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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WOLLASTONITE
1, f-pyroxenoids, sf-wollastonite
CaSiO(3)
Triclinic P 1(-) Z = 6
P1(-)
30 .5 .1988
Ref.Str.:
Ito T., Sadanada R., Takeuchi Y., Tokonami M. (1969)
* Proc. Jap. Acad., 45, 913-918
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.94 alpha = 90.3
b = 7.32 beta = 95.37
c = 7.07 gamma = 103.43
Unit cell volume (cub. angs.) = 397.77
Molar volume ( cub.cm/mol.) = 39.93
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.998 0.249 0.974 0.0 Ca = 1.00
2 0.7 0.925 0.264 0.0 Ca = 1.00
3 0.698 0.424 0.261 0.0 Ca = 1.00
4 0.314 0.043 0.229 0.0 Si = 1.00
5 0.314 0.614 0.229 0.0 Si = 1.00
6 0.102 0.275 0.442 0.0 Si = 1.00
7 0.1 0.275 0.666 0.0 O = 1.00
8 0.076 0.769 0.693 0.0 O = 1.00
9 0.194 0.062 0.037 0.0 O = 1.00
10 0.194 0.535 0.037 0.0 O = 1.00
11 0.516 0.129 0.226 0.0 O = 1.00
12 0.52 0.63 0.233 0.0 O = 1.00
13 0.224 0.12 0.405 0.0 O = 1.00
14 0.224 0.492 0.405 0.0 O = 1.00
15 0.29 0.822 0.26 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.998 0.249 0.974
2 2 0.7 0.925 0.264
3 3 0.698 0.424 0.261
4 4 0.314 0.043 0.229
5 5 0.314 0.614 0.229
6 6 0.102 0.275 0.442
7 7 0.1 0.275 0.666
8 8 0.076 0.769 0.693
9 9 0.194 0.062 0.037
10 10 0.194 0.535 0.037
11 11 0.516 0.129 0.226
12 12 0.52 0.63 0.233
13 13 0.224 0.12 0.405
14 14 0.224 0.492 0.405
15 15 0.29 0.822 0.26
16 1 0.002 0.751 0.026
17 2 0.3 0.075 0.736
18 3 0.302 0.576 0.739
19 4 0.686 0.957 0.771
20 5 0.686 0.386 0.771
21 6 0.898 0.725 0.558
22 7 0.9 0.725 0.334
23 8 0.924 0.231 0.307
24 9 0.806 0.938 0.963
25 10 0.806 0.465 0.963
26 11 0.484 0.871 0.774
27 12 0.48 0.37 0.767
28 13 0.776 0.88 0.595
29 14 0.776 0.508 0.595
30 15 0.71 0.178 0.74
X-ray density (g/cm cub.) = 2.91
MU (1/cm) = 219.02 Mass attenuation coefficient (cm**2/g) = 75.299
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.3868 7
2.3152 9
2.313 10
2.4762 8
2.4241 9
2.4349 10
2.6395 15
2 Ca 2.88 6
2.3196 11
2.2927 12
2.4188 7
2.5128 8
2.355 9
2.4052 13
3 Ca 2.88 6
2.3001 11
2.2916 12
2.4259 7
2.5288 8
2.343 10
2.4232 14
4 Si 2.1 4
1.6097 9
1.5832 11
1.6501 13
1.603 15
5 Si 2.1 4
1.6058 10
1.61 12
1.6547 14
1.5943 15
6 Si 2.1 4
1.5852 7
1.6879 13
1.6932 14
1.5953 8
7 O 3.264 7
3.1757 9
3.1592 10
2.5493 13
2.5577 14
2.7599 8
2.9519 12
3.1069 15
8 O 3.264 6
3.1588 9
3.1764 10
