519 53.039 2.00326 173.8 16.5 16.2 5.8
45 5 1 2 26.713 53.426 1.9898 54.4 5.2 5.1 5.8
46 9 1 -1 26.952 53.904 1.97345 18.0 1.7 1.7 5.8
47 7 1 -2 27.286 54.572 1.95114 101.6 9.6 9.5 5.8
48 6 0 2 27.549 55.099 1.93391 31.5 3.0 2.9 5.8
49 5 3 -1 27.846 55.692 1.91494 62.4 5.9 5.8 5.8
50 8 0 -2 28.203 56.407 1.89262 24.0 2.3 2.2 5.8
51 10 0 -1 28.609 57.218 1.868 11.9 1.1 1.1 5.8
52 5 3 1 29.118 58.236 1.83816 42.4 4.0 3.9 5.8
53 9 1 1 29.262 58.523 1.82991 29.0 2.8 2.7 5.8
54 8 2 1 29.857 59.714 1.79668 60.4 5.7 5.6 5.8
55 7 3 0 30.139 60.279 1.78142 52.0 4.9 4.8 5.8
56 0 4 0 30.445 60.889 1.76525 221.3 21.0 20.4 5.8
57 7 1 2 30.805 61.609 1.74661 53.0 5.0 4.9 5.8
58 1 3 2 30.841 61.682 1.74476 75.1 7.1 6.9 5.8
59 3 3 -2 31.016 62.032 1.73588 45.0 4.3 4.1 5.8
60 9 1 -2 31.502 63.005 1.71178 16.2 1.5 1.5 5.9
61 1 1 3 31.749 63.499 1.69983 12.0 1.1 1.1 5.9
62 6 2 2 31.827 63.654 1.69611 13.8 1.3 1.3 5.9
63 8 2 -2 32.427 64.855 1.66805 25.4 2.4 2.3 5.9
64 11 1 -1 32.559 65.117 1.66206 46.4 4.4 4.3 5.9
65 10 2 -1 32.801 65.603 1.65113 14.3 1.4 1.3 5.9
66 10 0 -2 32.899 65.799 1.64675 57.4 5.4 5.3 5.9
67 5 1 -3 32.969 65.939 1.64365 62.4 5.9 5.7 5.9
68 3 1 3 33.563 67.125 1.61792 40.8 3.9 3.7 5.9
69 2 2 -3 34.135 68.27 1.594 111.4 10.6 10.2 5.9
70 0 2 3 34.281 68.562 1.58803 152.3 14.4 13.9 5.9
71 9 3 0 34.599 69.199 1.57522 25.4 2.4 2.3 5.9
72 10 2 1 35.103 70.206 1.55545 167.7 15.9 15.2 5.9
73 6 4 0 35.418 70.836 1.5434 39.4 3.7 3.6 5.9
74 7 3 -2 35.58 71.159 1.53731 49.6 4.7 4.5 5.9
75 8 2 2 36.096 72.192 1.51825 17.5 1.7 1.6 5.9
76 5 1 3 36.389 72.779 1.50768 12.7 1.2 1.2 6.0
77 6 4 -1 36.44 72.881 1.50586 15.4 1.5 1.4 6.0
78 6 2 -3 37.041 74.083 1.48484 36.5 3.5 3.3 6.0
79 6 0 3 37.208 74.416 1.47915 11.2 1.1 1.0 6.0
80 0 4 2 37.419 74.838 1.47203 61.4 5.8 5.5 6.0
81 2 4 -2 37.499 74.998 1.46935 127.6 12.1 11.5 6.0
82 4 2 3 37.746 75.492 1.46114 35.6 3.4 3.2 6.0
83 2 4 2 38.378 76.757 1.4407 14.0 1.3 1.3 6.0
84 12 2 -1 38.437 76.873 1.43886 189.3 17.9 17.0 6.0
85 4 4 -2 38.616 77.232 1.4332 17.2 1.6 1.5 6.0
86 7 3 2 38.683 77.365 1.43112 96.9 9.2 8.7 6.0
87 13 1 -1 38.727 77.454 1.42974 15.6 1.5 1.4 6.0
88 1 3 -3 38.886 77.773 1.42481 12.3 1.2 1.1 6.0
89 9 3 -2 39.314 78.629 1.41177 53.7 5.1 4.8 6.0
90 11 3 0 39.835 79.67 1.39633 31.7 3.0 2.8 6.0
91 4 4 2 40.354 80.709 1.38138 25.0 2.4 2.2 6.1
92 1 5 -1 40.954 81.909 1.36463 27.1 2.6 2.4 6.1
93 14 0 0 41.019 82.039 1.36285 72.3 6.9 6.4 6.1
94 2 0 -4 41.773 83.546 1.34266 71.7 6.8 6.3 6.1
95 0 0 4 42.124 84.249 1.33354 55.8 5.3 4.9 6.1
96 3 5 1 42.398 84.796 1.32654 22.8 2.2 2.0 6.1
97 4 0 -4 42.435 84.869 1.32562 15.9 1.5 1.4 6.1
98 11 3 1 42.644 85.288 1.32035 11.5 1.1 1.0 6.1
99 9 3 2 43.188 86.377 1.30693 14.7 1.4 1.3 6.1
100 11 1 -3 43.488 86.977 1.29969 111.6 10.6 9.8 6.1
101 5 5 -1 43.563 87.126 1.29792 22.2 2.1 1.9 6.1
102 8 4 -2 43.86 87.719 1.2909 33.6 3.2 2.9 6.2
103 11 3 -2 43.962 87.923 1.28852 22.4 2.1 2.0 6.2
104 6 0 -4 44.103 88.207 1.28522 18.5 1.8 1.6 6.2
105 14 0 -2 44.491 88.983 1.27634 20.5 1.9 1.8 6.2
106 5 5 1 44.63 89.259 1.27322 31.8 3.0 2.8 6.2
107 9 1 3 44.849 89.698 1.2683 28.6 2.7 2.5 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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