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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OMPHACITE
1, t-omphacite, f-pyroxenes, sf-Ca-Na-pyroxenes, s-augite
(Ca,Na)(Mg,Al,Fe)Si(2)O(6)
Monoclinic P 2/n Z = 4
R =0.039 NR =1012
23 .10 .1989
Ref.Str.:
A. Mottana, G. Rossi, A. Kracher, G. Kurat (1979)
* Tchermaks. Min. Petr. Mitt., 26, 187-201
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.578 alpha = 90.0
b = 8.772 beta = 106.89
c = 5.253 gamma = 90.0
Unit cell volume (cub. angs.) = 422.31
Molar volume ( cub.cm/mol.) = 63.59
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5389 0.3465 0.2268 0.0 Si = 1.00
2 0.5372 0.1615 0.7301 0.0 Si = 1.00
3 0.3635 0.3372 0.1234 0.0 O = 1.00
4 0.3612 0.1756 0.6461 0.0 O = 1.00
5 0.6134 0.5085 0.3084 0.0 O = 1.00
6 0.6064 0.9976 0.8051 0.0 O = 1.00
7 0.6052 0.2655 0.0032 0.0 O = 1.00
8 0.5989 0.2393 0.4974 0.0 O = 1.00
9 0.25 0.3476 0.75 0.0 Al = 0.9 , Fe = 0.09
10 0.25 0.1583 0.25 0.0 Mg = 0.94, Fe = 0.06
11 0.25 0.5527 0.25 0.0 Na = 0.72, Ca = 0.28
12 0.25 0.9497 0.75 0.0 Ca = 0.67, Na = 0.33
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5389 0.3465 0.2268
2 2 0.5372 0.1615 0.7301
3 3 0.3635 0.3372 0.1234
4 4 0.3612 0.1756 0.6461
5 5 0.6134 0.5085 0.3084
6 6 0.6064 0.9976 0.8051
7 7 0.6052 0.2655 0.0032
8 8 0.5989 0.2393 0.4974
9 9 0.25 0.3476 0.75
10 10 0.25 0.1583 0.25
11 11 0.25 0.5527 0.25
12 12 0.25 0.9497 0.75
13 1 0.4611 0.6535 0.7732
14 2 0.4628 0.8385 0.2699
15 3 0.6365 0.6628 0.8766
16 4 0.6388 0.8244 0.3539
17 5 0.3866 0.4915 0.6916
18 6 0.3936 0.0024 0.1949
19 7 0.3948 0.7345 0.9968
20 8 0.4011 0.7607 0.5026
21 9 0.75 0.6524 0.25
22 10 0.75 0.8417 0.75
23 11 0.75 0.4473 0.75
24 12 0.75 0.0503 0.25
25 1 0.9611 0.3465 0.2732
26 2 0.9628 0.1615 0.7699
27 3 0.1365 0.3372 0.3766
28 4 0.1388 0.1756 0.8539
29 5 0.8866 0.5085 0.1916
30 6 0.8936 0.9976 0.6949
31 7 0.8948 0.2655 0.4968
32 8 0.9011 0.2393 0.0026
33 1 0.0389 0.6535 0.7268
34 2 0.0372 0.8385 0.2301
35 3 0.8635 0.6628 0.6234
36 4 0.8612 0.8244 0.1461
37 5 0.1134 0.4915 0.8084
38 6 0.1064 0.0024 0.3051
39 7 0.1052 0.7345 0.5032
40 8 0.0989 0.7607 0.9974
X-ray density (g/cm cub.) = 3.32
MU (1/cm) = 219.653 Mass attenuation coefficient (cm**2/g) = 66.111
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6105 3
1.592 5
1.6496 7
1.6615 8
2 Si 2.1 4
1.6185 4
1.5843 6
1.6648 7
1.652 8
