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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BAYLDONITE
1
(Cu,Zn)(3)Pb[AsO(4)](2)(OH)(2)
Monoclinic C 2/c Z = 4
C2/c
27 .4 .1988
Ref.Str.:
Ghose S., Che Ng Wan (1979)
* Acta Cryst., B35, 819-823
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.147 alpha = 90.0
b = 5.892 beta = 106.05
c = 14.081 gamma = 90.0
Unit cell volume (cub. angs.) = 809.03
Molar volume ( cub.cm/mol.) = 121.83
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 Cu = 1.00
2 0.5 0.0 0.0 0.0 Cu = 1.00
3 0.25 0.25 0.5 0.0 Cu = 1.00
4 0.0 0.2698 0.25 0.0 Pb = 1.00
5 0.2974 0.2164 0.1405 0.0 As = 1.00
6 0.3672 0.459 0.1179 0.0 O = 1.00
7 0.1419 0.4986 0.4174 0.0 O = 1.00
8 0.1215 0.2212 0.0971 0.0 O = 1.00
9 0.3413 0.126 0.2578 0.0 O = 1.00
10 0.396 0.2487 0.4373 0.0 O = 1.00
11 0.38 0.109 0.354 0.0 H = 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 0.5 0.0 0.0
3 3 0.25 0.25 0.5
4 4 0.0 0.2698 0.25
5 5 0.2974 0.2164 0.1405
6 6 0.3672 0.459 0.1179
7 7 0.1419 0.4986 0.4174
8 8 0.1215 0.2212 0.0971
9 9 0.3413 0.126 0.2578
10 10 0.396 0.2487 0.4373
11 11 0.38 0.109 0.354
12 3 0.75 0.75 0.5
13 4 0.0 0.7302 0.75
14 5 0.7026 0.7836 0.8595
15 6 0.6328 0.541 0.8821
16 7 0.8581 0.5014 0.5826
17 8 0.8785 0.7788 0.9029
18 9 0.6587 0.874 0.7422
19 10 0.604 0.7513 0.5627
20 11 0.62 0.891 0.646
21 1 0.0 0.0 0.5
22 2 0.5 0.0 0.5
23 3 0.25 0.75 0.0
24 5 0.2974 0.7836 0.6405
25 6 0.3672 0.541 0.6179
26 7 0.1419 0.5014 0.9174
27 8 0.1215 0.7788 0.5971
28 9 0.3413 0.874 0.7578
29 10 0.396 0.7513 0.9373
30 11 0.38 0.891 0.854
31 3 0.75 0.25 0.0
32 5 0.7026 0.2164 0.3595
33 6 0.6328 0.459 0.3821
34 7 0.8581 0.4986 0.0826
35 8 0.8785 0.2212 0.4029
36 9 0.6587 0.126 0.2422
37 10 0.604 0.2487 0.0627
38 11 0.62 0.109 0.146
39 1 0.5 0.5 0.5
40 2 0.0 0.5 0.5
41 4 0.5 0.2302 0.75
42 5 0.7974 0.2836 0.6405
43 6 0.8672 0.041 0.6179
44 7 0.6419 0.0014 0.9174
45 8 0.6215 0.2788 0.5971
46 9 0.8413 0.374 0.7578
47 10 0.896 0.2513 0.9373
48 11 0.88 0.391 0.854
49 4 0.5 0.7698 0.25
50 5 0.2026 0.7164 0.3595
51 6 0.1328 0.959 0.3821
52 7 0.3581 0.9986 0.0826
53 8 0.3785 0.7212 0.4029
54 9 0.1587 0.626 0.2422
55 10 0.104 0.7487 0.0627
56 11 0.12 0.609 0.146
57 1 0.5 0.5 0.0
58 2 0.0 0.5 0.0
59 5 0.7974 0.7164 0.1405
60 6 0.8672 0.959 0.1179
61 7 0.6419 0.9986 0.4174
62 8 0.6215 0.7212 0.0971
63 9 0.8413 0.626 0.2578
64 10 0.896 0.7487 0.4373
65 11 0.88 0.609 0.354
66 5 0.2026 0.2836 0.8595
67 6 0.1328 0.041 0.8821
68 7 0.3581 0.0014 0.5826
69 8 0.3785 0.2788 0.9029
70 9 0.1587 0.374 0.7422
71 10 0.104 0.2513 0.5627
72 11 0.12 0.391 0.646
X-ray density (g/cm cub.) = 5.82
MU (1/cm) = 594.972 Mass attenuation coefficient (cm**2/g) = 102.148
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.808 6
2.0386 8
2.0386 8
1.8895 10