2.7599 7
3.1472 11
2.7222 13
2.7143 14
9 O 3.264 6
3.1757 7
3.1588 8
2.7081 11
2.6137 13
2.565 15
2.9971 9
10 O 3.264 6
3.1592 7
3.1764 8
2.7543 12
2.6177 14
2.5449 15
2.9982 10
11 O 3.264 4
2.7081 9
2.7314 13
2.5576 15
3.1472 8
12 O 3.264 4
2.7543 10
2.7327 14
2.5693 15
2.9519 7
13 O 3.264 6
2.5493 7
2.6137 9
2.7314 11
2.723 14
2.5869 15
2.7222 8
14 O 3.264 6
2.5577 7
2.6177 10
2.7327 12
2.723 13
2.5883 15
2.7143 8
15 O 3.264 7
2.565 9
2.5449 10
2.5576 11
2.5693 12
2.5869 13
2.5883 14
3.1069 7
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 5.752 11.503 0.065 196.16 2 21.9 118.6
2 0 1 0 6.213 12.427 0.07 167.77 2 3.0 1.9
3 0 0 1 6.285 12.57 0.071 163.92 2 7.8 12.5
4 -1 1 0 7.422 14.844 0.084 116.91 2 0.1 0.0
5 -1 0 1 8.107 16.215 0.092 97.61 2 10.9 14.6
6 0 -1 1 8.73 17.461 0.099 83.88 2 4.9 2.5
7 1 0 1 8.943 17.886 0.101 79.83 2 4.3 1.8
8 0 1 1 8.979 17.958 0.101 79.18 2 18.9 35.8
9 1 1 0 9.427 18.854 0.106 71.62 2 14.6 19.3
10 -1 1 1 9.491 18.983 0.107 70.63 2 22.6 45.6
11 1 -1 1 9.999 19.998 0.113 63.42 2 16.5 21.9
12 -1 -1 1 10.94 21.879 0.123 52.63 2 43.7 127.1
13 2 0 0 11.562 23.125 0.13 46.9 2 65.6 255.2
14 1 1 1 11.77 23.541 0.132 45.18 2 6.8 2.6
15 -2 1 0 11.789 23.579 0.133 45.03 2 34.1 66.2
16 -1 2 0 12.488 24.975 0.14 39.91 2 7.3 2.7
17 0 2 0 12.501 25.002 0.141 39.82 2 6.7 2.3
18 -2 0 1 12.64 25.279 0.142 38.9 2 28.6 40.1
19 0 0 2 12.647 25.294 0.142 38.86 2 82.1 331.1
20 -2 1 1 12.936 25.871 0.145 37.05 2 44.0 90.6
21 -1 0 2 13.4 26.799 0.15 34.39 2 111.0 536.1
22 2 0 1 13.743 27.485 0.154 32.6 2 24.1 23.9
23 2 -1 1 13.855 27.711 0.155 32.04 2 4.0 0.6
24 0 -2 1 13.877 27.753 0.156 31.93 2 17.5 12.3
25 -1 2 1 13.926 27.852 0.156 31.69 2 17.4 12.2
26 0 -1 2 13.976 27.952 0.157 31.45 2 43.2 74.3
27 1 -2 1 14.126 28.251 0.158 30.75 2 2.4 0.2
28 0 2 1 14.198 28.396 0.159 30.41 2 2.1 0.2
29 0 1 2 14.296 28.591 0.16 29.97 2 14.9 8.5
30 -1 1 2 14.379 28.757 0.161 29.61 2 60.0 134.5
31 2 1 0 14.422 28.844 0.162 29.42 2 42.0 65.6
32 1 0 2 14.449 28.898 0.162 29.3 2 95.0 334.0
33 -2 2 0 14.972 29.944 0.168 27.15 2 156.4 840.1
34 1 2 0 15.006 30.012 0.168 27.02 2 156.7 838.9
35 1 -1 2 15.068 30.136 0.169 26.79 2 6.7 1.5
36 -2 -1 1 15.238 30.476 0.171 26.15 2 24.6 20.0
37 -1 -1 2 15.248 30.496 0.171 26.11 2 48.5 77.6
38 -1 -2 1 15.956 31.911 0.178 23.68 2 28.2 23.7
39 -2 2 1 15.978 31.956 0.179 23.61 2 28.6 24.4
