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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SCORZALITE
1, g-lazulite
(Mg,Fe)Al(2)(OH)(2)[PO(4)](2)
Monoclinic P 2(1)/c Z = 2
P2(1)/c
31 .5 .1991
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 3, 198-199
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.15 alpha = 90.0
b = 7.31 beta = 120.58
c = 7.25 gamma = 90.0
Unit cell volume (cub. angs.) = 326.23
Molar volume ( cub.cm/mol.) = 98.25
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Fe = 0.76, Mg = 0.24
2 0.732 0.267 0.004 0.0 Al = 1.00
3 0.249 0.111 0.747 0.0 P = 1.00
4 0.746 0.13 0.747 0.0 OH = 1.00
5 0.219 0.0 0.905 0.0 O = 1.00
6 0.291 0.0 0.589 0.0 O = 1.00
7 0.046 0.254 0.129 0.0 O = 1.00
8 0.432 0.251 0.366 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.732 0.267 0.004
3 3 0.249 0.111 0.747
4 4 0.746 0.13 0.747
5 5 0.219 0.0 0.905
6 6 0.291 0.0 0.589
7 7 0.046 0.254 0.129
8 8 0.432 0.251 0.366
9 1 0.0 0.5 0.5
10 2 0.268 0.767 0.496
11 3 0.751 0.611 0.753
12 4 0.254 0.63 0.753
13 5 0.781 0.5 0.595
14 6 0.709 0.5 0.911
15 7 0.954 0.754 0.371
16 8 0.568 0.751 0.134
17 2 0.732 0.233 0.504
18 3 0.249 0.389 0.247
19 4 0.746 0.37 0.247
20 5 0.219 0.5 0.405
21 6 0.291 0.5 0.089
22 7 0.046 0.246 0.629
23 8 0.432 0.249 0.866
24 2 0.268 0.733 0.996
25 3 0.751 0.889 0.253
26 4 0.254 0.87 0.253
27 5 0.781 0.0 0.095
28 6 0.709 0.0 0.411
29 7 0.954 0.746 0.871
30 8 0.568 0.749 0.634
X-ray density (g/cm cub.) = 3.32
MU (1/cm) = 227.695 Mass attenuation coefficient (cm**2/g) = 68.591
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Mg 2.64 6
2.0436 4
2.0059 5
2.0291 7
2.0436 4
2.0059 5
2.0291 7
2 Al 2.364 6
2.162 4
1.9495 7
1.8083 6
1.8712 4
1.8536 8
2.0328 5
3 P 2.28 4
1.5055 5
1.5527 6
1.5966 7
1.5249 8
4 OH 3.36 12
3.1163 5
3.0012 6
2.6549 7
2.6726 8
2.9788 5
3.0198 6
2.8141 7
2.9176 8
2.5863 5
2.5003 6
3.0885 7
2.9978 8
5 O 3.312 9
3.1163 4
2.5911 6
3.1079 7
2.9788 4
2.8427 8
2.4999 7
2.48 8
2.5863 4
2.5735 7
6 O 3.312 9
3.0012 4
2.5911 5
2.942 8
3.0198 4
2.7682 7
2.6274 7
2.5105 8
2.5003 4
2.5958 8
7 O 3.312 9
2.6549 4
3.1079 5
2.3968 8
2.7682 6
2.8141 4
2.4999 5
2.6274 6
3.0885 4
2.5735 5
8 O 3.312 9
2.6726 4
2.942 6
2.3968 7
2.8427 5
2.9176 4
2.48 5
2.5105 6
2.9978 4
2.5958 6
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 7.189 14.377 0.081 124.77 2 34.5 278.5
2 1 1 -1 9.329 18.659 0.105 73.18 4 1.9 1.0
3 0 1 1 9.339 18.678 0.105 73.02 4 32.1 283.5