1.8895 10
2.4222 6
2.4222 6
2 Cu 2.808 6
1.8775 10
1.8775 10
2.0862 7
2.0862 7
2.2706 8
2.2706 8
3 Cu 2.808 6
1.999 7
1.9229 10
2.4532 6
2.4532 6
1.999 7
1.9229 10
4 Pb 3.144 8
2.7514 7
2.7758 8
2.7514 7
2.7758 8
2.6913 6
2.666 9
2.6913 6
2.666 9
5 As 2.46 4
1.6645 6
1.7195 8
1.6743 9
1.7229 7
6 O 3.264 11
2.8037 8
2.8435 9
3.113 7
3.1511 10
2.9909 10
3.2153 7
2.7548 7
3.2489 9
3.0826 10
3.0901 8
3.24 8
7 O 3.264 10
2.9146 10
3.113 6
3.0758 8
3.0911 8
2.7548 6
3.2153 6
2.7923 8
2.6289 9
2.977 10
2.6253 10
8 O 3.264 11
2.8037 6
2.7602 9
3.0758 7
3.0911 7
2.7356 10
2.7923 7
3.095 9
3.143 10
2.823 10
3.0901 6
3.24 6
9 O 3.264 6
2.8435 6
2.7602 8
2.5384 10
3.2489 6
2.6289 7
3.095 8
10 O 3.264 10
2.9146 7
2.5384 9
3.1511 6
2.9909 6
2.7356 8
3.0826 6
2.823 8
3.143 8
2.977 7
2.6253 7
11 H 1.632 2
1.3058 9
1.4051 10
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 0 0 2 6.537 13.074 0.074 151.35 2 5.8 1.6
2 1 1 0 8.786 17.572 0.099 82.79 4 68.4 236.9
3 1 1 -1 8.928 17.856 0.101 80.11 4 169.8 1411.4
4 2 0 0 9.09 18.18 0.103 77.2 2 174.8 721.1
5 2 0 -2 9.628 19.256 0.109 68.57 2 250.6 1316.0
6 1 1 1 9.815 19.629 0.111 65.91 4 249.9 2515.5
7 1 1 -2 10.193 20.387 0.115 60.95 4 91.0 308.6
8 1 1 2 11.72 23.441 0.132 45.58 4 5.4 0.8
9 1 1 -3 12.252 24.504 0.138 41.54 4 5.5 0.8
10 2 0 2 12.637 25.275 0.142 38.92 2 4.6 0.3
11 0 0 4 13.161 26.322 0.148 35.72 2 296.9 962.4
12 2 0 -4 13.802 27.603 0.155 32.3 2 588.7 3421.0
13 1 1 3 14.173 28.346 0.159 30.53 4 584.5 6373.9
14 1 1 -4 14.797 29.594 0.166 27.85 4 36.8 23.1
15 0 2 0 15.157 30.314 0.17 26.45 2 360.4 1049.9
16 3 1 -1 15.232 30.465 0.171 26.17 4 417.8 2791.5
17 3 1 -2 15.486 30.972 0.173 25.26 4 24.8 9.5
18 0 2 1 15.521 31.042 0.174 25.13 4 47.1 34.1
19 3 1 0 15.703 31.405 0.176 24.51 4 37.5 21.1
20 3 1 -3 16.433 32.867 0.184 22.22 4 405.1 2227.9
21 0 2 2 16.569 33.139 0.185 21.82 4 366.3 1789.2
22 3 1 1 16.842 33.684 0.188 21.06 4 418.3 2252.3
23 1 1 4 16.963 33.926 0.189 20.74 4 76.9 75.0
24 2 2 -1 17.616 35.232 0.196 19.1 4 140.2 229.3
25 1 1 -5 17.647 35.294 0.197 19.02 4 455.3 2410.2
26 4 0 -2 17.746 35.492 0.198 18.79 2 196.0 220.6
27 2 2 0 17.788 35.575 0.198 18.7 4 154.8 273.7
28 3 1 -4 17.977 35.954 0.2 18.27 4 14.7 2.4
29 2 2 -2 18.082 36.165 0.201 18.04 4 440.6 2139.5
30 2 0 4 18.117 36.233 0.202 17.96 2 435.8 1042.5
31 0 2 3 18.197 36.395 0.203 17.79 4 57.3 35.7
32 4 0 0 18.419 36.838 0.205 17.32 2 408.3 882.3
33 3 1 2 18.542 37.084 0.206 17.07 4 41.2 17.7
34 2 2 1 18.581 37.162 0.207 16.99 4 125.9 164.4
35 2 2 -3 19.146 38.292 0.213 15.9 4 37.7 13.8
36 2 0 -6 19.531 39.062 0.217 15.22 2 85.3 33.8
37 4 0 -4 19.543 39.085 0.217 15.2 2 508.2 1199.4
38 2 2 2 19.933 39.866 0.221 14.54 4 516.4 2369.8
39 0 0 6 19.97 39.941 0.222 14.48 2 28.9 3.7
40 1 1 5 19.981 39.962 0.222 14.47 4 88.9 69.9