40 2 1 1 16.319 32.638 0.182 22.56 2 18.9 10.2
41 -2 0 2 16.383 32.766 0.183 22.37 2 56.8 91.2
42 1 1 2 16.468 32.937 0.184 22.12 2 15.6 6.8
43 2 -2 1 16.607 33.214 0.186 21.72 2 5.2 0.7
44 -2 1 2 16.687 33.373 0.186 21.49 2 23.7 15.3
45 1 2 1 16.69 33.381 0.186 21.48 2 5.2 0.7
46 -3 1 0 17.144 34.288 0.191 20.27 2 30.1 23.1
47 3 0 0 17.497 34.993 0.195 19.38 2 62.1 94.6
48 0 -2 2 17.672 35.344 0.197 18.97 2 34.7 28.8
49 -1 2 2 17.761 35.522 0.198 18.76 2 34.7 28.6
50 -3 1 1 17.767 35.535 0.198 18.74 2 0.6 0.0
51 -3 0 1 18.046 36.091 0.201 18.12 2 1.0 0.0
52 1 -2 2 18.082 36.163 0.201 18.04 2 70.3 112.5
53 2 0 2 18.114 36.228 0.202 17.97 2 71.7 116.6
54 2 -1 2 18.139 36.277 0.202 17.91 2 6.7 1.0
55 0 2 2 18.188 36.377 0.203 17.81 2 69.6 108.9
56 -2 -1 2 18.444 36.888 0.205 17.27 2 4.8 0.5
57 -1 3 0 18.459 36.918 0.206 17.24 2 1.6 0.1
58 3 -1 1 18.873 37.746 0.21 16.42 2 32.4 21.7
59 0 3 0 18.947 37.894 0.211 16.27 2 1.2 0.0
60 -3 2 0 19.077 38.153 0.212 16.03 2 63.7 82.1
61 2 2 0 19.122 38.245 0.213 15.95 2 63.3 80.8
62 0 0 3 19.173 38.346 0.213 15.85 2 50.6 51.3
63 -1 -2 2 19.191 38.383 0.213 15.82 2 34.5 23.8
64 -2 2 2 19.256 38.513 0.214 15.7 2 34.7 23.9
65 3 0 1 19.259 38.518 0.214 15.7 2 45.4 40.9
66 -1 0 3 19.505 39.011 0.217 15.26 2 109.1 229.5
67 -1 3 1 19.559 39.119 0.217 15.17 2 0.6 0.0
68 1 -3 1 19.588 39.176 0.218 15.12 2 5.0 0.5
69 -2 -2 1 19.706 39.412 0.219 14.92 2 26.9 13.6
70 -3 2 1 19.707 39.413 0.219 14.92 2 26.8 13.5
71 -2 3 0 19.838 39.677 0.22 14.7 2 2.7 0.1
72 0 -3 1 19.861 39.723 0.221 14.66 2 7.7 1.1
73 3 1 0 20.03 40.061 0.222 14.39 2 8.4 1.3
74 0 -1 3 20.055 40.11 0.223 14.35 2 23.1 9.7
75 0 3 1 20.214 40.428 0.224 14.1 2 0.3 0.0
76 2 1 2 20.254 40.508 0.225 14.04 2 7.0 0.9
77 -1 1 3 20.278 40.555 0.225 14.0 2 2.1 0.1
78 2 -2 2 20.32 40.641 0.225 13.93 2 43.9 34.0
79 0 1 3 20.404 40.809 0.226 13.81 2 23.4 9.5
80 1 2 2 20.434 40.869 0.227 13.76 2 44.1 33.8
81 -3 -1 1 20.463 40.927 0.227 13.72 2 9.0 1.4
82 -3 1 2 20.559 41.117 0.228 13.58 2 3.0 0.1
83 3 -2 1 20.609 41.219 0.228 13.5 2 96.7 159.5
84 1 0 3 20.646 41.292 0.229 13.45 2 7.2 0.9
85 -2 3 1 20.692 41.385 0.229 13.38 2 5.8 0.6
86 2 2 1 20.696 41.392 0.229 13.38 2 96.1 156.3
87 -3 0 2 20.748 41.496 0.23 13.3 2 57.9 56.3
88 -1 -1 3 20.816 41.633 0.231 13.2 2 19.3 6.2
89 1 -1 3 21.047 42.095 0.233 12.88 2 6.9 0.8