3 O 3.264 11
3.0958 4
2.8748 4
2.7531 5
2.6463 7
2.6659 8
3.2258 5
2.7051 5
2.9642 6
2.8595 3
2.622 4
2.8293 5
4 O 3.264 11
2.8748 3
3.0958 3
2.7407 6
2.6561 7
2.6719 8
2.7859 5
3.1931 6
2.9068 6
2.622 3
2.6609 4
2.9888 6
5 O 3.264 9
2.7531 3
2.6546 7
2.581 8
3.2258 3
2.7051 3
2.7859 4
3.0003 7
2.856 5
2.8293 3
6 O 3.264 10
2.7407 4
2.5715 7
2.6543 8
2.9642 3
3.1931 4
2.9068 4
3.261 6
2.9824 8
2.9711 6
2.9888 4
7 O 3.264 9
2.6463 3
2.6561 4
2.6546 5
2.5715 6
2.6243 8
2.6501 8
3.0003 5
3.1997 7
2.8443 8
8 O 3.264 8
2.6659 3
2.6719 4
2.581 5
2.6543 6
2.6501 7
2.6243 7
2.9824 6
2.8443 7
9 Al ,Fe 2.592 6
1.949 3
2.0116 4
1.9059 5
1.949 3
2.0116 4
1.9059 5
10 Mg ,Fe 2.592 6
2.1229 3
2.0492 4
2.0192 6
2.1229 3
2.0492 4
2.0192 6
11 Na ,Ca 2.88 8
2.3702 3
2.3701 5
2.7033 7
2.4634 8
2.3702 3
2.3701 5
2.7033 7
2.4634 8
12 Ca ,Na 2.88 8
2.3868 4
2.3874 6
2.4745 7
2.7613 8
2.3868 4
2.3874 6
2.4745 7
2.7613 8
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 1 0 5.852 11.705 0.057 189.38 2 1.2 0.3
2 1 1 0 8.114 16.228 0.079 97.44 4 8.7 16.5
3 1 0 -1 10.157 20.315 0.099 61.39 2 14.5 14.6
4 2 0 0 11.256 22.512 0.109 49.6 2 3.1 0.5
5 1 1 -1 11.754 23.508 0.114 45.31 4 13.9 19.5
6 0 2 0 11.767 23.534 0.114 45.21 2 41.7 88.3
7 0 1 1 11.835 23.67 0.115 44.66 4 4.3 1.9
8 2 1 0 12.722 25.444 0.123 38.37 4 2.7 0.6
9 1 2 0 13.067 26.133 0.126 36.27 4 6.1 3.0
10 1 0 1 13.089 26.177 0.127 36.14 2 9.2 3.4
11 2 1 -1 14.177 28.353 0.137 30.51 4 0.1 0.0
12 1 1 1 14.38 28.761 0.139 29.6 4 0.9 0.1
13 1 2 -1 15.641 31.282 0.151 24.72 4 4.5 1.1
14 0 2 1 15.704 31.407 0.151 24.51 4 38.3 80.4
15 2 2 0 16.397 32.794 0.158 22.32 4 53.0 140.9
16 3 0 -1 17.167 34.334 0.165 20.21 2 8.9 1.8
17 2 2 -1 17.575 35.149 0.169 19.2 4 141.7 864.5
18 1 2 1 17.743 35.486 0.17 18.8 4 1.7 0.1
19 0 3 0 17.812 35.625 0.171 18.64 2 6.4 0.9
20 3 1 0 18.062 36.123 0.173 18.08 4 85.9 299.5
21 3 1 -1 18.196 36.393 0.175 17.79 4 79.1 249.6
22 2 1 1 18.468 36.936 0.177 17.22 4 1.2 0.1
23 1 3 0 18.729 37.458 0.179 16.69 4 3.8 0.5
24 2 0 -2 20.653 41.306 0.197 13.44 2 38.1 21.9
25 1 3 -1 20.677 41.354 0.197 13.4 4 79.7 191.1
26 0 3 1 20.726 41.452 0.198 13.33 4 7.4 1.6
27 1 1 -2 20.826 41.653 0.199 13.19 4 7.8 1.8
28 0 0 2 20.849 41.698 0.199 13.16 2 153.4 347.0
29 3 2 0 20.905 41.809 0.199 13.08 4 4.0 0.5
30 3 2 -1 21.024 42.048 0.201 12.91 4 3.8 0.4
