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
6, 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
P2/n
1 .10 .8
Ref.Str.:
Pavese A., Bocchio R., Ivaldi G. (2000)
* Mineral. Mag., 64, 983-993
R: from Gorduno, Lepontine Alps, Switzerland.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.569 alpha = 90.0
b = 8.759 beta = 106.96
c = 5.256 gamma = 90.0
Unit cell volume (cub. angs.) = 421.37
Molar volume ( cub.cm/mol.) = 63.45
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.75 0.0523 0.25 0.0 Na = 0.71, Ca = 0.29
2 0.75 0.4505 0.75 0.0 Ca = 0.71, Na = 0.29
3 0.75 0.6593 0.25 0.0 Mg = 0.46, Al = 0.48, Fe = 0.06
4 0.75 0.8474 0.75 0.0 Mg = 0.46, Al = 0.48, Fe = 0.06
5 0.0395 0.8477 0.2267 0.0 Si = 0.99, Al = 0.01
6 0.0372 0.6625 0.7305 0.0 Si = 0.99, Al = 0.01
7 0.863 0.8393 0.1201 0.0 O = 1.00
8 0.861 0.678 0.6482 0.0 O = 1.00
9 0.1149 0.0102 0.3093 0.0 O = 1.00
10 0.1061 0.4975 0.805 0.0 O = 1.00
11 0.1066 0.7665 0.0039 0.0 O = 1.00
12 0.098 0.7403 0.4977 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.75 0.0523 0.25
2 2 0.75 0.4505 0.75
3 3 0.75 0.6593 0.25
4 4 0.75 0.8474 0.75
5 5 0.0395 0.8477 0.2267
6 6 0.0372 0.6625 0.7305
7 7 0.863 0.8393 0.1201
8 8 0.861 0.678 0.6482
9 9 0.1149 0.0102 0.3093
10 10 0.1061 0.4975 0.805
11 11 0.1066 0.7665 0.0039
12 12 0.098 0.7403 0.4977
13 1 0.25 0.9477 0.75
14 2 0.25 0.5495 0.25
15 3 0.25 0.3407 0.75
16 4 0.25 0.1526 0.25
17 5 0.9605 0.1523 0.7733
18 6 0.9628 0.3375 0.2695
19 7 0.137 0.1607 0.8799
20 8 0.139 0.322 0.3518
21 9 0.8851 0.9898 0.6907
22 10 0.8939 0.5025 0.195
23 11 0.8934 0.2335 0.9961
24 12 0.902 0.2597 0.5023
25 5 0.4605 0.8477 0.2733
26 6 0.4628 0.6625 0.7695
27 7 0.637 0.8393 0.3799
28 8 0.639 0.678 0.8518
29 9 0.3851 0.0102 0.1907
30 10 0.3939 0.4975 0.695
31 11 0.3934 0.7665 0.4961
32 12 0.402 0.7403 0.0023
33 5 0.5395 0.1523 0.7267
34 6 0.5372 0.3375 0.2305
35 7 0.363 0.1607 0.6201
36 8 0.361 0.322 0.1482
37 9 0.6149 0.9898 0.8093
38 10 0.6061 0.5025 0.305
39 11 0.6066 0.2335 0.5039
40 12 0.598 0.2597 0.9977
X-ray density (g/cm cub.) = 3.33
MU (1/cm) = 222.923 Mass attenuation coefficient (cm**2/g) = 66.998
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Ca 2.88 8
2.3552 7
2.3642 9
2.6928 11
2.4594 12
2.3552 7
2.3642 9
2.6928 11
2.4594 12
2 Ca ,Na 2.88 8
2.391 8
2.3864 10
2.4765 11
2.7764 12
2.391 8
2.3864 10
2.4765 11
2.7764 12