90 2 -3 1 21.088 42.175 0.234 12.83 2 9.0 1.3
91 1 3 0 21.192 42.384 0.235 12.69 2 6.0 0.6
92 -2 0 3 21.574 43.147 0.239 12.19 2 32.8 16.5
93 3 1 1 21.672 43.344 0.24 12.06 2 31.9 15.6
94 -1 -3 1 21.853 43.705 0.242 11.84 2 11.9 2.1
95 -2 1 3 21.87 43.739 0.242 11.82 2 26.2 10.2
96 1 1 3 22.226 44.452 0.246 11.4 2 19.9 5.7
97 -2 -2 2 22.306 44.611 0.246 11.31 2 59.0 49.7
98 -3 2 2 22.347 44.694 0.247 11.26 2 58.2 48.2
99 3 -1 2 22.491 44.983 0.248 11.1 2 7.3 0.7
100 1 3 1 22.527 45.055 0.249 11.06 2 13.8 2.7
101 -1 3 2 22.615 45.231 0.25 10.96 2 10.0 1.4
102 1 -3 2 22.667 45.333 0.25 10.9 2 4.8 0.3
103 0 -3 2 22.738 45.477 0.251 10.83 2 4.7 0.3
104 -3 3 0 22.8 45.601 0.252 10.76 2 3.4 0.2
105 0 -2 3 22.847 45.694 0.252 10.71 2 3.5 0.2
106 -3 -1 2 22.875 45.75 0.252 10.68 2 14.6 2.9
107 3 0 2 22.88 45.759 0.252 10.68 2 68.1 62.6
108 -4 1 0 22.956 45.913 0.253 10.59 2 11.3 1.7
109 -1 2 3 22.959 45.918 0.253 10.59 2 3.7 0.2
110 -2 -1 3 23.191 46.382 0.256 10.35 2 20.4 5.4
111 -4 1 1 23.281 46.562 0.257 10.26 2 4.9 0.3
112 1 -2 3 23.348 46.697 0.257 10.2 2 34.2 15.1
113 0 3 2 23.368 46.736 0.257 10.18 2 27.6 9.8
114 -3 3 1 23.4 46.799 0.258 10.15 2 34.2 15.0
115 -2 3 2 23.462 46.923 0.258 10.09 2 17.8 4.0
116 0 2 3 23.474 46.949 0.259 10.07 2 34.3 15.0
117 2 -1 3 23.614 47.228 0.26 9.94 2 38.2 18.3
118 4 0 0 23.633 47.265 0.26 9.92 2 53.9 36.4
119 2 0 3 23.646 47.292 0.26 9.91 2 21.9 6.0
120 -4 0 1 23.899 47.798 0.263 9.67 2 17.5 3.7
121 -1 -2 3 23.93 47.859 0.263 9.64 2 2.6 0.1
122 3 -2 2 23.962 47.925 0.264 9.61 2 36.2 16.0
123 -2 2 3 24.023 48.046 0.264 9.56 2 2.7 0.1
124 2 2 2 24.078 48.156 0.265 9.51 2 36.6 16.1
125 3 -3 1 24.089 48.178 0.265 9.5 2 15.8 3.0
126 -4 2 0 24.119 48.238 0.265 9.47 2 59.6 42.5
127 3 2 0 24.172 48.344 0.266 9.42 2 59.2 41.8
128 2 -3 2 24.174 48.349 0.266 9.42 2 30.6 11.2
129 -1 -3 2 24.379 48.758 0.268 9.24 2 42.6 21.2
130 -4 2 1 24.482 48.963 0.269 9.16 2 64.3 47.9
131 -3 -2 1 24.496 48.993 0.269 9.14 2 64.4 47.9
132 4 -1 1 24.503 49.005 0.269 9.14 2 23.8 6.5
133 2 3 0 24.806 49.613 0.272 8.89 2 20.0 4.5
134 -1 4 0 24.893 49.786 0.273 8.82 2 177.7 352.0
135 -3 1 3 24.916 49.832 0.273 8.8 2 6.5 0.5
136 -3 0 3 25.03 50.059 0.275 8.71 2 7.6 0.6
137 3 1 2 25.06 50.12 0.275 8.68 2 1.0 0.0
138 4 0 1 25.196 50.392 0.276 8.58 2 52.3 29.7
139 -2 -3 1 25.235 50.469 0.277 8.55 2 46.7 23.6