4 1 1 0 9.415 18.831 0.106 71.81 4 11.4 35.2
5 0 2 0 12.166 24.332 0.137 42.16 2 2.7 0.6
6 1 0 -2 12.268 24.537 0.138 41.42 2 27.1 57.2
7 1 1 -2 13.72 27.441 0.154 32.71 4 101.1 1257.5
8 2 1 -1 13.88 27.759 0.156 31.92 4 39.7 189.0
9 1 1 1 13.899 27.799 0.156 31.82 4 91.3 996.4
10 1 2 -1 14.129 28.259 0.158 30.73 4 8.3 7.9
11 0 2 1 14.136 28.272 0.159 30.7 4 72.9 612.6
12 1 2 0 14.188 28.375 0.159 30.46 4 37.3 159.6
13 2 0 -2 14.263 28.527 0.16 30.12 2 60.1 204.8
14 0 0 2 14.289 28.579 0.16 30.0 2 20.1 22.8
15 2 0 0 14.494 28.987 0.162 29.11 2 82.8 375.5
16 2 1 -2 15.543 31.087 0.174 25.06 4 8.1 6.1
17 0 1 2 15.567 31.135 0.174 24.97 4 3.8 1.4
18 2 1 0 15.756 31.513 0.176 24.33 4 4.9 2.2
19 1 2 -2 17.414 34.828 0.194 19.59 4 39.5 114.6
20 2 2 -1 17.543 35.086 0.196 19.27 4 66.9 324.4
21 1 2 1 17.559 35.118 0.196 19.23 4 7.2 3.7
22 2 2 -2 18.918 37.836 0.21 16.33 4 13.8 11.7
23 0 2 2 18.938 37.877 0.211 16.29 4 11.8 8.6
24 2 2 0 19.098 38.196 0.212 15.99 4 10.4 6.5
25 3 0 -2 19.146 38.293 0.213 15.9 2 45.6 62.2
26 1 0 2 19.186 38.372 0.213 15.83 2 33.6 33.5
27 1 3 -1 19.833 39.665 0.22 14.71 4 21.3 25.0
28 0 3 1 19.838 39.675 0.22 14.7 4 44.4 109.1
29 1 3 0 19.876 39.752 0.221 14.64 4 41.1 92.9
30 2 1 -3 19.96 39.92 0.222 14.5 4 39.0 83.1
31 1 1 -3 19.975 39.949 0.222 14.48 4 7.3 2.9
32 3 1 -2 20.151 40.302 0.224 14.2 4 21.2 23.9
33 1 1 2 20.189 40.378 0.224 14.14 4 8.5 3.8
34 3 1 -1 20.279 40.558 0.225 14.0 4 42.0 92.9
35 2 1 1 20.303 40.605 0.225 13.96 4 35.7 66.7
36 3 0 0 22.049 44.099 0.244 11.6 2 53.1 61.5
37 1 3 -2 22.389 44.779 0.247 11.21 4 49.2 102.1
38 2 3 -1 22.494 44.988 0.248 11.09 4 21.5 19.3
39 1 3 1 22.507 45.014 0.248 11.08 4 54.0 121.5
40 3 1 -3 22.6 45.201 0.249 10.98 4 46.0 87.2
41 0 1 3 22.639 45.279 0.25 10.93 4 27.1 30.1
42 2 2 -3 22.774 45.548 0.251 10.79 4 56.2 127.9
43 1 2 -3 22.787 45.574 0.251 10.77 4 9.1 3.4
44 3 2 -2 22.945 45.891 0.253 10.61 4 25.3 25.6
45 3 1 0 22.949 45.898 0.253 10.6 4 54.9 120.1
46 1 2 2 22.98 45.96 0.253 10.57 4 28.3 31.9
47 3 2 -1 23.061 46.122 0.254 10.49 4 5.7 1.3
48 2 2 1 23.082 46.165 0.254 10.46 4 54.1 115.0
49 2 3 -2 23.628 47.256 0.26 9.93 4 5.9 1.3
50 0 3 2 23.645 47.289 0.26 9.91 4 0.0 0.0
51 2 3 0 23.778 47.556 0.262 9.78 4 2.3 0.2
52 0 4 0 24.929 49.858 0.274 8.79 2 78.8 102.5
53 2 0 -4 25.15 50.299 0.276 8.61 2 77.9 98.3
54 3 2 -3 25.178 50.357 0.276 8.59 4 7.5 1.8
55 0 2 3 25.214 50.429 0.277 8.56 4 52.8 89.8
56 3 2 0 25.5 51.001 0.279 8.35 4 13.8 5.9