3 Mg ,Al ,Fe 2.592 6
2.1338 7
2.0588 8
2.0241 10
2.1338 7
2.0588 8
2.0241 10
4 Mg ,Al ,Fe 2.592 6
1.9316 7
1.9869 8
1.8866 9
1.9316 7
1.9869 8
1.8866 9
5 Si ,Al 2.316 4
1.6184 7
1.5976 9
1.652 11
1.6618 12
6 Si ,Al 2.316 4
1.6197 8
1.5891 10
1.6673 11
1.6477 12
7 O 3.264 11
3.1196 8
2.8497 8
2.7643 9
2.654 11
2.6728 12
3.226 9
2.6748 9
2.9795 10
2.8748 7
2.6107 8
2.7892 9
8 O 3.264 11
2.8497 7
3.1196 7
2.7481 10
2.6563 11
2.6671 12
2.7444 9
3.1928 10
2.9281 10
2.6107 7
2.6428 8
2.9999 10
9 O 3.264 9
2.7643 7
2.658 11
2.5863 12
3.226 7
2.6748 7
2.7444 8
2.9987 11
2.8309 9
2.7892 7
10 O 3.264 10
2.7481 8
2.5771 11
2.6579 12
2.9795 7
3.1928 8
2.9281 8
3.2567 10
2.9785 12
2.9745 10
2.9999 8
11 O 3.264 9
2.654 7
2.6563 8
2.658 9
2.5771 10
2.6306 12
2.6477 12
2.9987 9
3.1753 11
2.8384 12
12 O 3.264 8
2.6728 7
2.6671 8
2.5863 9
2.6579 10
2.6477 11
2.6306 11
2.9785 10
2.8384 11
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 5.861 11.722 0.057 188.81 2 1.1 0.3
2 1 1 0 8.126 16.251 0.079 97.16 4 8.1 14.4
3 1 0 -1 10.151 20.302 0.099 61.48 2 14.0 13.6
4 2 0 0 11.271 22.542 0.109 49.46 2 2.2 0.3
5 1 1 -1 11.753 23.506 0.114 45.32 4 12.7 16.4
6 0 2 0 11.785 23.57 0.114 45.06 2 40.8 84.4
7 0 1 1 11.838 23.675 0.115 44.64 4 3.9 1.5
8 2 1 0 12.74 25.479 0.123 38.26 4 3.9 1.3
9 1 2 0 13.086 26.172 0.127 36.16 4 4.8 1.9
10 1 0 1 13.097 26.194 0.127 36.09 2 8.3 2.8
11 2 1 -1 14.178 28.357 0.137 30.5 4 2.1 0.3
12 1 1 1 14.392 28.783 0.139 29.55 4 1.8 0.2
13 1 2 -1 15.65 31.301 0.151 24.69 4 5.8 1.9
14 0 2 1 15.716 31.431 0.151 24.47 4 38.2 80.5
15 2 2 0 16.421 32.842 0.158 22.25 4 53.7 144.4
16 3 0 -1 17.173 34.346 0.165 20.19 2 8.6 1.7
17 2 2 -1 17.585 35.171 0.169 19.17 4 140.3 849.9
18 1 2 1 17.762 35.523 0.171 18.76 4 1.7 0.1
19 0 3 0 17.84 35.68 0.171 18.58 2 6.1 0.8
20 3 1 0 18.086 36.173 0.174 18.03 4 85.3 295.8
21 3 1 -1 18.205 36.41 0.175 17.77 4 80.4 258.9
22 2 1 1 18.489 36.979 0.177 17.18 4 2.9 0.3
23 1 3 0 18.758 37.515 0.18 16.64 4 4.2 0.7
24 2 0 -2 20.639 41.278 0.197 13.46 2 37.9 21.7
25 1 3 -1 20.697 41.395 0.198 13.37 4 79.8 192.0
26 0 3 1 20.749 41.498 0.198 13.3 4 10.0 3.0
27 1 1 -2 20.818 41.636 0.199 13.2 4 8.6 2.2
28 0 0 2 20.845 41.689 0.199 13.16 2 152.6 345.2
29 3 2 0 20.935 41.869 0.2 13.04 4 3.3 0.3
30 3 2 -1 21.039 42.079 0.201 12.89 4 4.6 0.6
31 2 2 1 21.292 42.584 0.203 12.55 4 107.0 323.5