140 2 -2 3 25.362 50.725 0.278 8.45 2 67.2 48.3
141 -4 1 2 25.421 50.842 0.279 8.4 2 26.0 7.2
142 2 1 3 25.453 50.906 0.279 8.38 2 31.6 10.6
143 1 2 3 25.495 50.991 0.279 8.35 2 66.6 46.9
144 4 -2 1 25.563 51.127 0.28 8.3 2 30.2 9.6
145 1 3 2 25.612 51.223 0.281 8.26 2 19.2 3.8
146 -2 4 0 25.624 51.248 0.281 8.25 2 15.6 2.6
147 3 2 1 25.651 51.302 0.281 8.23 2 29.7 9.2
148 0 4 0 25.653 51.306 0.281 8.23 2 15.5 2.5
149 1 -4 1 25.744 51.488 0.282 8.17 2 17.8 3.3
150 -3 3 2 25.786 51.573 0.282 8.14 2 52.2 28.0
151 -1 4 1 25.817 51.635 0.283 8.11 2 18.7 3.6
152 -4 0 2 25.953 51.906 0.284 8.02 2 17.1 3.0
153 0 0 4 25.97 51.939 0.284 8.01 2 117.2 139.0
154 4 1 0 26.038 52.076 0.285 7.96 2 19.0 3.6
155 -1 0 4 26.078 52.155 0.285 7.93 2 68.1 46.5
156 2 3 1 26.152 52.304 0.286 7.88 2 13.2 1.7
157 -4 -1 1 26.239 52.478 0.287 7.82 2 6.9 0.5
158 0 -4 1 26.333 52.665 0.288 7.76 2 13.0 1.7
159 -2 4 1 26.376 52.752 0.288 7.73 2 13.0 1.7
160 -2 -2 3 26.449 52.898 0.289 7.68 2 106.7 110.6
161 -3 2 3 26.521 53.043 0.29 7.63 2 106.6 109.6
162 -3 -2 2 26.575 53.15 0.29 7.6 2 88.0 74.3
163 -4 2 2 26.597 53.194 0.291 7.58 2 88.0 74.1
164 2 -4 1 26.611 53.222 0.291 7.57 2 30.8 9.1
165 0 -1 4 26.624 53.248 0.291 7.56 2 26.2 6.6
166 0 4 1 26.711 53.422 0.292 7.51 2 30.3 8.7
167 -1 1 4 26.745 53.49 0.292 7.49 2 8.6 0.7
168 -3 -1 3 26.847 53.694 0.293 7.42 2 3.6 0.1
169 -4 3 0 26.94 53.88 0.294 7.36 2 38.3 13.6
170 0 1 4 27.0 54.0 0.295 7.33 2 41.6 16.1
171 3 -3 2 27.062 54.124 0.295 7.29 2 0.7 0.0
172 0 -3 3 27.087 54.175 0.296 7.27 2 6.1 0.3
173 -1 -1 4 27.09 54.181 0.296 7.27 2 8.2 0.6
174 -1 3 3 27.108 54.216 0.296 7.26 2 19.1 3.4
175 1 -3 3 27.175 54.351 0.296 7.22 2 35.0 11.2
176 1 0 4 27.299 54.598 0.298 7.15 2 21.2 4.1
177 -4 3 1 27.322 54.644 0.298 7.13 2 36.6 12.1
178 -2 -3 2 27.376 54.753 0.298 7.1 2 39.1 13.7
179 3 -1 3 27.416 54.833 0.299 7.08 2 21.4 4.1
180 4 1 1 27.548 55.095 0.3 7.0 2 7.9 0.5
181 1 -1 4 27.58 55.159 0.301 6.98 2 45.9 18.6
182 -2 0 4 27.612 55.224 0.301 6.96 2 33.1 9.6
183 4 -1 2 27.684 55.368 0.302 6.92 2 11.4 1.1
184 -2 3 3 27.704 55.408 0.302 6.91 2 24.1 5.1
185 -3 4 0 27.761 55.522 0.302 6.88 2 19.9 3.4
186 3 0 3 27.799 55.598 0.303 6.86 2 19.3 3.2
187 1 4 0 27.816 55.632 0.303 6.85 2 19.2 3.2
188 -2 1 4 27.905 55.809 0.304 6.8 2 16.0 2.2
189 0 3 3 27.918 55.837 0.304 6.79 2 27.1 6.3
190 -4 -1 2 28.124 56.248 0.306 6.68 2 26.2 5.8