57 4 0 -2 25.531 51.062 0.28 8.32 2 70.6 78.1
58 2 0 2 25.579 51.157 0.28 8.29 2 26.4 10.9
59 2 1 -4 25.967 51.934 0.284 8.01 4 11.0 3.6
60 1 4 -1 26.048 52.096 0.285 7.95 4 14.4 6.2
61 0 4 1 26.052 52.104 0.285 7.95 4 8.4 2.1
62 1 4 0 26.083 52.167 0.285 7.93 4 24.8 18.3
63 3 0 -4 26.281 52.563 0.287 7.79 2 40.0 23.4
64 1 0 -4 26.312 52.625 0.288 7.77 2 21.3 6.6
65 4 1 -2 26.34 52.679 0.288 7.75 4 23.4 16.0
66 2 1 2 26.386 52.773 0.288 7.72 4 7.6 1.7
67 2 3 -3 26.947 53.894 0.294 7.36 4 22.4 13.9
68 1 3 -3 26.958 53.917 0.294 7.35 4 13.4 5.0
69 3 1 -4 27.074 54.149 0.295 7.28 4 7.7 1.6
70 3 3 -2 27.099 54.198 0.296 7.27 4 9.8 2.6
71 1 1 -4 27.105 54.21 0.296 7.26 4 27.4 20.5
72 1 3 2 27.129 54.259 0.296 7.25 4 19.7 10.6
73 3 3 -1 27.201 54.402 0.297 7.2 4 24.6 16.3
74 2 3 1 27.22 54.44 0.297 7.19 4 15.2 6.2
75 4 1 -3 27.286 54.572 0.298 7.15 4 20.5 11.3
76 1 1 3 27.343 54.686 0.298 7.12 4 43.1 49.6
77 4 1 -1 27.557 55.113 0.3 6.99 4 26.7 18.8
78 3 1 1 27.583 55.166 0.301 6.98 4 20.9 11.4
79 1 4 -2 28.166 56.332 0.306 6.66 4 19.0 9.1
80 2 4 -1 28.254 56.509 0.307 6.61 4 7.2 1.3
81 1 4 1 28.266 56.531 0.307 6.6 4 12.6 3.9
82 2 2 -4 28.318 56.636 0.308 6.57 4 88.0 191.6
83 4 2 -2 28.67 57.34 0.311 6.39 4 5.2 0.7
84 2 2 2 28.714 57.428 0.312 6.37 4 86.3 178.3
85 3 3 -3 29.1 58.199 0.316 6.18 4 63.1 92.5
86 0 3 3 29.132 58.265 0.316 6.17 4 32.5 24.5
87 2 4 -2 29.224 58.448 0.317 6.12 4 54.6 68.7
88 0 4 2 29.238 58.477 0.317 6.12 4 113.6 296.4
89 2 4 0 29.353 58.707 0.318 6.06 4 41.9 40.0
90 3 2 -4 29.365 58.73 0.318 6.06 4 16.9 6.5
91 3 3 0 29.392 58.783 0.319 6.05 4 75.2 128.5
92 1 2 -4 29.394 58.788 0.319 6.04 4 34.2 26.6
93 4 0 -4 29.522 59.045 0.32 5.99 2 99.3 110.9
94 4 2 -3 29.566 59.132 0.32 5.97 4 45.3 46.1
95 0 0 4 29.58 59.16 0.32 5.96 2 56.2 35.4
96 1 2 3 29.62 59.24 0.321 5.94 4 7.3 1.2
97 4 2 -1 29.823 59.647 0.323 5.85 4 52.0 59.4
98 3 2 1 29.848 59.697 0.323 5.84 4 7.1 1.1
99 4 0 0 30.036 60.072 0.325 5.76 2 126.7 173.8
100 4 1 -4 30.259 60.517 0.327 5.66 4 13.5 3.9
101 0 1 4 30.315 60.631 0.328 5.64 4 2.5 0.1
102 4 1 0 30.765 61.529 0.332 5.46 4 16.2 5.4
103 2 3 -4 31.983 63.965 0.344 5.01 4 13.2 3.3
104 2 4 -3 32.145 64.289 0.345 4.96 4 11.7 2.6
105 1 4 -3 32.155 64.31 0.345 4.95 4 12.6 3.0
106 3 4 -2 32.281 64.562 0.347 4.91 4 37.2 25.5
107 1 4 2 32.308 64.616 0.347 4.9 4 26.5 12.9
108 4 3 -2 32.31 64.62 0.347 4.9 4 20.8 8.0
109 2 3 2 32.351 64.702 0.347 4.89 4 10.7 2.1