41 3 1 -5 19.998 39.996 0.222 14.44 4 38.4 13.0
42 0 2 4 20.286 40.572 0.225 13.99 4 15.5 2.1
43 3 1 3 20.686 41.372 0.229 13.39 4 40.3 13.3
44 1 1 -6 20.71 41.42 0.23 13.36 4 41.3 14.0
45 2 2 -4 20.729 41.457 0.23 13.33 4 240.0 469.4
46 4 0 2 21.362 42.724 0.236 12.46 2 235.9 212.0
47 2 2 3 21.757 43.515 0.241 11.96 4 63.4 29.3
48 3 1 -6 22.394 44.788 0.247 11.21 4 39.7 10.8
49 0 2 5 22.736 45.472 0.251 10.83 4 87.1 50.2
50 2 2 -5 22.743 45.487 0.251 10.82 4 5.8 0.2
51 1 1 6 23.177 46.353 0.255 10.37 4 61.1 23.6
52 3 1 4 23.179 46.358 0.255 10.37 4 42.5 11.5
53 4 0 -6 23.328 46.656 0.257 10.22 2 36.4 4.1
54 1 3 0 23.583 47.166 0.26 9.97 4 116.6 82.8
55 1 3 -1 23.642 47.283 0.26 9.91 4 230.7 322.3
56 5 1 -2 23.67 47.34 0.261 9.88 4 48.1 14.0
57 4 2 -2 23.677 47.354 0.261 9.88 4 196.9 234.0
58 4 2 -1 23.695 47.389 0.261 9.86 4 101.8 62.4
59 5 1 -1 23.881 47.761 0.263 9.69 4 190.6 215.0
60 1 1 -7 23.943 47.886 0.263 9.63 4 350.7 723.8
61 5 1 -3 23.962 47.925 0.264 9.61 4 211.1 261.8
62 2 2 4 23.971 47.942 0.264 9.61 4 42.4 10.6
63 1 3 1 24.027 48.054 0.264 9.55 4 206.0 247.8
64 4 2 -3 24.161 48.321 0.266 9.44 4 152.2 133.6
65 1 3 -2 24.201 48.402 0.266 9.4 4 227.1 296.3
66 4 2 0 24.212 48.425 0.266 9.39 4 204.6 240.2
67 2 0 6 24.46 48.919 0.269 9.18 2 352.1 347.6
68 5 1 0 24.584 49.168 0.27 9.07 4 86.1 41.1
69 5 1 -4 24.744 49.488 0.272 8.94 4 20.1 2.2
70 1 3 2 24.954 49.908 0.274 8.77 4 16.5 1.5
71 3 1 -7 25.089 50.179 0.275 8.66 4 249.7 330.0
72 2 2 -6 25.114 50.228 0.275 8.64 4 521.6 1436.5
73 4 2 -4 25.123 50.247 0.276 8.63 4 12.5 0.8
74 4 2 1 25.207 50.414 0.276 8.57 4 17.3 1.6
75 1 3 -3 25.235 50.471 0.277 8.55 4 28.2 4.2
76 0 2 6 25.476 50.951 0.279 8.36 4 233.8 279.4
77 5 1 1 25.751 51.501 0.282 8.16 4 1.2 0.0
78 4 0 4 25.948 51.896 0.284 8.02 2 507.8 632.1
79 3 1 5 25.955 51.909 0.284 8.02 4 229.2 257.4
80 5 1 -5 25.982 51.965 0.284 8.0 4 473.6 1096.1
81 2 0 -8 26.027 52.055 0.285 7.97 2 118.3 34.1
82 1 3 3 26.327 52.653 0.288 7.76 4 452.1 969.2
83 2 2 5 26.507 53.014 0.29 7.64 4 21.9 2.2
84 4 2 -5 26.528 53.055 0.29 7.63 4 87.6 35.8
85 1 1 7 26.529 53.059 0.29 7.63 4 141.1 92.8
86 4 2 2 26.64 53.28 0.291 7.55 4 476.3 1047.1
87 1 3 -4 26.705 53.41 0.292 7.51 4 117.9 63.8
88 3 3 -1 26.975 53.951 0.294 7.34 4 248.0 275.9
89 0 0 8 27.089 54.179 0.296 7.27 2 624.5 866.5
90 6 0 -2 27.116 54.232 0.296 7.26 2 355.5 280.2
91 3 3 -2 27.135 54.27 0.296 7.24 4 25.3 2.8
92 3 3 0 27.273 54.546 0.297 7.16 4 0.1 0.0
93 1 1 -8 27.332 54.663 0.298 7.13 4 3.0 0.0
94 5 1 2 27.338 54.677 0.298 7.12 4 40.1 7.0
95 5 1 -6 27.635 55.269 0.301 6.95 4 7.0 0.2
96 3 3 -3 27.748 55.495 0.302 6.89 4 308.5 400.5
97 6 0 -4 27.75 55.5 0.302 6.88 2 344.4 249.4
98 2 2 -7 27.784 55.567 0.303 6.87 4 118.7 59.1
99 3 3 1 28.019 56.038 0.305 6.74 4 262.3 283.2