191 4 -3 1 28.236 56.471 0.307 6.62 2 11.6 1.1
192 1 -4 2 28.256 56.511 0.307 6.61 2 52.4 22.9
193 -1 -4 1 28.313 56.627 0.308 6.58 2 16.3 2.2
194 -3 4 1 28.328 56.655 0.308 6.57 2 16.0 2.1
195 4 0 2 28.367 56.735 0.308 6.55 2 28.3 6.6
196 -1 4 2 28.393 56.786 0.309 6.54 2 52.8 23.0
197 -1 -3 3 28.398 56.795 0.309 6.53 2 25.1 5.2
198 4 -2 2 28.616 57.233 0.311 6.42 2 93.3 70.6
199 1 1 4 28.643 57.286 0.311 6.41 2 42.5 14.6
200 2 -3 3 28.653 57.306 0.311 6.4 2 8.5 0.6
201 3 -2 3 28.656 57.312 0.311 6.4 2 23.8 4.6
202 0 -4 2 28.663 57.327 0.311 6.4 2 86.4 60.3
203 3 2 2 28.732 57.464 0.312 6.36 2 93.1 69.7
204 -2 4 2 28.773 57.546 0.312 6.34 2 85.3 58.3
205 2 2 3 28.792 57.584 0.313 6.33 2 24.0 4.6
206 3 -4 1 28.843 57.685 0.313 6.31 2 0.2 0.0
207 0 -2 4 28.884 57.768 0.314 6.29 2 3.8 0.1
208 -2 -1 4 28.932 57.863 0.314 6.26 2 19.5 3.0
209 1 4 1 28.964 57.929 0.314 6.25 2 0.9 0.0
210 -1 2 4 29.013 58.026 0.315 6.22 2 3.1 0.1
211 -4 1 3 29.085 58.17 0.316 6.19 2 0.7 0.0
212 2 3 2 29.097 58.194 0.316 6.18 2 13.5 1.4
213 -5 1 0 29.162 58.324 0.316 6.15 2 7.8 0.5
214 2 -4 2 29.215 58.431 0.317 6.13 2 50.4 19.7
215 -5 1 1 29.293 58.587 0.318 6.09 2 12.4 1.2
216 -4 3 2 29.337 58.675 0.318 6.07 2 14.8 1.7
217 0 4 2 29.377 58.753 0.318 6.05 2 50.4 19.5
218 3 3 0 29.431 58.863 0.319 6.03 2 39.2 11.7
219 1 -2 4 29.453 58.906 0.319 6.02 2 40.9 12.7
220 -4 0 3 29.527 59.055 0.32 5.98 2 15.1 1.7
221 0 2 4 29.594 59.188 0.321 5.95 2 40.9 12.6
222 -3 3 3 29.65 59.299 0.321 5.93 2 4.5 0.2
223 -1 -2 4 29.665 59.33 0.321 5.92 2 45.9 15.8
224 -3 -3 1 29.671 59.342 0.321 5.92 2 8.5 0.5
225 3 1 3 29.762 59.523 0.322 5.88 2 17.6 2.3
226 -2 2 4 29.779 59.558 0.322 5.87 2 45.5 15.3
227 -5 2 0 29.816 59.633 0.323 5.85 2 32.7 7.9
228 2 -1 4 29.865 59.73 0.323 5.83 2 21.9 3.5
229 4 2 0 29.876 59.751 0.323 5.83 2 33.1 8.1
230 2 0 4 29.936 59.872 0.324 5.8 2 21.3 3.3
231 -5 2 1 29.989 59.979 0.324 5.78 2 54.5 21.7
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 0 0 5.752 11.503 7.6861 118.6 14.1 14.3 5.6
2 0 0 1 6.285 12.57 7.03624 12.5 1.5 1.5 5.6
3 -1 0 1 8.107 16.215 5.46185 14.6 1.7 1.8 5.6
4 0 1 1 8.979 17.958 4.93545 35.8 4.3 4.3 5.6
5 1 1 0 9.427 18.854 4.70273 19.3 2.3 2.3 5.6
6 -1 1 1 9.491 18.983 4.67123 45.6 5.4 5.5 5.6
7 1 -1 1 9.999 19.998 4.43621 21.9 2.6 2.6 5.6
8 -1 -1 1 10.94 21.879 4.05893 127.1 15.1 15.2 5.6