32 2 3 0 21.309 42.618 0.203 12.53 4 1.8 0.1
33 2 1 -2 21.529 43.059 0.205 12.24 4 6.6 1.2
34 0 1 2 21.728 43.456 0.207 11.99 4 7.7 1.6
35 2 3 -1 22.254 44.508 0.212 11.37 4 6.5 1.1
36 1 3 1 22.399 44.798 0.213 11.2 4 17.8 8.0
37 3 0 1 22.629 45.257 0.215 10.94 2 0.4 0.0
38 4 0 0 23.011 46.021 0.219 10.54 2 8.4 0.8
39 4 1 -1 23.13 46.261 0.22 10.42 4 5.5 0.7
40 1 2 -2 23.39 46.779 0.222 10.16 4 5.7 0.7
41 3 1 1 23.458 46.916 0.223 10.09 4 75.3 128.9
42 3 1 -2 23.745 47.489 0.225 9.81 4 4.5 0.5
43 4 1 0 23.83 47.659 0.226 9.74 4 8.3 1.5
44 2 2 -2 24.04 48.08 0.228 9.54 4 18.2 7.1
45 0 4 0 24.109 48.218 0.228 9.48 2 2.0 0.0
46 1 1 2 24.111 48.223 0.228 9.48 4 71.3 108.5
47 0 2 2 24.222 48.445 0.229 9.38 4 60.8 78.0
48 1 4 0 24.835 49.67 0.235 8.86 4 12.9 3.3
49 3 3 0 25.09 50.179 0.237 8.66 4 58.2 66.0
50 3 3 -1 25.181 50.362 0.238 8.59 4 86.2 143.7
51 2 3 1 25.401 50.802 0.24 8.42 4 1.2 0.0
52 4 2 -1 25.519 51.038 0.241 8.33 4 59.8 67.1
53 3 2 1 25.824 51.647 0.244 8.11 4 10.6 2.1
54 3 2 -2 26.091 52.182 0.246 7.92 4 3.1 0.2
55 4 2 0 26.17 52.34 0.247 7.87 4 19.1 6.4
56 1 4 -1 26.415 52.831 0.249 7.7 4 3.9 0.3
57 1 2 2 26.434 52.867 0.249 7.69 4 4.8 0.4
58 4 0 -2 26.441 52.882 0.249 7.68 2 98.4 83.8
59 0 4 1 26.458 52.916 0.249 7.67 4 96.4 160.8
60 2 4 0 26.925 53.851 0.253 7.37 4 9.8 1.6
61 2 0 2 26.949 53.899 0.253 7.36 2 74.6 46.1
62 4 1 -2 27.183 54.366 0.255 7.21 4 4.4 0.3
63 1 3 -2 27.256 54.512 0.256 7.17 4 53.9 46.9
64 2 1 2 27.682 55.364 0.26 6.92 4 1.4 0.0
65 2 4 -1 27.724 55.448 0.26 6.9 4 35.4 19.5
66 2 3 -2 27.84 55.681 0.261 6.83 4 3.0 0.1
67 1 4 1 27.847 55.695 0.261 6.83 4 9.3 1.3
68 5 0 -1 27.951 55.901 0.262 6.77 2 3.2 0.1
69 0 3 2 28.005 56.009 0.262 6.74 4 6.3 0.6
70 5 1 -1 28.666 57.333 0.268 6.4 4 24.1 8.4
71 4 1 1 29.028 58.057 0.271 6.22 4 0.9 0.0
72 4 3 -1 29.182 58.364 0.273 6.14 4 2.8 0.1
73 4 2 -2 29.333 58.666 0.274 6.07 4 28.0 10.7
74 3 3 1 29.461 58.921 0.275 6.01 4 31.7 13.6
75 3 3 -2 29.705 59.411 0.277 5.9 4 14.9 3.0
76 4 3 0 29.778 59.557 0.278 5.87 4 1.2 0.0
77 2 2 2 29.808 59.616 0.278 5.86 4 34.8 15.9
78 5 1 0 29.946 59.892 0.279 5.8 4 63.3 52.3
79 1 3 2 30.02 60.041 0.28 5.76 4 42.7 23.7
80 3 4 0 30.185 60.37 0.281 5.69 4 2.6 0.1
81 3 4 -1 30.266 60.531 0.282 5.66 4 1.8 0.0
82 2 4 1 30.461 60.921 0.283 5.58 4 18.7 4.4
83 0 5 0 30.703 61.407 0.285 5.48 2 20.4 2.6
84 5 2 -1 30.749 61.498 0.286 5.46 4 7.2 0.6