100 3 1 -8 28.038 56.075 0.305 6.72 4 52.6 11.4
101 1 3 4 28.1 56.199 0.306 6.69 4 25.4 2.6
102 6 0 0 28.291 56.582 0.308 6.59 2 377.4 286.7
103 4 2 -6 28.328 56.657 0.308 6.57 4 366.2 538.5
104 0 2 7 28.463 56.925 0.309 6.5 4 22.5 2.0
105 4 2 3 28.467 56.934 0.309 6.5 4 36.8 5.4
106 4 0 -8 28.497 56.995 0.31 6.48 2 611.2 739.9
107 1 3 -5 28.565 57.13 0.31 6.45 4 343.4 464.7
108 3 3 -4 28.793 57.586 0.313 6.33 4 106.7 44.1
109 3 1 6 28.973 57.947 0.314 6.24 4 30.0 3.4
110 3 3 2 29.19 58.38 0.317 6.14 4 78.5 23.1
111 5 1 3 29.303 58.606 0.318 6.09 4 371.5 513.3
112 2 2 6 29.321 58.641 0.318 6.08 4 600.5 1339.5
113 5 1 -7 29.657 59.313 0.321 5.92 4 94.8 32.5
114 1 1 8 30.039 60.078 0.325 5.76 4 29.6 3.1
115 6 0 -6 30.117 60.233 0.326 5.72 2 41.5 3.0
116 1 3 5 30.231 60.461 0.327 5.68 4 111.5 43.1
117 3 3 -5 30.243 60.487 0.327 5.67 4 4.0 0.1
118 4 2 -7 30.484 60.968 0.329 5.57 4 3.0 0.0
119 4 2 4 30.646 61.291 0.331 5.51 4 110.7 41.2
120 2 2 -8 30.717 61.434 0.332 5.48 4 249.3 208.0
121 3 3 3 30.756 61.512 0.332 5.46 4 8.4 0.2
122 1 3 -6 30.774 61.548 0.332 5.46 4 54.4 9.9
123 1 1 -9 30.879 61.759 0.333 5.41 4 215.7 153.9
124 6 0 2 31.14 62.28 0.336 5.31 2 24.4 1.0
125 3 1 -9 31.214 62.428 0.336 5.29 4 239.5 185.3
126 2 0 8 31.442 62.885 0.339 5.2 2 249.8 99.2
127 0 4 0 31.529 63.058 0.339 5.17 2 602.6 573.8
128 5 1 4 31.606 63.211 0.34 5.14 4 40.0 5.0
129 0 2 8 31.675 63.35 0.341 5.12 4 203.8 130.0
130 6 2 -2 31.7 63.399 0.341 5.11 4 706.7 1559.8
131 4 0 6 31.702 63.404 0.341 5.11 2 279.3 121.8
132 0 4 1 31.737 63.474 0.341 5.1 4 20.2 1.3
133 6 2 -3 31.782 63.564 0.342 5.08 4 44.4 6.1
134 5 1 -8 32.012 64.024 0.344 5.0 4 59.8 10.9
135 6 2 -1 32.032 64.063 0.344 5.0 4 43.5 5.8
136 3 3 -6 32.067 64.134 0.345 4.98 4 162.2 80.1
137 3 1 7 32.217 64.434 0.346 4.93 4 231.7 161.8
138 6 2 -4 32.276 64.553 0.347 4.91 4 46.3 6.4
139 0 4 2 32.356 64.712 0.347 4.89 4 99.2 29.4
140 2 2 7 32.387 64.773 0.348 4.88 4 25.2 1.9
141 1 3 6 32.685 65.37 0.351 4.78 4 150.7 66.4
142 3 3 4 32.687 65.374 0.351 4.78 4 145.1 61.6
143 6 2 0 32.771 65.542 0.351 4.75 4 43.7 5.6
144 4 2 -8 32.961 65.922 0.353 4.7 4 300.4 259.1
145 2 4 -1 33.003 66.007 0.354 4.68 4 134.2 51.5
146 5 3 -2 33.08 66.16 0.354 4.66 4 102.8 30.1
147 2 4 0 33.112 66.224 0.355 4.65 4 188.7 101.2
148 4 2 5 33.144 66.288 0.355 4.64 4 121.5 41.8
149 2 0 -10 33.164 66.328 0.355 4.64 2 85.6 10.4
150 6 2 -5 33.174 66.347 0.355 4.63 4 76.5 16.6
151 7 1 -3 33.197 66.394 0.355 4.63 4 145.8 60.1
152 5 3 -1 33.25 66.499 0.356 4.61 4 165.5 77.1
153 7 1 -2 33.272 66.545 0.356 4.6 4 47.9 6.4
154 1 3 -7 33.3 66.6 0.356 4.6 4 280.5 221.0
155 2 4 -2 33.3 66.601 0.356 4.6 4 162.2 73.8
156 5 3 -3 33.316 66.631 0.357 4.59 4 175.7 86.6
157 0 4 3 33.374 66.749 0.357 4.57 4 195.2 106.5