110 3 4 -1 32.373 64.745 0.348 4.88 4 11.5 2.4
111 2 4 1 32.39 64.779 0.348 4.88 4 14.0 3.6
112 4 2 -4 32.407 64.815 0.348 4.87 4 17.6 5.7
113 0 2 4 32.462 64.924 0.348 4.85 4 9.4 1.6
114 1 5 -1 32.757 65.514 0.351 4.76 4 38.3 26.3
115 0 5 1 32.76 65.521 0.351 4.76 4 9.1 1.5
116 1 5 0 32.787 65.575 0.352 4.75 4 15.7 4.4
117 4 2 0 32.895 65.79 0.353 4.72 4 16.8 5.0
118 5 0 -2 32.914 65.828 0.353 4.71 2 4.6 0.2
119 3 3 -4 32.959 65.919 0.353 4.7 4 23.7 9.9
120 3 0 2 32.968 65.937 0.353 4.69 2 35.8 11.3
121 1 3 -4 32.987 65.973 0.353 4.69 4 53.0 49.5
122 3 1 -5 33.029 66.057 0.354 4.68 4 61.5 66.6
123 2 1 -5 33.045 66.091 0.354 4.67 4 33.3 19.4
124 4 3 -3 33.148 66.295 0.355 4.64 4 29.1 14.8
125 1 3 3 33.198 66.397 0.355 4.63 4 54.6 51.8
126 4 3 -1 33.389 66.778 0.357 4.57 4 34.0 19.8
127 3 3 1 33.413 66.825 0.357 4.56 4 6.7 0.8
128 5 1 -3 33.457 66.915 0.358 4.55 4 26.7 12.1
129 2 1 3 33.528 67.056 0.359 4.53 4 25.0 10.6
130 5 1 -2 33.608 67.215 0.359 4.51 4 31.7 17.0
131 3 1 2 33.661 67.323 0.36 4.49 4 50.2 42.6
132 3 4 -3 34.095 68.191 0.364 4.37 4 9.8 1.6
133 0 4 3 34.125 68.251 0.364 4.37 4 11.6 2.2
134 3 4 0 34.363 68.726 0.366 4.3 4 39.4 25.1
135 5 0 -4 34.505 69.009 0.368 4.27 2 6.1 0.3
136 1 0 4 34.584 69.168 0.368 4.25 2 22.2 3.9
137 1 5 -2 34.618 69.236 0.369 4.24 4 50.3 40.3
138 2 5 -1 34.697 69.394 0.369 4.22 4 37.5 22.3
139 1 5 1 34.707 69.414 0.37 4.22 4 20.8 6.8
140 4 1 -5 34.948 69.896 0.372 4.16 4 14.5 3.3
141 1 1 -5 34.997 69.994 0.372 4.15 4 3.0 0.1
142 3 2 -5 35.086 70.172 0.373 4.12 4 3.4 0.2
143 2 2 -5 35.102 70.204 0.373 4.12 4 47.4 34.8
144 5 1 -4 35.183 70.366 0.374 4.1 4 36.8 20.9
145 1 1 4 35.262 70.524 0.375 4.08 4 30.7 14.4
146 5 2 -3 35.503 71.006 0.377 4.03 4 7.1 0.8
147 2 5 -2 35.565 71.13 0.378 4.01 4 5.1 0.4
148 2 2 3 35.571 71.143 0.378 4.01 4 45.6 31.4
149 0 5 2 35.578 71.157 0.378 4.01 4 0.4 0.0
150 5 1 -1 35.623 71.245 0.378 4.0 4 22.6 7.7
151 5 2 -2 35.649 71.298 0.378 4.0 4 33.6 17.0
152 4 1 1 35.652 71.304 0.378 3.99 4 21.4 6.9
153 2 5 0 35.682 71.364 0.379 3.99 4 2.2 0.1
154 3 2 2 35.701 71.402 0.379 3.98 4 13.0 2.5
155 4 3 -4 35.834 71.669 0.38 3.95 4 13.9 2.9
156 0 3 4 35.887 71.773 0.38 3.94 4 7.1 0.7
157 4 3 0 36.3 72.599 0.384 3.86 4 11.3 1.9
158 2 4 -4 36.766 73.533 0.389 3.76 4 26.6 10.0
159 4 2 -5 36.956 73.912 0.39 3.73 4 47.3 31.4
160 1 2 -5 37.004 74.009 0.391 3.72 4 3.7 0.2
161 4 4 -2 37.074 74.147 0.391 3.71 4 135.3 255.1
162 2 4 2 37.112 74.224 0.392 3.7 4 61.3 52.3