85 1 0 -3 30.918 61.837 0.287 5.4 2 7.7 0.4
86 4 2 1 31.096 62.192 0.289 5.33 4 20.8 5.2
87 1 5 0 31.323 62.646 0.291 5.25 4 89.5 94.7
88 2 1 -3 31.478 62.955 0.292 5.19 4 9.3 1.0
89 5 1 -2 31.587 63.175 0.293 5.15 4 33.8 13.2
90 1 1 -3 31.592 63.184 0.293 5.15 4 5.1 0.3
91 3 0 -3 31.919 63.838 0.296 5.03 2 7.5 0.3
92 5 2 0 31.978 63.956 0.296 5.01 4 1.4 0.0
93 1 4 -2 32.122 64.244 0.297 4.96 4 5.0 0.3
94 3 1 2 32.194 64.388 0.298 4.94 4 31.5 11.0
95 3 1 -3 32.581 65.162 0.301 4.81 4 72.2 56.5
96 2 4 -2 32.652 65.304 0.302 4.79 4 17.5 3.3
97 1 5 -1 32.694 65.388 0.302 4.78 4 29.8 9.6
98 4 3 -2 32.717 65.434 0.302 4.77 4 9.1 0.9
99 0 5 1 32.732 65.463 0.302 4.77 4 2.8 0.1
100 0 4 2 32.801 65.603 0.303 4.75 4 62.5 41.7
101 0 1 3 32.918 65.835 0.304 4.71 4 8.2 0.7
102 2 5 0 33.143 66.285 0.306 4.64 4 4.5 0.2
103 2 3 2 33.164 66.328 0.306 4.64 4 1.4 0.0
104 2 2 -3 33.457 66.914 0.308 4.55 4 115.0 135.6
105 5 2 -2 33.563 67.126 0.309 4.52 4 5.9 0.4
106 1 2 -3 33.568 67.135 0.309 4.52 4 7.9 0.6
107 2 5 -1 33.85 67.7 0.311 4.44 4 11.0 1.2
108 4 4 -1 33.879 67.757 0.312 4.43 4 1.0 0.0
109 1 5 1 33.96 67.921 0.312 4.41 4 7.8 0.6
110 5 3 -1 34.052 68.105 0.313 4.38 4 119.1 140.2
111 3 4 1 34.135 68.271 0.314 4.36 4 6.3 0.4
112 3 2 2 34.151 68.302 0.314 4.36 4 5.6 0.3
113 3 4 -2 34.361 68.723 0.316 4.3 4 3.3 0.1
114 4 3 1 34.381 68.763 0.316 4.3 4 7.8 0.6
115 4 4 0 34.429 68.857 0.316 4.29 4 77.2 57.6
116 5 0 1 34.519 69.038 0.317 4.26 2 0.1 0.0
117 3 2 -3 34.527 69.055 0.317 4.26 4 7.2 0.5
118 1 4 2 34.653 69.305 0.318 4.23 4 10.8 1.1
119 1 0 3 34.748 69.497 0.319 4.21 2 7.9 0.3
120 6 1 -1 34.758 69.516 0.319 4.2 4 3.6 0.1
121 4 1 -3 34.842 69.683 0.319 4.18 4 3.8 0.1
122 0 2 3 34.854 69.709 0.319 4.18 4 12.8 1.5
123 5 1 1 35.156 70.312 0.322 4.11 4 11.9 1.3
124 5 3 0 35.22 70.441 0.322 4.09 4 35.1 11.3
125 1 1 3 35.384 70.767 0.324 4.06 4 8.9 0.7
126 6 0 0 35.898 71.797 0.328 3.94 2 82.1 30.0
127 3 5 0 36.07 72.141 0.329 3.9 4 73.1 47.1
128 3 5 -1 36.144 72.288 0.33 3.89 4 13.0 1.5
129 6 0 -2 36.193 72.386 0.33 3.88 2 104.7 47.9
130 2 5 1 36.322 72.644 0.331 3.85 4 1.6 0.0
131 6 1 0 36.525 73.05 0.333 3.81 4 6.1 0.3
132 2 3 -3 36.636 73.272 0.334 3.79 4 5.4 0.3
133 6 2 -1 36.65 73.299 0.334 3.79 4 47.7 19.4
134 4 2 -3 36.731 73.463 0.334 3.77 4 27.6 6.5
135 5 3 -2 36.738 73.476 0.334 3.77 4 29.5 7.4