158 7 1 -4 33.526 67.053 0.359 4.53 4 85.5 20.2
159 2 4 1 33.624 67.248 0.359 4.5 4 223.7 137.7
160 1 1 9 33.719 67.438 0.36 4.48 4 81.8 18.3
161 7 1 -1 33.751 67.501 0.361 4.47 4 173.9 82.5
162 5 3 0 33.821 67.643 0.361 4.45 4 182.4 90.4
163 2 2 -9 33.896 67.793 0.362 4.43 4 147.5 58.9
164 6 2 1 33.904 67.808 0.362 4.42 4 78.7 16.7
165 5 3 -4 33.952 67.905 0.363 4.41 4 13.6 0.5
166 6 0 -8 33.997 67.995 0.363 4.4 2 244.8 80.6
167 2 4 -3 33.998 67.996 0.363 4.4 4 15.8 0.7
168 5 1 5 34.219 68.437 0.365 4.34 4 314.1 261.7
169 3 3 -7 34.237 68.473 0.365 4.34 4 165.3 72.4
170 7 1 -5 34.254 68.508 0.365 4.33 4 9.1 0.2
171 6 2 -6 34.458 68.916 0.367 4.28 4 244.6 156.4
172 2 4 2 34.531 69.062 0.368 4.26 4 38.3 3.8
173 1 1 -10 34.602 69.204 0.369 4.24 4 20.9 1.1
174 3 1 -10 34.614 69.228 0.369 4.24 4 52.1 7.0
175 7 1 0 34.624 69.247 0.369 4.24 4 12.8 0.4
176 5 1 -9 34.674 69.348 0.369 4.22 4 146.2 55.2
177 0 0 10 34.696 69.392 0.369 4.22 2 102.9 13.7
178 4 0 -10 34.719 69.439 0.37 4.21 2 14.9 0.3
179 0 4 4 34.775 69.549 0.37 4.2 4 249.1 159.2
180 5 3 1 34.786 69.572 0.37 4.2 4 25.5 1.7
181 3 3 5 34.956 69.913 0.372 4.16 4 200.5 102.1
182 5 3 -5 34.98 69.959 0.372 4.15 4 430.7 470.4
183 2 4 -4 35.084 70.168 0.373 4.12 4 392.6 388.6
184 0 2 9 35.111 70.223 0.373 4.12 4 26.8 1.8
185 7 1 -6 35.369 70.738 0.376 4.06 4 46.0 5.2
186 6 2 2 35.413 70.827 0.376 4.05 4 245.0 148.5
187 6 0 4 35.435 70.869 0.376 4.04 2 216.2 57.8
188 1 3 7 35.44 70.881 0.376 4.04 4 190.0 89.2
189 3 1 8 35.686 71.372 0.379 3.99 4 0.1 0.0
190 2 2 8 35.697 71.394 0.379 3.98 4 7.7 0.1
191 4 2 -9 35.738 71.475 0.379 3.98 4 17.7 0.8
192 2 4 3 35.819 71.639 0.38 3.96 4 119.1 34.3
193 7 1 1 35.878 71.757 0.38 3.95 4 424.1 433.7
194 4 2 6 35.941 71.882 0.381 3.93 4 140.5 47.4
195 6 2 -7 36.111 72.222 0.383 3.9 4 91.6 20.0
196 1 3 -8 36.123 72.247 0.383 3.89 4 51.5 6.3
197 5 3 2 36.129 72.258 0.383 3.89 4 84.1 16.8
198 5 3 -6 36.383 72.767 0.385 3.84 4 60.8 8.7
199 0 4 5 36.539 73.078 0.386 3.81 4 214.3 106.9
200 2 4 -5 36.545 73.089 0.387 3.81 4 26.9 1.7
201 3 3 -8 36.731 73.462 0.388 3.77 4 26.3 1.6
202 7 1 -7 36.856 73.712 0.389 3.75 4 345.0 272.5
203 5 1 6 37.127 74.254 0.392 3.7 4 29.8 2.0
204 4 4 -2 37.249 74.498 0.393 3.67 4 100.8 22.8
205 4 4 -1 37.262 74.525 0.393 3.67 4 160.0 57.4
206 6 2 3 37.281 74.562 0.393 3.67 4 93.0 19.4
207 2 2 -10 37.323 74.646 0.394 3.66 4 389.9 340.0
208 2 4 4 37.474 74.948 0.395 3.63 4 302.0 202.5
209 7 1 2 37.501 75.001 0.395 3.63 4 2.2 0.0
210 3 3 6 37.547 75.093 0.396 3.62 4 90.2 18.0
211 8 0 -4 37.561 75.122 0.396 3.62 2 383.8 162.8
212 1 1 10 37.596 75.192 0.396 3.61 4 68.5 10.4
213 8 0 -2 37.614 75.228 0.396 3.61 2 129.4 18.5
214 4 4 -3 37.62 75.24 0.396 3.61 4 177.6 69.5
215 5 1 -10 37.63 75.26 0.396 3.61 4 98.0 21.2