163 5 2 -4 37.186 74.372 0.392 3.69 4 44.5 27.4
164 1 2 4 37.263 74.526 0.393 3.67 4 24.4 8.2
165 5 2 -1 37.616 75.232 0.396 3.61 4 3.8 0.2
166 4 2 1 37.645 75.29 0.396 3.6 4 41.5 23.3
167 3 4 -4 37.685 75.37 0.397 3.6 4 28.8 11.2
168 1 4 -4 37.71 75.421 0.397 3.59 4 20.0 5.4
169 4 4 -3 37.863 75.725 0.398 3.57 4 16.6 3.7
170 1 4 3 37.91 75.821 0.399 3.56 4 10.3 1.4
171 4 4 -1 38.091 76.182 0.4 3.53 4 4.6 0.3
172 3 4 1 38.113 76.226 0.401 3.53 4 12.5 2.1
173 2 5 -3 38.235 76.469 0.402 3.51 4 40.5 21.6
174 1 5 -3 38.244 76.488 0.402 3.5 4 20.4 5.5
175 3 5 -2 38.361 76.722 0.403 3.49 4 8.4 0.9
176 1 5 2 38.386 76.773 0.403 3.48 4 1.3 0.0
177 3 3 -5 38.405 76.811 0.403 3.48 4 38.0 18.9
178 2 3 -5 38.421 76.842 0.403 3.48 4 14.3 2.7
179 3 5 -1 38.446 76.892 0.404 3.47 4 9.3 1.1
180 2 5 1 38.462 76.924 0.404 3.47 4 33.5 14.7
181 5 1 -5 38.675 77.35 0.406 3.44 4 14.2 2.6
182 5 0 0 38.732 77.464 0.406 3.43 2 13.2 1.1
183 0 1 5 38.754 77.508 0.406 3.43 4 15.8 3.2
184 5 3 -3 38.809 77.617 0.407 3.42 4 1.9 0.0
185 2 3 3 38.875 77.75 0.407 3.41 4 14.8 2.8
186 5 3 -2 38.95 77.9 0.408 3.4 4 1.2 0.0
187 3 3 2 39.001 78.002 0.409 3.39 4 15.0 2.9
188 0 6 0 39.216 78.431 0.41 3.36 2 13.3 1.1
189 5 1 0 39.382 78.764 0.412 3.34 4 10.1 1.3
190 3 0 -6 39.604 79.207 0.414 3.31 2 29.5 5.4
191 3 5 -3 40.058 80.116 0.418 3.25 4 58.2 41.3
192 0 5 3 40.086 80.172 0.418 3.24 4 5.4 0.4
193 1 6 -1 40.101 80.201 0.418 3.24 4 17.2 3.6
194 0 6 1 40.104 80.207 0.418 3.24 4 36.0 15.8
195 1 6 0 40.129 80.257 0.418 3.24 4 22.8 6.3
196 4 3 -5 40.22 80.44 0.419 3.23 4 24.5 7.3
197 3 1 -6 40.25 80.5 0.419 3.22 4 50.5 30.9
198 1 3 -5 40.267 80.535 0.42 3.22 4 14.5 2.5
199 3 5 0 40.311 80.621 0.42 3.22 4 42.9 22.2
200 4 4 -4 40.424 80.848 0.421 3.2 4 0.7 0.0
201 5 3 -4 40.444 80.889 0.421 3.2 4 61.5 45.5
202 0 4 4 40.474 80.948 0.421 3.2 4 32.4 12.6
203 4 0 -6 40.496 80.991 0.422 3.19 2 38.1 8.7
204 1 3 4 40.52 81.039 0.422 3.19 4 56.2 37.9
205 2 0 -6 40.533 81.067 0.422 3.19 2 50.5 15.3
206 5 2 -5 40.618 81.235 0.423 3.18 4 2.3 0.1
207 0 2 5 40.696 81.392 0.423 3.17 4 41.5 20.6
208 5 3 -1 40.864 81.729 0.425 3.15 4 35.7 15.1
209 4 4 0 40.872 81.744 0.425 3.15 4 20.5 5.0
210 4 3 1 40.892 81.785 0.425 3.15 4 33.1 13.0
211 6 1 -3 40.922 81.843 0.425 3.15 4 25.6 7.8
212 6 0 -4 40.993 81.986 0.426 3.14 2 43.7 11.3
213 3 1 3 41.006 82.012 0.426 3.14 4 21.3 5.4
214 2 0 4 41.093 82.185 0.427 3.13 2 40.0 9.4
215 4 1 -6 41.139 82.277 0.427 3.12 4 13.1 2.0