136 1 3 -3 36.742 73.485 0.334 3.77 4 119.2 120.6
137 6 1 -2 36.818 73.636 0.335 3.75 4 0.6 0.0
138 4 0 2 36.904 73.808 0.336 3.74 2 117.0 57.7
139 5 2 1 37.039 74.078 0.337 3.71 4 7.6 0.5
140 4 4 -2 37.175 74.35 0.338 3.69 4 12.1 1.2
141 1 2 3 37.262 74.524 0.338 3.67 4 1.7 0.0
142 3 3 2 37.304 74.608 0.339 3.66 4 7.2 0.4
143 4 1 2 37.524 75.048 0.34 3.62 4 2.5 0.0
144 5 0 -3 37.553 75.107 0.341 3.62 2 3.2 0.0
145 2 4 2 37.598 75.196 0.341 3.61 4 39.2 12.5
146 3 3 -3 37.667 75.333 0.342 3.6 4 27.2 6.0
147 0 6 0 37.786 75.572 0.343 3.58 2 103.3 43.0
148 1 5 -2 37.855 75.71 0.343 3.57 4 6.4 0.3
149 0 3 3 37.983 75.965 0.344 3.55 4 4.4 0.2
150 5 1 -3 38.17 76.34 0.345 3.52 4 29.0 6.7
151 2 5 -2 38.349 76.697 0.347 3.49 4 9.6 0.7
152 1 6 0 38.35 76.699 0.347 3.49 4 3.0 0.1
153 6 2 0 38.382 76.764 0.347 3.48 4 19.5 3.0
154 5 4 -1 38.442 76.885 0.348 3.47 4 9.2 0.7
155 0 5 2 38.488 76.976 0.348 3.47 4 20.9 3.4
156 6 2 -2 38.67 77.339 0.349 3.44 4 47.9 17.8
157 4 4 1 38.756 77.512 0.35 3.43 4 28.9 6.4
158 2 1 3 38.902 77.805 0.351 3.4 4 2.3 0.0
159 4 2 2 39.365 78.73 0.355 3.34 4 54.1 22.0
160 4 5 -1 39.5 78.999 0.356 3.32 4 13.5 1.4
161 5 4 0 39.559 79.118 0.356 3.31 4 4.9 0.2
162 1 6 -1 39.61 79.22 0.356 3.31 4 2.2 0.0
163 0 6 1 39.645 79.289 0.357 3.3 4 43.1 13.8
164 6 3 -1 39.725 79.45 0.357 3.29 4 3.5 0.1
165 3 5 1 39.742 79.484 0.357 3.29 4 24.9 4.6
166 4 3 -3 39.805 79.61 0.358 3.28 4 3.8 0.1
167 3 5 -2 39.956 79.911 0.359 3.26 4 120.5 106.6
168 5 2 -3 40.001 80.003 0.359 3.25 4 6.6 0.3
169 4 5 0 40.019 80.039 0.359 3.25 4 7.8 0.4
170 2 6 0 40.026 80.052 0.36 3.25 4 27.4 5.5
171 5 3 1 40.105 80.21 0.36 3.24 4 148.4 160.9
172 1 5 2 40.232 80.463 0.361 3.23 4 58.1 24.5
173 1 3 3 40.323 80.645 0.362 3.22 4 15.0 1.6
174 2 6 -1 40.686 81.371 0.364 3.17 4 11.9 1.0
175 2 2 3 40.725 81.45 0.365 3.17 4 83.9 50.3
176 1 6 1 40.789 81.578 0.365 3.16 4 4.8 0.2
177 7 0 -1 40.895 81.791 0.366 3.15 2 0.9 0.0
178 2 4 -3 40.923 81.846 0.366 3.15 4 49.9 17.6
179 5 4 -2 41.022 82.043 0.367 3.14 4 2.6 0.0
180 1 4 -3 41.026 82.052 0.367 3.14 4 9.9 0.7
181 6 3 0 41.419 82.838 0.37 3.09 4 10.1 0.7
182 7 1 -1 41.498 82.997 0.37 3.09 4 30.7 6.6
183 3 4 2 41.57 83.141 0.371 3.08 4 8.2 0.5
184 6 3 -2 41.701 83.403 0.372 3.07 4 9.9 0.7
185 3 4 -3 41.923 83.846 0.373 3.05 4 6.7 0.3
186 6 1 1 41.943 83.886 0.374 3.04 4 6.8 0.3
187 0 4 3 42.231 84.461 0.376 3.02 4 39.2 10.4