216 4 4 0 37.66 75.32 0.397 3.6 4 377.4 313.4
217 5 3 3 37.836 75.672 0.398 3.57 4 332.6 241.5
218 6 2 -8 38.117 76.234 0.401 3.52 4 32.3 2.2
219 5 3 -7 38.149 76.297 0.401 3.52 4 98.3 20.8
220 3 1 -11 38.249 76.498 0.402 3.5 4 442.1 418.4
221 2 4 -6 38.365 76.73 0.403 3.49 4 97.6 20.3
222 4 4 -4 38.372 76.745 0.403 3.48 4 395.1 332.4
223 4 4 1 38.438 76.877 0.404 3.47 4 16.4 0.6
224 4 0 8 38.455 76.91 0.404 3.47 2 355.6 134.1
225 1 3 8 38.488 76.976 0.404 3.47 4 184.5 72.1
226 1 1 -11 38.53 77.061 0.404 3.46 4 23.0 1.1
227 0 4 6 38.652 77.303 0.405 3.44 4 59.0 7.3
228 7 1 -8 38.702 77.405 0.406 3.43 4 31.8 2.1
229 0 2 10 38.785 77.57 0.407 3.42 4 391.6 320.7
230 4 2 -10 38.808 77.615 0.407 3.42 4 228.5 109.0
231 4 2 7 39.031 78.063 0.409 3.38 4 119.0 29.3
232 8 0 -6 39.035 78.07 0.409 3.38 2 169.5 29.7
233 2 0 10 39.155 78.311 0.41 3.37 2 34.6 1.2
234 8 0 0 39.193 78.385 0.41 3.36 2 378.0 146.8
235 6 0 -10 39.2 78.4 0.41 3.36 2 218.4 49.0
236 1 3 -9 39.239 78.479 0.411 3.36 4 224.7 103.6
237 2 2 9 39.262 78.525 0.411 3.35 4 79.0 12.8
238 3 1 9 39.397 78.794 0.412 3.33 4 447.4 407.8
239 7 1 3 39.477 78.954 0.413 3.32 4 86.0 15.0
240 2 4 5 39.482 78.964 0.413 3.32 4 14.1 0.4
241 6 2 4 39.495 78.989 0.413 3.32 4 34.2 2.4
242 4 4 -5 39.499 78.997 0.413 3.32 4 90.5 16.6
243 3 3 -9 39.541 79.082 0.413 3.31 4 159.7 51.7
244 4 4 2 39.59 79.181 0.414 3.31 4 124.4 31.3
245 5 3 4 39.895 79.791 0.416 3.27 4 1.6 0.0
246 5 3 -8 40.265 80.529 0.42 3.22 4 134.8 35.8
247 5 1 7 40.331 80.662 0.42 3.21 4 216.2 91.8
248 3 3 7 40.452 80.904 0.421 3.2 4 143.1 40.0
249 6 2 -9 40.465 80.93 0.421 3.2 4 3.1 0.0
250 2 4 -7 40.534 81.069 0.422 3.19 4 180.4 63.4
251 5 1 -11 40.883 81.766 0.425 3.15 4 73.0 10.3
252 7 1 -9 40.898 81.796 0.425 3.15 4 266.9 137.1
253 4 4 -6 40.992 81.983 0.426 3.14 4 35.4 2.4
254 2 2 -11 41.016 82.031 0.426 3.14 4 46.2 4.1
255 6 0 6 41.021 82.042 0.426 3.14 2 224.3 48.2
256 2 0 -12 41.084 82.168 0.427 3.13 2 349.3 116.6
257 0 4 7 41.105 82.21 0.427 3.13 4 49.6 4.7
258 4 4 3 41.108 82.217 0.427 3.13 4 9.5 0.2
259 1 5 0 41.18 82.359 0.427 3.12 4 138.0 36.3
260 1 5 -1 41.223 82.446 0.428 3.11 4 159.5 48.4
261 7 3 -3 41.352 82.705 0.429 3.1 4 146.9 40.9
262 8 2 -3 41.392 82.783 0.429 3.1 4 70.8 9.5
263 7 3 -2 41.422 82.844 0.429 3.09 4 107.0 21.6
264 1 5 1 41.51 83.021 0.43 3.09 4 119.4 26.9
265 8 2 -4 41.553 83.106 0.431 3.08 4 173.8 56.9
266 8 2 -2 41.605 83.209 0.431 3.08 4 139.5 36.6
267 1 5 -2 41.641 83.282 0.431 3.07 4 247.9 115.4
268 7 3 -4 41.657 83.314 0.431 3.07 4 171.9 55.4
269 1 1 11 41.712 83.424 0.432 3.07 4 324.8 197.7
270 7 1 4 41.801 83.603 0.433 3.06 4 64.5 7.8
271 1 3 9 41.836 83.672 0.433 3.05 4 92.0 15.8
272 2 4 6 41.836 83.673 0.433 3.05 4 207.6 80.4
273 7 3 -1 41.865 83.73 0.433 3.05 4 167.4 52.2