31 2 2 1 21.265 42.53 0.203 12.59 4 107.9 328.9
32 2 3 0 21.277 42.554 0.203 12.57 4 2.9 0.2
33 2 1 -2 21.54 43.08 0.205 12.23 4 4.8 0.6
34 0 1 2 21.729 43.459 0.207 11.99 4 5.8 0.9
35 2 3 -1 22.232 44.465 0.212 11.39 4 5.0 0.6
36 1 3 1 22.371 44.742 0.213 11.23 4 18.4 8.5
37 3 0 1 22.599 45.198 0.215 10.98 2 2.8 0.1
38 4 0 0 22.979 45.957 0.218 10.57 2 9.2 1.0
39 4 1 -1 23.114 46.227 0.219 10.43 4 3.2 0.2
40 1 2 -2 23.39 46.78 0.222 10.16 4 3.1 0.2
41 3 1 1 23.427 46.853 0.222 10.12 4 74.1 124.7
42 3 1 -2 23.753 47.506 0.225 9.81 4 3.9 0.3
43 4 1 0 23.796 47.592 0.226 9.77 4 6.2 0.8
44 2 2 -2 24.043 48.086 0.228 9.54 4 17.8 6.8
45 0 4 0 24.071 48.142 0.228 9.52 2 3.9 0.2
46 1 1 2 24.103 48.206 0.228 9.49 4 72.0 110.2
47 0 2 2 24.217 48.434 0.229 9.39 4 60.3 76.6
48 1 4 0 24.796 49.591 0.234 8.89 4 9.9 1.9
49 3 3 0 25.052 50.104 0.237 8.69 4 57.3 64.0
50 3 3 -1 25.156 50.312 0.238 8.61 4 86.7 145.1
51 2 3 1 25.366 50.732 0.239 8.45 4 1.2 0.0
52 4 2 -1 25.496 50.993 0.241 8.35 4 60.8 69.2
53 3 2 1 25.788 51.575 0.243 8.13 4 8.4 1.3
54 3 2 -2 26.092 52.184 0.246 7.92 4 4.5 0.4
55 4 2 0 26.132 52.265 0.246 7.89 4 18.4 6.0
56 1 4 -1 26.383 52.765 0.248 7.72 4 4.0 0.3
57 1 2 2 26.419 52.838 0.249 7.7 4 5.4 0.5
58 0 4 1 26.423 52.847 0.249 7.7 4 95.8 158.6
59 4 0 -2 26.446 52.891 0.249 7.68 2 99.3 85.0
60 2 4 0 26.883 53.766 0.253 7.4 4 7.7 1.0
61 2 0 2 26.931 53.862 0.253 7.37 2 74.9 46.4
62 4 1 -2 27.186 54.371 0.255 7.21 4 3.1 0.2
63 1 3 -2 27.246 54.491 0.256 7.18 4 52.9 45.0
64 2 1 2 27.662 55.324 0.26 6.93 4 0.9 0.0
65 2 4 -1 27.691 55.381 0.26 6.92 4 36.1 20.2
66 1 4 1 27.809 55.617 0.261 6.85 4 6.1 0.6
67 2 3 -2 27.832 55.664 0.261 6.84 4 3.9 0.2
68 5 0 -1 27.926 55.852 0.262 6.79 2 1.1 0.0
69 0 3 2 27.989 55.978 0.262 6.75 4 3.5 0.2
70 5 1 -1 28.64 57.28 0.268 6.41 4 25.7 9.5
71 4 1 1 28.986 57.972 0.271 6.24 4 1.6 0.0
72 4 3 -1 29.151 58.302 0.272 6.16 4 1.7 0.0
73 4 2 -2 29.329 58.658 0.274 6.07 4 28.6 11.2
74 3 3 1 29.417 58.835 0.275 6.03 4 32.8 14.6
75 3 3 -2 29.696 59.392 0.277 5.91 4 15.9 3.3
76 4 3 0 29.733 59.466 0.277 5.89 4 0.9 0.0
77 2 2 2 29.783 59.566 0.278 5.87 4 33.6 14.9
78 5 1 0 29.902 59.805 0.279 5.82 4 62.7 51.3
79 1 3 2 29.997 59.994 0.279 5.77 4 42.1 22.9
80 3 4 0 30.138 60.275 0.281 5.71 4 2.3 0.1
81 3 4 -1 30.229 60.459 0.281 5.68 4 0.5 0.0
82 2 4 1 30.416 60.831 0.283 5.6 4 19.5 4.8