188 4 3 2 42.385 84.77 0.377 3.0 4 5.6 0.2
189 6 1 -3 42.507 85.013 0.378 2.99 4 4.5 0.1
190 4 5 -2 42.647 85.294 0.379 2.98 4 2.1 0.0
191 3 6 0 42.784 85.569 0.38 2.97 4 3.1 0.1
192 3 0 3 42.828 85.657 0.38 2.97 2 11.2 0.4
193 3 6 -1 42.855 85.709 0.38 2.97 4 2.6 0.0
194 7 1 -2 42.878 85.755 0.38 2.96 4 106.6 75.8
195 2 0 -4 42.908 85.816 0.381 2.96 2 12.9 0.6
196 5 3 -3 43.013 86.025 0.381 2.95 4 72.8 35.3
197 2 6 1 43.025 86.05 0.381 2.95 4 11.0 0.8
198 2 5 2 43.056 86.112 0.382 2.95 4 0.3 0.0
199 7 2 -1 43.298 86.597 0.383 2.93 4 4.7 0.1
200 3 1 3 43.427 86.854 0.384 2.92 4 34.4 7.8
201 2 1 -4 43.507 87.013 0.385 2.92 4 1.3 0.0
202 5 1 2 43.695 87.391 0.386 2.9 4 38.8 9.8
203 2 3 3 43.728 87.456 0.386 2.9 4 3.7 0.1
204 6 2 1 43.741 87.482 0.386 2.9 4 75.6 37.4
205 7 1 0 43.761 87.523 0.387 2.9 4 44.0 12.6
206 5 5 -1 43.877 87.753 0.387 2.89 4 16.4 1.8
207 3 1 -4 43.918 87.837 0.388 2.89 4 89.0 51.5
208 6 4 -1 43.937 87.874 0.388 2.89 4 12.2 1.0
209 4 4 -3 44.015 88.031 0.388 2.88 4 27.6 4.9
210 4 5 1 44.183 88.366 0.39 2.87 4 4.1 0.1
211 1 1 -4 44.191 88.381 0.39 2.87 4 53.6 18.6
212 6 2 -3 44.302 88.604 0.39 2.87 4 9.2 0.5
213 5 4 1 44.311 88.622 0.39 2.87 4 12.6 1.0
214 1 6 -2 44.501 89.003 0.392 2.85 4 11.6 0.9
215 1 4 3 44.526 89.051 0.392 2.85 4 2.4 0.0
216 7 2 -2 44.672 89.344 0.393 2.85 4 5.2 0.2
217 4 0 -4 44.827 89.653 0.394 2.84 2 67.1 14.4
218 5 5 0 44.969 89.938 0.395 2.83 4 11.6 0.9
219 2 6 -2 44.981 89.961 0.395 2.83 4 70.2 31.4
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 8.126 16.251 6.3282 14.4 1.7 1.7 5.6
2 1 0 -1 10.151 20.302 5.07521 13.6 1.6 1.6 5.6
3 1 1 -1 11.753 23.506 4.39131 16.4 1.9 2.0 5.6
4 0 2 0 11.785 23.57 4.3795 84.4 9.9 10.0 5.6
5 0 2 1 15.716 31.431 3.30224 80.5 9.5 9.5 5.6
6 2 2 0 16.421 32.842 3.1641 144.4 17.0 17.0 5.6
7 2 2 -1 17.585 35.171 2.96054 849.9 100.0 100.0 5.7
8 3 1 0 18.086 36.173 2.88116 295.8 34.8 34.8 5.7
9 3 1 -1 18.205 36.41 2.86305 258.9 30.5 30.4 5.7
10 2 0 -2 20.639 41.278 2.53761 21.7 2.6 2.5 5.7
11 1 3 -1 20.697 41.395 2.53077 192.0 22.6 22.5 5.7
12 0 0 2 20.845 41.689 2.5137 347.4 40.9 40.6 5.7
13 2 2 1 21.292 42.584 2.46327 323.6 38.1 37.8 5.7
14 3 1 1 23.458 46.916 2.24695 128.9 15.2 15.0 5.7
15 1 1 2 24.111 48.223 2.18955 108.5 12.8 12.6 5.7
16 0 2 2 24.222 48.445 2.18012 78.0 9.2 9.1 5.7
17 3 3 0 25.09 50.179 2.1094 66.0 7.8 7.6 5.7