216 2 1 -6 41.176 82.352 0.427 3.12 4 12.7 1.9
217 5 2 0 41.316 82.633 0.429 3.1 4 26.5 8.2
218 6 0 -2 41.328 82.656 0.429 3.1 2 39.8 9.2
219 4 0 2 41.39 82.78 0.429 3.1 2 27.9 4.5
220 6 1 -4 41.634 83.269 0.431 3.07 4 15.3 2.7
221 2 1 4 41.734 83.468 0.432 3.06 4 8.9 0.9
222 1 6 -2 41.835 83.671 0.433 3.05 4 23.9 6.6
223 2 6 -1 41.91 83.819 0.434 3.05 4 33.5 12.9
224 1 6 1 41.919 83.838 0.434 3.05 4 14.9 2.5
225 6 1 -2 41.968 83.937 0.434 3.04 4 9.3 1.0
226 4 1 2 42.031 84.061 0.435 3.04 4 1.2 0.0
227 3 2 -6 42.176 84.352 0.436 3.02 4 2.3 0.1
228 2 5 -4 42.602 85.204 0.439 2.99 4 9.6 1.0
229 2 6 -2 42.731 85.461 0.44 2.98 4 1.7 0.0
230 0 6 2 42.743 85.486 0.441 2.97 4 23.4 6.1
231 2 6 0 42.842 85.683 0.441 2.97 4 18.2 3.7
232 6 2 -3 42.842 85.684 0.441 2.97 4 36.9 15.2
233 4 5 -2 42.898 85.796 0.442 2.96 4 16.4 3.0
234 3 4 -5 42.915 85.83 0.442 2.96 4 10.6 1.2
235 3 2 3 42.926 85.851 0.442 2.96 4 6.1 0.4
236 2 4 -5 42.93 85.861 0.442 2.96 4 4.8 0.3
237 2 5 2 42.935 85.871 0.442 2.96 4 7.8 0.7
238 4 2 -6 43.057 86.115 0.443 2.95 4 2.8 0.1
239 2 2 -6 43.095 86.189 0.443 2.95 4 80.0 70.8
240 5 0 -6 43.186 86.372 0.444 2.94 2 10.2 0.6
241 1 0 -6 43.26 86.521 0.445 2.93 2 18.6 1.9
242 5 4 -3 43.309 86.618 0.445 2.93 4 9.3 0.9
243 2 4 3 43.374 86.748 0.446 2.93 4 7.2 0.6
244 5 4 -2 43.448 86.895 0.446 2.92 4 2.4 0.1
245 3 5 -4 43.489 86.978 0.447 2.92 4 4.7 0.2
246 3 4 2 43.497 86.994 0.447 2.92 4 28.6 9.0
247 1 5 -4 43.514 87.028 0.447 2.92 4 27.3 8.2
248 6 2 -4 43.55 87.1 0.447 2.91 4 13.7 2.1
249 2 2 4 43.649 87.298 0.448 2.91 4 74.5 60.6
250 4 5 -3 43.661 87.323 0.448 2.91 4 5.4 0.3
251 1 5 3 43.708 87.416 0.449 2.9 4 64.0 44.6
252 5 3 -5 43.815 87.631 0.449 2.9 4 0.4 0.0
253 5 1 -6 43.823 87.646 0.449 2.9 4 30.0 9.8
254 6 2 -2 43.882 87.765 0.45 2.89 4 5.7 0.4
255 4 5 -1 43.883 87.766 0.45 2.89 4 7.9 0.7
256 0 3 5 43.893 87.785 0.45 2.89 4 29.7 9.6
257 1 1 -6 43.897 87.795 0.45 2.89 4 14.6 2.3
258 3 5 1 43.905 87.809 0.45 2.89 4 17.9 3.5
259 4 2 2 43.944 87.889 0.45 2.89 4 3.0 0.1
260 6 1 -5 44.094 88.187 0.452 2.88 4 29.2 9.2
261 1 1 5 44.202 88.404 0.453 2.87 4 36.2 14.1
262 5 3 0 44.507 89.015 0.455 2.85 4 19.9 4.3
263 4 4 -5 44.696 89.391 0.457 2.84 4 2.6 0.1
264 1 4 -5 44.742 89.484 0.457 2.84 4 10.8 1.2
265 6 1 -1 44.758 89.516 0.457 2.84 4 17.5 3.3
266 5 1 1 44.792 89.584 0.457 2.84 4 57.7 35.6
267 5 4 -4 44.917 89.834 0.458 2.83 4 0.2 0.0
268 1 4 4 44.991 89.982 0.459 2.83 4 16.4 2.9