83 0 5 0 30.653 61.306 0.285 5.5 2 16.2 1.6
84 5 2 -1 30.718 61.436 0.286 5.48 4 5.9 0.4
85 1 0 -3 30.934 61.869 0.287 5.39 2 8.0 0.4
86 4 2 1 31.049 62.099 0.288 5.35 4 21.8 5.7
87 1 5 0 31.272 62.543 0.29 5.27 4 91.1 98.0
88 2 1 -3 31.496 62.993 0.292 5.18 4 6.8 0.5
89 5 1 -2 31.582 63.163 0.293 5.15 4 33.1 12.7
90 1 1 -3 31.606 63.211 0.293 5.14 4 6.4 0.5
91 5 2 0 31.93 63.86 0.296 5.03 4 0.7 0.0
92 3 0 -3 31.942 63.884 0.296 5.03 2 4.1 0.1
93 1 4 -2 32.099 64.198 0.297 4.97 4 4.4 0.2
94 3 1 2 32.161 64.322 0.298 4.95 4 31.4 10.9
95 3 1 -3 32.602 65.203 0.301 4.81 4 70.8 54.0
96 2 4 -2 32.631 65.261 0.301 4.8 4 15.9 2.7
97 1 5 -1 32.648 65.296 0.302 4.79 4 30.4 9.9
98 0 5 1 32.684 65.368 0.302 4.78 4 0.1 0.0
99 4 3 -2 32.703 65.407 0.302 4.78 4 8.9 0.9
100 0 4 2 32.773 65.547 0.303 4.75 4 64.5 44.4
101 0 1 3 32.923 65.845 0.304 4.71 4 8.0 0.7
102 2 5 0 33.088 66.176 0.305 4.66 4 3.4 0.1
103 2 3 2 33.13 66.261 0.306 4.65 4 2.5 0.1
104 2 2 -3 33.469 66.939 0.308 4.55 4 116.7 138.8
105 5 2 -2 33.552 67.104 0.309 4.52 4 6.8 0.5
106 1 2 -3 33.575 67.15 0.309 4.52 4 6.3 0.4
107 2 5 -1 33.803 67.607 0.311 4.45 4 10.7 1.1
108 4 4 -1 33.837 67.674 0.311 4.44 4 0.7 0.0
109 1 5 1 33.909 67.817 0.312 4.42 4 7.8 0.6
110 5 3 -1 34.013 68.027 0.313 4.4 4 118.6 138.7
111 3 4 1 34.082 68.164 0.313 4.38 4 3.7 0.1
112 3 2 2 34.113 68.227 0.314 4.37 4 5.8 0.3
113 4 3 1 34.328 68.656 0.315 4.31 4 6.1 0.4
114 3 4 -2 34.339 68.679 0.315 4.31 4 2.1 0.0
115 4 4 0 34.374 68.747 0.316 4.3 4 79.0 60.2
116 5 0 1 34.466 68.931 0.316 4.28 2 1.9 0.0
117 3 2 -3 34.542 69.083 0.317 4.26 4 5.5 0.3
118 1 4 2 34.618 69.235 0.318 4.24 4 8.3 0.7
119 6 1 -1 34.721 69.442 0.318 4.21 4 2.5 0.1
120 1 0 3 34.744 69.489 0.319 4.21 2 7.9 0.3
121 0 2 3 34.854 69.707 0.319 4.18 4 13.1 1.6
122 4 1 -3 34.86 69.721 0.32 4.18 4 2.7 0.1
123 5 1 1 35.101 70.203 0.321 4.12 4 13.2 1.6
124 5 3 0 35.165 70.331 0.322 4.11 4 33.8 10.5
125 1 1 3 35.378 70.756 0.324 4.06 4 9.5 0.8
126 6 0 0 35.844 71.688 0.327 3.95 2 83.0 30.6
127 3 5 0 36.01 72.02 0.329 3.92 4 72.3 45.9
128 3 5 -1 36.094 72.188 0.329 3.9 4 13.3 1.5
129 6 0 -2 36.179 72.359 0.33 3.88 2 104.7 47.7
130 2 5 1 36.264 72.529 0.331 3.86 4 3.4 0.1
131 6 1 0 36.469 72.939 0.332 3.82 4 4.3 0.2
132 6 2 -1 36.608 73.215 0.333 3.8 4 48.5 20.0
133 2 3 -3 36.639 73.277 0.334 3.79 4 4.3 0.2
134 5 3 -2 36.718 73.436 0.334 3.77 4 29.1 7.2