18 3 3 -1 25.181 50.362 2.10226 143.7 16.9 16.6 5.8
19 4 2 -1 25.519 51.038 2.07624 67.1 7.9 7.8 5.8
20 0 4 1 26.458 52.916 2.00758 244.5 28.8 28.2 5.8
21 2 0 2 26.949 53.899 1.97364 47.6 5.6 5.5 5.8
22 1 3 -2 27.256 54.512 1.95311 46.9 5.5 5.4 5.8
23 2 4 -1 27.724 55.448 1.9227 19.5 2.3 2.2 5.8
24 4 2 -2 29.333 58.666 1.82587 10.7 1.3 1.2 5.8
25 3 3 1 29.461 58.921 1.81866 13.6 1.6 1.6 5.8
26 2 2 2 29.808 59.616 1.79937 15.9 1.9 1.8 5.8
27 5 1 0 29.946 59.892 1.79185 52.3 6.1 6.0 5.8
28 1 3 2 30.02 60.041 1.78781 23.7 2.8 2.7 5.8
29 1 5 0 31.323 62.646 1.72057 94.7 11.1 10.8 5.8
30 5 1 -2 31.587 63.175 1.70765 13.5 1.6 1.5 5.9
31 3 1 2 32.194 64.388 1.67884 11.0 1.3 1.3 5.9
32 3 1 -3 32.581 65.162 1.66104 56.5 6.6 6.4 5.9
33 1 5 -1 32.694 65.388 1.65593 10.5 1.2 1.2 5.9
34 0 4 2 32.801 65.603 1.65112 41.7 4.9 4.7 5.9
35 2 2 -3 33.457 66.914 1.62243 135.6 16.0 15.3 5.9
36 5 3 -1 34.052 68.105 1.59739 140.2 16.5 15.8 5.9
37 4 4 0 34.429 68.857 1.58205 57.6 6.8 6.5 5.9
38 5 3 0 35.22 70.441 1.55094 11.3 1.3 1.3 5.9
39 6 0 0 35.898 71.797 1.52547 30.0 3.5 3.4 5.9
40 3 5 0 36.07 72.141 1.51918 47.1 5.5 5.3 5.9
41 6 0 -2 36.193 72.386 1.51473 47.9 5.6 5.4 5.9
42 6 2 -1 36.65 73.299 1.49846 19.4 2.3 2.2 6.0
43 1 3 -3 36.742 73.485 1.49521 134.4 15.8 15.0 6.0
44 4 0 2 36.904 73.808 1.48959 57.7 6.8 6.4 6.0
45 2 4 2 37.598 75.196 1.46604 12.5 1.5 1.4 6.0
46 0 6 0 37.786 75.572 1.45983 43.0 5.1 4.8 6.0
47 6 2 -2 38.67 77.339 1.43153 17.8 2.1 2.0 6.0
48 4 2 2 39.365 78.73 1.41025 22.0 2.6 2.4 6.0
49 0 6 1 39.645 79.289 1.40193 13.8 1.6 1.5 6.0
50 3 5 -2 39.956 79.911 1.39282 106.6 12.5 11.8 6.0
51 5 3 1 40.105 80.21 1.3885 160.9 18.9 17.7 6.0
52 1 5 2 40.232 80.463 1.38487 24.5 2.9 2.7 6.0
53 2 2 3 40.725 81.45 1.37097 50.3 5.9 5.5 6.1
54 2 4 -3 40.923 81.846 1.3655 17.6 2.1 1.9 6.1
55 0 4 3 42.231 84.461 1.33081 10.4 1.2 1.1 6.1
56 7 1 -2 42.878 85.755 1.31454 76.4 9.0 8.3 6.1
57 5 3 -3 43.013 86.025 1.31122 36.1 4.2 3.9 6.1
58 5 1 2 43.695 87.391 1.29477 9.8 1.2 1.1 6.2
59 6 2 1 43.741 87.482 1.29369 50.0 5.9 5.4 6.2
60 3 1 -4 43.918 87.837 1.28953 52.5 6.2 5.7 6.2
61 1 1 -4 44.191 88.381 1.28321 18.6 2.2 2.0 6.2
62 4 0 -4 44.827 89.653 1.2688 14.4 1.7 1.5 6.2
63 2 6 -2 44.981 89.961 1.26539 31.4 3.7 3.4 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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