274 4 0 -12 41.962 83.924 0.434 3.04 2 233.9 50.8
275 8 0 -8 41.991 83.982 0.434 3.04 2 410.1 156.1
276 6 2 5 42.049 84.097 0.435 3.03 4 4.7 0.0
277 8 2 -5 42.087 84.175 0.435 3.03 4 4.2 0.0
278 3 1 -12 42.149 84.298 0.436 3.02 4 28.2 1.5
279 4 2 -11 42.18 84.36 0.436 3.02 4 103.8 19.9
280 8 2 -1 42.191 84.382 0.436 3.02 4 112.2 23.2
281 1 5 2 42.214 84.428 0.436 3.02 4 31.7 1.9
282 8 0 2 42.25 84.5 0.436 3.02 2 5.6 0.0
283 5 3 5 42.301 84.603 0.437 3.01 4 239.5 105.5
284 7 3 -5 42.334 84.669 0.437 3.01 4 33.8 2.1
285 4 2 8 42.426 84.851 0.438 3.0 4 81.3 12.1
286 1 5 -3 42.431 84.862 0.438 3.0 4 44.0 3.5
287 1 3 -10 42.66 85.321 0.44 2.98 4 170.8 53.1
288 3 3 -10 42.671 85.343 0.44 2.98 4 24.0 1.1
289 7 3 0 42.68 85.361 0.44 2.98 4 5.2 0.0
290 1 1 -12 42.71 85.42 0.44 2.98 4 76.5 10.6
291 5 3 -9 42.728 85.455 0.44 2.98 4 140.5 35.9
292 0 2 11 42.73 85.46 0.44 2.98 4 3.8 0.0
293 4 4 -7 42.846 85.692 0.441 2.97 4 19.0 0.7
294 4 4 4 42.988 85.976 0.443 2.95 4 402.4 292.5
295 8 2 -6 42.993 85.986 0.443 2.95 4 401.4 290.9
296 2 4 -8 43.051 86.102 0.443 2.95 4 160.0 46.2
297 0 0 12 43.084 86.168 0.443 2.95 2 372.6 125.0
298 2 2 10 43.111 86.223 0.444 2.95 4 240.6 104.2
299 8 2 0 43.148 86.296 0.444 2.94 4 21.3 0.8
300 6 2 -10 43.155 86.311 0.444 2.94 4 468.0 393.9
301 1 5 3 43.288 86.576 0.445 2.93 4 334.0 199.9
302 7 3 -6 43.382 86.765 0.446 2.93 4 70.3 8.8
303 3 1 10 43.386 86.773 0.446 2.93 4 21.7 0.8
304 7 1 -10 43.441 86.882 0.446 2.92 4 26.6 1.3
305 1 5 -4 43.591 87.182 0.448 2.91 4 102.5 18.7
306 3 3 8 43.683 87.365 0.448 2.9 4 50.6 4.5
307 3 5 -1 43.809 87.618 0.449 2.9 4 148.1 38.8
308 5 1 8 43.848 87.696 0.45 2.89 4 71.3 9.0
309 7 3 1 43.866 87.731 0.45 2.89 4 393.1 273.3
310 0 4 8 43.901 87.803 0.45 2.89 4 393.7 273.8
311 6 4 -2 43.923 87.846 0.45 2.89 4 172.7 52.6
312 3 5 -2 43.939 87.877 0.45 2.89 4 54.6 5.3
313 6 4 -3 43.997 87.993 0.451 2.88 4 20.7 0.8
314 3 5 0 44.051 88.102 0.451 2.88 4 27.2 1.3
315 9 1 -3 44.114 88.227 0.452 2.88 4 268.7 127.0
316 9 1 -4 44.131 88.262 0.452 2.88 4 19.2 0.6
317 6 4 -1 44.221 88.442 0.453 2.87 4 7.0 0.1
318 8 2 -7 44.269 88.537 0.453 2.87 4 21.3 0.8
319 3 5 -3 44.44 88.879 0.454 2.86 4 187.4 61.3
320 6 4 -4 44.442 88.883 0.454 2.86 4 209.7 76.8
321 5 1 -12 44.455 88.91 0.455 2.86 4 5.0 0.0
322 9 1 -2 44.467 88.935 0.455 2.86 4 9.6 0.2
323 8 2 1 44.475 88.949 0.455 2.86 4 54.4 5.2
324 7 1 5 44.476 88.952 0.455 2.86 4 125.0 27.3
325 9 1 -5 44.52 89.04 0.455 2.85 4 293.1 149.8
326 2 4 7 44.541 89.082 0.455 2.85 4 27.2 1.3
327 3 5 1 44.664 89.328 0.456 2.85 4 224.7 87.8
328 1 5 4 44.731 89.462 0.457 2.84 4 50.3 4.4
329 7 3 -7 44.799 89.599 0.457 2.84 4 320.8 178.5
330 6 4 0 44.89 89.78 0.458 2.83 4 228.6 90.5
331 6 2 6 44.951 89.902 0.459 2.83 4 456.5 360.5