135 1 3 -3 36.74 73.48 0.334 3.77 4 119.7 121.1
136 4 2 -3 36.744 73.488 0.334 3.77 4 28.2 6.7
137 6 1 -2 36.802 73.605 0.335 3.76 4 1.0 0.0
138 4 0 2 36.858 73.716 0.335 3.75 2 116.9 57.4
139 5 2 1 36.98 73.96 0.336 3.72 4 5.7 0.3
140 4 4 -2 37.15 74.299 0.338 3.69 4 13.1 1.4
141 1 2 3 37.251 74.501 0.338 3.67 4 1.5 0.0
142 3 3 2 37.258 74.517 0.338 3.67 4 7.9 0.5
143 4 1 2 37.477 74.954 0.34 3.63 4 2.2 0.0
144 2 4 2 37.554 75.107 0.341 3.62 4 37.5 11.4
145 5 0 -3 37.569 75.138 0.341 3.62 2 0.9 0.0
146 3 3 -3 37.671 75.342 0.342 3.6 4 27.4 6.0
147 0 6 0 37.72 75.44 0.342 3.59 2 104.5 44.0
148 1 5 -2 37.817 75.634 0.343 3.57 4 6.5 0.3
149 0 3 3 37.973 75.946 0.344 3.55 4 3.7 0.1
150 5 1 -3 38.184 76.367 0.346 3.51 4 30.1 7.2
151 1 6 0 38.283 76.565 0.346 3.5 4 2.4 0.0
152 2 5 -2 38.312 76.625 0.347 3.49 4 7.1 0.4
153 6 2 0 38.322 76.643 0.347 3.49 4 19.4 2.9
154 5 4 -1 38.392 76.785 0.347 3.48 4 8.1 0.5
155 0 5 2 38.446 76.892 0.348 3.47 4 16.4 2.1
156 6 2 -2 38.649 77.298 0.349 3.44 4 47.8 17.6
157 4 4 1 38.692 77.384 0.349 3.43 4 29.5 6.7
158 2 1 3 38.883 77.766 0.351 3.41 4 2.7 0.1
159 4 2 2 39.313 78.626 0.354 3.35 4 55.0 22.7
160 4 5 -1 39.444 78.888 0.355 3.33 4 12.0 1.1
161 5 4 0 39.494 78.987 0.356 3.32 4 4.0 0.1
162 1 6 -1 39.547 79.095 0.356 3.31 4 2.7 0.1
163 0 6 1 39.58 79.161 0.356 3.31 4 40.9 12.4
164 6 3 -1 39.675 79.35 0.357 3.3 4 2.3 0.0
165 3 5 1 39.675 79.351 0.357 3.3 4 25.3 4.7
166 4 3 -3 39.808 79.616 0.358 3.28 4 2.5 0.0
167 3 5 -2 39.919 79.837 0.359 3.26 4 119.6 104.8
168 4 5 0 39.951 79.902 0.359 3.26 4 6.5 0.3
169 2 6 0 39.955 79.91 0.359 3.26 4 28.5 5.9
170 5 2 -3 40.01 80.02 0.359 3.25 4 5.4 0.2
171 5 3 1 40.038 80.076 0.36 3.25 4 148.4 160.6
172 1 5 2 40.182 80.365 0.361 3.23 4 60.2 26.3
173 1 3 3 40.302 80.605 0.362 3.22 4 14.1 1.4
174 2 6 -1 40.622 81.244 0.364 3.18 4 13.0 1.2
175 2 2 3 40.701 81.401 0.365 3.17 4 83.8 49.9
176 1 6 1 40.721 81.441 0.365 3.17 4 2.7 0.1
177 7 0 -1 40.846 81.692 0.366 3.15 2 1.4 0.0
178 2 4 -3 40.913 81.826 0.366 3.15 4 50.2 17.8
179 5 4 -2 40.99 81.98 0.367 3.14 4 2.8 0.1
180 1 4 -3 41.011 82.023 0.367 3.14 4 9.0 0.6
181 6 3 0 41.351 82.702 0.369 3.1 4 9.8 0.7
182 7 1 -1 41.447 82.895 0.37 3.09 4 30.0 6.2
183 3 4 2 41.514 83.027 0.371 3.08 4 5.9 0.2
184 6 3 -2 41.672 83.344 0.372 3.07 4 9.7 0.7
185 6 1 1 41.872 83.745 0.373 3.05 4 4.1 0.1