9 2 0 0 11.562 23.125 3.84305 255.2 30.4 30.5 5.6
10 -2 1 0 11.789 23.579 3.77004 68.8 8.2 8.2 5.6
11 0 0 2 12.647 25.294 3.51812 371.2 44.2 44.4 5.6
12 -2 1 1 12.936 25.871 3.44094 90.6 10.8 10.8 5.6
13 -1 0 2 13.4 26.799 3.32389 536.1 63.8 64.0 5.6
14 2 0 1 13.743 27.485 3.24244 23.9 2.8 2.8 5.6
15 0 -2 1 13.877 27.753 3.21175 12.3 1.5 1.5 5.6
16 -1 2 1 13.926 27.852 3.20058 12.2 1.4 1.5 5.6
17 0 -1 2 13.976 27.952 3.18932 74.3 8.8 8.9 5.6
18 0 1 2 14.296 28.591 3.11951 8.5 1.0 1.0 5.6
19 -1 1 2 14.379 28.757 3.10188 134.5 16.0 16.0 5.6
20 1 0 2 14.449 28.898 3.08709 399.6 47.6 47.6 5.6
21 -2 2 0 14.972 29.944 2.98156 840.1 100.0 100.0 5.6
22 1 2 0 15.006 30.012 2.97494 838.9 99.9 99.9 5.6
23 -1 -1 2 15.248 30.496 2.92883 97.6 11.6 11.6 5.6
24 -2 2 1 15.978 31.956 2.79833 48.1 5.7 5.7 5.6
25 2 1 1 16.319 32.638 2.74136 10.2 1.2 1.2 5.6
26 -2 0 2 16.383 32.766 2.73093 91.2 10.9 10.8 5.6
27 -2 1 2 16.687 33.373 2.68262 16.1 1.9 1.9 5.7
28 -3 1 0 17.144 34.288 2.61313 23.1 2.8 2.7 5.7
29 3 0 0 17.497 34.993 2.56203 94.6 11.3 11.2 5.7
30 0 -2 2 17.672 35.344 2.53744 28.8 3.4 3.4 5.7
31 -1 2 2 17.761 35.522 2.52509 28.6 3.4 3.4 5.7
32 1 -2 2 18.082 36.163 2.4818 112.5 13.4 13.3 5.7
33 2 0 2 18.114 36.228 2.47748 117.6 14.0 13.9 5.7
34 0 2 2 18.188 36.377 2.46772 108.9 13.0 12.9 5.7
35 3 -1 1 18.873 37.746 2.38132 21.7 2.6 2.6 5.7
36 -3 2 0 19.077 38.153 2.35681 82.1 9.8 9.7 5.7
37 2 2 0 19.122 38.245 2.35137 80.8 9.6 9.5 5.7
38 0 0 3 19.173 38.346 2.34541 75.1 8.9 8.9 5.7
39 3 0 1 19.259 38.518 2.33534 64.8 7.7 7.7 5.7
40 -1 0 3 19.505 39.011 2.30694 229.5 27.3 27.1 5.7
41 -2 -2 1 19.706 39.412 2.28437 27.1 3.2 3.2 5.7
42 0 -1 3 20.055 40.11 2.24625 11.0 1.3 1.3 5.7
43 2 -2 2 20.32 40.641 2.21811 34.0 4.0 4.0 5.7
44 0 1 3 20.404 40.809 2.20935 9.5 1.1 1.1 5.7
45 1 2 2 20.434 40.869 2.20625 33.8 4.0 4.0 5.7
46 3 -2 1 20.609 41.219 2.18834 159.5 19.0 18.8 5.7
47 2 2 1 20.696 41.392 2.17959 156.3 18.6 18.4 5.7
48 -3 0 2 20.748 41.496 2.17436 56.3 6.7 6.6 5.7
49 -2 0 3 21.574 43.147 2.09488 16.5 2.0 1.9 5.7
50 3 1 1 21.672 43.344 2.08581 15.6 1.9 1.8 5.7
51 -2 1 3 21.87 43.739 2.06789 12.3 1.5 1.5 5.7
52 -2 -2 2 22.306 44.611 2.02947 49.7 5.9 5.8 5.7
53 -3 2 2 22.347 44.694 2.0259 48.2 5.7 5.7 5.7
54 3 0 2 22.88 45.759 1.9812 65.5 7.8 7.7 5.7
55 1 -2 3 23.348 46.697 1.94357 24.9 3.0 2.9 5.7
56 -3 3 1 23.4 46.799 1.93956 15.0 1.8 1.8 5.7