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 7.189 14.377 6.15558 278.5 22.1 22.4 5.6
2 0 1 1 9.339 18.678 4.74673 283.5 22.5 22.7 5.6
3 1 1 0 9.415 18.831 4.70854 35.2 2.8 2.8 5.6
4 1 0 -2 12.268 24.537 3.62499 57.2 4.5 4.6 5.6
5 1 1 -2 13.72 27.441 3.24761 1257.5 100.0 100.0 5.6
6 1 1 1 13.899 27.799 3.20658 1185.4 94.3 94.2 5.6
7 0 2 1 14.136 28.272 3.15402 620.4 49.3 49.3 5.6
8 1 2 0 14.188 28.375 3.14274 159.6 12.7 12.7 5.6
9 2 0 -2 14.263 28.527 3.12638 227.5 18.1 18.1 5.6
10 2 0 0 14.494 28.987 3.07779 375.5 29.9 29.8 5.6
11 1 2 -2 17.414 34.828 2.5738 114.6 9.1 9.1 5.7
12 2 2 -1 17.543 35.086 2.55551 328.1 26.1 25.9 5.7
13 2 2 -2 18.918 37.836 2.3758 20.3 1.6 1.6 5.7
14 3 0 -2 19.146 38.293 2.34854 62.2 4.9 4.9 5.7
15 1 0 2 19.186 38.372 2.34384 33.5 2.7 2.6 5.7
16 0 3 1 19.838 39.675 2.26983 134.1 10.7 10.6 5.7
17 1 3 0 19.876 39.752 2.26562 92.9 7.4 7.3 5.7
18 2 1 -3 19.96 39.92 2.25646 86.0 6.8 6.8 5.7
19 3 1 -2 20.151 40.302 2.23598 23.9 1.9 1.9 5.7
20 3 1 -1 20.279 40.558 2.22245 159.6 12.7 12.5 5.7
21 3 0 0 22.049 44.099 2.05186 61.5 4.9 4.8 5.7
22 1 3 -2 22.389 44.779 2.02226 102.1 8.1 8.0 5.7
23 1 3 1 22.507 45.014 2.01224 140.8 11.2 11.0 5.7
24 3 1 -3 22.6 45.201 2.00437 87.2 6.9 6.8 5.7
25 0 1 3 22.639 45.279 2.00108 30.1 2.4 2.4 5.7
26 2 2 -3 22.774 45.548 1.98991 131.2 10.4 10.3 5.7
27 3 1 0 22.949 45.898 1.97551 145.7 11.6 11.4 5.7
28 1 2 2 22.98 45.96 1.97301 31.9 2.5 2.5 5.7
29 2 2 1 23.082 46.165 1.96474 116.3 9.2 9.1 5.7
30 0 4 0 24.929 49.858 1.8275 102.5 8.2 8.0 5.7
31 2 0 -4 25.15 50.299 1.8125 98.3 7.8 7.6 5.8
32 0 2 3 25.214 50.429 1.80813 89.8 7.1 7.0 5.8
33 4 0 -2 25.531 51.062 1.78721 78.1 6.2 6.1 5.8
34 1 4 0 26.083 52.167 1.75192 18.3 1.5 1.4 5.8
35 3 0 -4 26.281 52.563 1.73965 23.4 1.9 1.8 5.8
36 4 1 -2 26.34 52.679 1.73607 22.6 1.8 1.8 5.8
37 2 3 -3 26.947 53.894 1.69978 18.8 1.5 1.5 5.8
38 1 1 -4 27.105 54.21 1.69062 35.3 2.8 2.7 5.8
39 3 3 -1 27.201 54.402 1.68509 22.6 1.8 1.7 5.8
40 1 1 3 27.343 54.686 1.67702 49.6 3.9 3.8 5.8
41 4 1 -1 27.557 55.113 1.66501 30.2 2.4 2.3 5.8
42 2 2 -4 28.318 56.636 1.6238 191.6 15.2 14.8 5.8
43 2 2 2 28.714 57.428 1.60329 178.3 14.2 13.7 5.8
44 3 3 -3 29.1 58.199 1.58387 92.5 7.4 7.1 5.8
45 0 3 3 29.132 58.265 1.58224 24.5 1.9 1.9 5.8
46 0 4 2 29.238 58.477 1.57701 365.2 29.0 28.1 5.8
47 2 4 0 29.353 58.707 1.57137 46.5 3.7 3.6 5.8
48 3 3 0 29.392 58.783 1.56951 155.1 12.3 11.9 5.8
49 4 0 -4 29.522 59.045 1.56319 110.9 8.8 8.5 5.8