186 3 4 -3 41.915 83.83 0.373 3.05 4 4.8 0.2
187 0 4 3 42.209 84.418 0.376 3.02 4 38.8 10.2
188 4 3 2 42.325 84.65 0.376 3.01 4 6.1 0.2
189 6 1 -3 42.513 85.027 0.378 2.99 4 2.3 0.0
190 4 5 -2 42.606 85.213 0.378 2.99 4 2.1 0.0
191 3 6 0 42.708 85.415 0.379 2.98 4 3.3 0.1
192 3 6 -1 42.788 85.575 0.38 2.97 4 2.9 0.1
193 3 0 3 42.795 85.59 0.38 2.97 2 11.0 0.4
194 7 1 -2 42.85 85.7 0.38 2.97 4 107.4 76.7
195 2 0 -4 42.938 85.875 0.381 2.96 2 13.0 0.6
196 2 6 1 42.95 85.901 0.381 2.96 4 9.1 0.5
197 2 5 2 42.997 85.994 0.381 2.95 4 0.3 0.0
198 5 3 -3 43.012 86.024 0.381 2.95 4 72.4 34.7
199 7 2 -1 43.243 86.485 0.383 2.94 4 3.7 0.1
200 3 1 3 43.392 86.784 0.384 2.93 4 34.0 7.6
201 2 1 -4 43.535 87.069 0.385 2.92 4 1.7 0.0
202 5 1 2 43.631 87.262 0.386 2.91 4 38.1 9.4
203 6 2 1 43.665 87.33 0.386 2.91 4 77.0 38.7
204 7 1 0 43.689 87.378 0.386 2.9 4 44.6 13.0
205 2 3 3 43.695 87.39 0.386 2.9 4 3.2 0.1
206 5 5 -1 43.812 87.624 0.387 2.9 4 16.9 1.8
207 6 4 -1 43.876 87.751 0.387 2.89 4 11.8 0.9
208 3 1 -4 43.951 87.902 0.388 2.89 4 89.5 51.9
209 4 4 -3 44.006 88.013 0.388 2.88 4 28.0 5.1
210 4 5 1 44.104 88.209 0.389 2.88 4 5.2 0.2
211 1 1 -4 44.211 88.422 0.39 2.87 4 53.9 18.7
212 5 4 1 44.233 88.466 0.39 2.87 4 10.9 0.8
213 6 2 -3 44.304 88.607 0.39 2.87 4 9.6 0.6
214 1 6 -2 44.445 88.89 0.391 2.86 4 8.3 0.4
215 1 4 3 44.494 88.987 0.392 2.86 4 2.8 0.1
216 7 2 -2 44.639 89.279 0.393 2.85 4 5.6 0.2
217 4 0 -4 44.863 89.726 0.394 2.84 2 67.9 14.6
218 5 5 0 44.889 89.778 0.395 2.83 4 12.0 0.9
219 2 6 -2 44.926 89.852 0.395 2.83 4 71.9 32.8
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 8.114 16.228 6.33707 16.5 1.9 1.9 5.6
2 1 0 -1 10.157 20.315 5.07199 14.6 1.7 1.7 5.6
3 0 2 0 11.767 23.534 4.386 107.8 12.5 12.6 5.6
4 0 2 1 15.704 31.407 3.30474 80.4 9.3 9.3 5.6
5 2 2 0 16.397 32.794 3.16854 140.9 16.3 16.3 5.6
6 2 2 -1 17.575 35.149 2.96228 864.5 100.0 100.0 5.7
7 3 1 0 18.062 36.123 2.885 299.5 34.6 34.6 5.7
8 3 1 -1 18.196 36.393 2.86434 249.6 28.9 28.8 5.7
9 1 3 -1 20.677 41.354 2.53319 213.1 24.6 24.5 5.7
10 0 0 2 20.849 41.698 2.5132 348.9 40.4 40.1 5.7
11 2 2 1 21.265 42.53 2.46621 329.2 38.1 37.8 5.7
12 3 1 1 23.427 46.853 2.24979 124.7 14.4 14.3 5.7
13 1 1 2 24.103 48.206 2.19027 110.2 12.7 12.6 5.7
14 0 2 2 24.217 48.434 2.18059 76.6 8.9 8.7 5.7
15 3 3 0 25.052 50.104 2.11236 64.0 7.4 7.3 5.7