57 0 2 3 23.474 46.949 1.93373 19.0 2.3 2.2 5.7
58 4 0 0 23.633 47.265 1.92153 60.7 7.2 7.1 5.7
59 3 -2 2 23.962 47.925 1.8966 16.0 1.9 1.9 5.7
60 2 2 2 24.078 48.156 1.88804 19.1 2.3 2.2 5.7
61 -4 2 0 24.119 48.238 1.88502 42.5 5.1 5.0 5.7
62 3 2 0 24.172 48.344 1.88112 52.9 6.3 6.2 5.7
63 -1 -3 2 24.379 48.758 1.86611 21.2 2.5 2.5 5.7
64 -3 -2 1 24.496 48.993 1.85773 102.4 12.2 12.0 5.7
65 -1 4 0 24.893 49.786 1.82997 352.5 42.0 41.1 5.7
66 4 0 1 25.196 50.392 1.80937 29.7 3.5 3.5 5.8
67 -2 -3 1 25.235 50.469 1.80679 23.6 2.8 2.7 5.8
68 2 -2 3 25.362 50.725 1.79829 48.3 5.7 5.6 5.8
69 2 1 3 25.453 50.906 1.79231 10.6 1.3 1.2 5.8
70 1 2 3 25.495 50.991 1.78953 46.9 5.6 5.5 5.8
71 4 -2 1 25.563 51.127 1.78509 9.6 1.1 1.1 5.8
72 3 2 1 25.651 51.302 1.77938 11.7 1.4 1.4 5.8
73 -3 3 2 25.786 51.573 1.7707 28.0 3.3 3.3 5.8
74 0 0 4 25.97 51.939 1.75906 142.0 16.9 16.5 5.8
75 -1 0 4 26.078 52.155 1.75227 46.5 5.5 5.4 5.8
76 -2 -2 3 26.449 52.898 1.72941 110.6 13.2 12.9 5.8
77 -3 2 3 26.521 53.043 1.72503 109.6 13.0 12.7 5.8
78 -3 -2 2 26.575 53.15 1.7218 148.5 17.7 17.2 5.8
79 2 -4 1 26.611 53.222 1.71963 15.7 1.9 1.8 5.8
80 0 4 1 26.711 53.422 1.71366 8.7 1.0 1.0 5.8
81 -4 3 0 26.94 53.88 1.70017 13.6 1.6 1.6 5.8
82 0 1 4 27.0 54.0 1.6967 16.1 1.9 1.9 5.8
83 1 -3 3 27.175 54.351 1.68657 11.2 1.3 1.3 5.8
84 -4 3 1 27.322 54.644 1.6782 16.2 1.9 1.9 5.8
85 -2 -3 2 27.376 54.753 1.67512 13.7 1.6 1.6 5.8
86 1 -1 4 27.58 55.159 1.66374 18.6 2.2 2.2 5.8
87 -2 0 4 27.612 55.224 1.66195 9.6 1.1 1.1 5.8
88 0 3 3 27.918 55.837 1.64515 8.5 1.0 1.0 5.8
89 1 -4 2 28.256 56.511 1.6271 24.1 2.9 2.8 5.8
90 -1 4 2 28.393 56.786 1.61987 34.9 4.2 4.0 5.8
91 4 -2 2 28.616 57.233 1.60829 85.2 10.1 9.9 5.8
92 0 -4 2 28.663 57.327 1.60588 64.9 7.7 7.5 5.8
93 3 2 2 28.732 57.464 1.60237 69.7 8.3 8.1 5.8
94 -2 4 2 28.773 57.546 1.60029 62.9 7.5 7.3 5.8
95 2 -4 2 29.215 58.431 1.57814 19.7 2.3 2.3 5.8
96 0 4 2 29.377 58.753 1.57024 19.5 2.3 2.2 5.8
97 1 -2 4 29.453 58.906 1.56653 24.4 2.9 2.8 5.8
98 0 2 4 29.594 59.188 1.55975 12.6 1.5 1.4 5.8
99 -1 -2 4 29.665 59.33 1.55634 16.3 1.9 1.9 5.8
100 -2 2 4 29.779 59.558 1.55094 17.7 2.1 2.0 5.8
101 4 2 0 29.876 59.751 1.54638 11.6 1.4 1.3 5.8
102 -5 2 1 29.989 59.979 1.54105 21.7 2.6 2.5 5.8
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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