50 4 2 -3 29.566 59.132 1.56108 81.4 6.5 6.3 5.8
51 4 2 -1 29.823 59.647 1.54884 60.5 4.8 4.6 5.8
52 4 0 0 30.036 60.072 1.53889 173.8 13.8 13.3 5.8
53 3 4 -2 32.281 64.562 1.44229 46.4 3.7 3.5 5.9
54 1 5 -1 32.757 65.514 1.4236 27.7 2.2 2.1 5.9
55 1 3 -4 32.987 65.973 1.41481 70.7 5.6 5.4 5.9
56 3 1 -5 33.029 66.057 1.41321 86.0 6.8 6.5 5.9
57 4 3 -3 33.148 66.295 1.40871 14.8 1.2 1.1 5.9
58 1 3 3 33.198 66.397 1.40681 51.8 4.1 3.9 5.9
59 4 3 -1 33.389 66.778 1.39969 20.6 1.6 1.6 5.9
60 5 1 -2 33.608 67.215 1.39164 17.0 1.4 1.3 5.9
61 3 1 2 33.661 67.323 1.38969 42.6 3.4 3.2 5.9
62 3 4 0 34.363 68.726 1.36469 25.1 2.0 1.9 5.9
63 1 5 -2 34.618 69.236 1.35588 40.3 3.2 3.0 5.9
64 2 5 -1 34.697 69.394 1.35318 29.1 2.3 2.2 5.9
65 2 2 -5 35.102 70.204 1.33953 34.8 2.8 2.6 5.9
66 5 1 -4 35.183 70.366 1.33685 20.9 1.7 1.6 5.9
67 1 1 4 35.262 70.524 1.33425 14.4 1.1 1.1 5.9
68 2 2 3 35.571 71.143 1.32415 31.4 2.5 2.4 5.9
69 5 2 -2 35.649 71.298 1.32165 31.5 2.5 2.4 5.9
70 4 2 -5 36.956 73.912 1.28123 31.4 2.5 2.4 6.0
71 4 4 -2 37.074 74.147 1.27775 255.1 20.3 19.1 6.0
72 2 4 2 37.112 74.224 1.27662 52.3 4.2 3.9 6.0
73 5 2 -4 37.186 74.372 1.27444 27.4 2.2 2.1 6.0
74 4 2 1 37.645 75.29 1.26117 23.3 1.9 1.7 6.0
75 3 4 -4 37.685 75.37 1.26003 16.6 1.3 1.2 6.0
76 2 5 -3 38.235 76.469 1.24463 27.1 2.2 2.0 6.0
77 3 3 -5 38.405 76.811 1.23994 21.5 1.7 1.6 6.0
78 2 5 1 38.462 76.924 1.2384 15.8 1.3 1.2 6.0
79 3 5 -3 40.058 80.116 1.1969 41.6 3.3 3.1 6.0
80 1 6 0 40.129 80.257 1.19515 25.7 2.0 1.9 6.0
81 3 1 -6 40.25 80.5 1.19215 40.8 3.2 3.0 6.0
82 3 5 0 40.311 80.621 1.19067 22.2 1.8 1.6 6.1
83 5 3 -4 40.444 80.889 1.1874 58.1 4.6 4.3 6.1
84 1 3 4 40.52 81.039 1.18558 61.9 4.9 4.6 6.1
85 0 2 5 40.696 81.392 1.18133 20.6 1.6 1.5 6.1
86 5 3 -1 40.864 81.729 1.17731 33.0 2.6 2.4 6.1
87 6 0 -4 40.993 81.986 1.17427 16.6 1.3 1.2 6.1
88 6 0 -2 41.328 82.656 1.16644 17.4 1.4 1.3 6.1
89 2 6 -1 41.91 83.819 1.15319 15.4 1.2 1.1 6.1
90 6 2 -3 42.842 85.684 1.1328 18.9 1.5 1.4 6.1
91 2 2 -6 43.095 86.189 1.12745 70.8 5.6 5.2 6.1
92 3 4 2 43.497 86.994 1.11907 17.1 1.4 1.2 6.1
93 2 2 4 43.649 87.298 1.11596 60.9 4.8 4.4 6.2
94 1 5 3 43.708 87.416 1.11476 44.6 3.6 3.2 6.2
95 0 3 5 43.893 87.785 1.11102 15.4 1.2 1.1 6.2
96 1 1 5 44.202 88.404 1.10484 14.1 1.1 1.0 6.2
97 5 1 1 44.792 89.584 1.09332 35.6 2.8 2.6 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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