16 3 3 -1 25.156 50.312 2.10421 145.1 16.8 16.5 5.8
17 4 2 -1 25.496 50.993 2.07794 69.2 8.0 7.9 5.8
18 0 4 1 26.423 52.847 2.01002 243.5 28.2 27.6 5.8
19 2 0 2 26.931 53.862 1.97488 46.4 5.4 5.3 5.8
20 1 3 -2 27.246 54.491 1.9538 45.0 5.2 5.1 5.8
21 2 4 -1 27.691 55.381 1.92483 20.2 2.3 2.3 5.8
22 5 1 -1 28.64 57.28 1.86616 9.5 1.1 1.1 5.8
23 4 2 -2 29.329 58.658 1.82609 11.2 1.3 1.3 5.8
24 3 3 1 29.417 58.835 1.82109 14.6 1.7 1.6 5.8
25 2 2 2 29.783 59.566 1.80075 14.9 1.7 1.7 5.8
26 5 1 0 29.902 59.805 1.79422 51.3 5.9 5.8 5.8
27 1 3 2 29.997 59.994 1.78909 22.9 2.7 2.6 5.8
28 1 5 0 31.272 62.543 1.72311 98.0 11.3 11.0 5.8
29 5 1 -2 31.582 63.163 1.70792 13.2 1.5 1.5 5.9
30 3 1 2 32.161 64.322 1.68037 10.9 1.3 1.2 5.9
31 3 1 -3 32.602 65.203 1.66011 56.7 6.6 6.3 5.9
32 1 5 -1 32.648 65.296 1.65801 9.9 1.2 1.1 5.9
33 0 4 2 32.773 65.547 1.65237 44.4 5.1 4.9 5.9
34 2 2 -3 33.469 66.939 1.62189 138.8 16.1 15.4 5.9
35 5 3 -1 34.013 68.027 1.599 138.7 16.0 15.4 5.9
36 4 4 0 34.374 68.747 1.58427 60.2 7.0 6.7 5.9
37 5 3 0 35.165 70.331 1.55305 10.5 1.2 1.2 5.9
38 6 0 0 35.844 71.688 1.52747 30.6 3.5 3.4 5.9
39 3 5 0 36.01 72.02 1.52137 45.9 5.3 5.1 5.9
40 6 0 -2 36.179 72.359 1.51523 47.7 5.5 5.2 5.9
41 6 2 -1 36.608 73.215 1.49994 20.0 2.3 2.2 6.0
42 1 3 -3 36.74 73.48 1.49528 135.0 15.6 14.8 6.0
43 4 0 2 36.858 73.716 1.49117 57.4 6.6 6.3 6.0
44 2 4 2 37.554 75.107 1.46752 11.4 1.3 1.3 6.0
45 0 6 0 37.72 75.44 1.462 44.0 5.1 4.8 6.0
46 6 2 -2 38.649 77.298 1.43217 17.6 2.0 1.9 6.0
47 4 2 2 39.313 78.626 1.41181 22.7 2.6 2.5 6.0
48 0 6 1 39.58 79.161 1.40382 12.4 1.4 1.3 6.0
49 3 5 -2 39.919 79.837 1.39389 104.8 12.1 11.4 6.0
50 5 3 1 40.038 80.076 1.39043 160.6 18.6 17.4 6.0
51 1 5 2 40.182 80.365 1.38628 26.3 3.0 2.8 6.0
52 2 2 3 40.701 81.401 1.37165 50.0 5.8 5.4 6.1
53 2 4 -3 40.913 81.826 1.36577 17.8 2.1 1.9 6.1
54 0 4 3 42.209 84.418 1.33137 10.2 1.2 1.1 6.1
55 7 1 -2 42.85 85.7 1.31522 76.7 8.9 8.2 6.1
56 5 3 -3 43.012 86.024 1.31123 34.7 4.0 3.7 6.1
57 5 1 2 43.631 87.262 1.2963 9.4 1.1 1.0 6.2
58 6 2 1 43.665 87.33 1.29549 51.7 6.0 5.5 6.2
59 3 1 -4 43.951 87.902 1.28877 51.9 6.0 5.5 6.2
60 1 1 -4 44.211 88.422 1.28275 19.5 2.3 2.1 6.2
61 4 0 -4 44.863 89.726 1.268 15.6 1.8 1.6 6.2
62 2 6 -2 44.926 89.852 1.2666 32.8 3.8 3.5 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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