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 1 0 8.786 17.572 5.04294 236.9 3.7 3.7 5.6
2 1 1 -1 8.928 17.856 4.96339 1411.4 22.1 22.3 5.6
3 2 0 0 9.09 18.18 4.87574 721.1 11.3 11.4 5.6
4 2 0 -2 9.628 19.256 4.60545 1316.0 20.6 20.8 5.6
5 1 1 1 9.815 19.629 4.51879 2515.5 39.5 39.7 5.6
6 1 1 -2 10.193 20.387 4.35257 308.6 4.8 4.9 5.6
7 0 0 4 13.161 26.322 3.38303 962.4 15.1 15.1 5.6
8 2 0 -4 13.802 27.603 3.22888 3421.0 53.7 53.7 5.6
9 1 1 3 14.173 28.346 3.14594 6373.9 100.0 100.0 5.6
10 0 2 0 15.157 30.314 2.946 1049.9 16.5 16.4 5.6
11 3 1 -1 15.232 30.465 2.93179 2791.5 43.8 43.7 5.6
12 3 1 -3 16.433 32.867 2.7228 2227.9 35.0 34.8 5.6
13 0 2 2 16.569 33.139 2.70107 1789.2 28.1 28.0 5.6
14 3 1 1 16.842 33.684 2.65857 2252.3 35.3 35.2 5.7
15 1 1 4 16.963 33.926 2.6402 75.0 1.2 1.2 5.7
16 2 2 -1 17.616 35.232 2.54521 229.3 3.6 3.6 5.7
17 1 1 -5 17.647 35.294 2.54088 2410.2 37.8 37.6 5.7
18 4 0 -2 17.746 35.492 2.52715 220.6 3.5 3.4 5.7
19 2 2 0 17.788 35.575 2.52147 273.7 4.3 4.3 5.7
20 2 2 -2 18.082 36.165 2.4817 2139.5 33.6 33.3 5.7
21 2 0 4 18.117 36.233 2.47717 1042.5 16.4 16.2 5.7
22 4 0 0 18.419 36.838 2.43787 882.3 13.8 13.7 5.7
23 2 2 1 18.581 37.162 2.41735 164.4 2.6 2.6 5.7
24 4 0 -4 19.543 39.085 2.30273 1233.2 19.3 19.2 5.7
25 2 2 2 19.933 39.866 2.25939 2369.8 37.2 36.8 5.7
26 3 1 -5 19.998 39.996 2.25235 86.6 1.4 1.3 5.7
27 2 2 -4 20.729 41.457 2.17629 496.6 7.8 7.7 5.7
28 4 0 2 21.362 42.724 2.11465 212.0 3.3 3.3 5.7
29 1 3 0 23.583 47.166 1.92534 82.8 1.3 1.3 5.7
30 1 3 -1 23.642 47.283 1.92082 336.3 5.3 5.2 5.7
31 4 2 -2 23.677 47.354 1.91811 296.5 4.7 4.6 5.7
32 5 1 -1 23.881 47.761 1.90271 215.0 3.4 3.3 5.7
33 1 1 -7 23.943 47.886 1.89806 996.2 15.6 15.3 5.7
34 1 3 1 24.027 48.054 1.89179 247.8 3.9 3.8 5.7
35 4 2 -3 24.161 48.321 1.88196 133.6 2.1 2.1 5.7
36 1 3 -2 24.201 48.402 1.87902 536.5 8.4 8.3 5.7
37 2 0 6 24.46 48.919 1.86035 347.6 5.5 5.3 5.7
38 2 2 -6 25.114 50.228 1.8149 1766.5 27.7 27.1 5.8
39 0 2 6 25.476 50.951 1.79082 279.4 4.4 4.3 5.8
40 4 0 4 25.948 51.896 1.76041 889.5 14.0 13.6 5.8
41 5 1 -5 25.982 51.965 1.75825 1096.1 17.2 16.8 5.8
42 1 3 3 26.327 52.653 1.73687 969.2 15.2 14.8 5.8
43 1 1 7 26.529 53.059 1.72455 130.8 2.1 2.0 5.8
44 4 2 2 26.64 53.28 1.7179 1047.1 16.4 16.0 5.8
45 1 3 -4 26.705 53.41 1.71403 63.8 1.0 1.0 5.8
46 3 3 -1 26.975 53.951 1.69813 275.9 4.3 4.2 5.8
47 0 0 8 27.089 54.179 1.69152 1146.6 18.0 17.5 5.8
48 3 3 -3 27.748 55.495 1.65446 649.9 10.2 9.9 5.8
49 3 3 1 28.019 56.038 1.63973 294.5 4.6 4.5 5.8
50 6 0 0 28.291 56.582 1.62525 286.7 4.5 4.4 5.8
51 4 2 -6 28.328 56.657 1.62327 538.5 8.4 8.2 5.8
52 4 0 -8 28.497 56.995 1.61444 739.9 11.6 11.3 5.8
53 1 3 -5 28.565 57.13 1.61094 464.7 7.3 7.1 5.8
54 2 2 6 29.321 58.641 1.57297 1852.8 29.1 28.1 5.8
55 2 2 -8 30.717 61.434 1.508 208.0 3.3 3.1 5.8
56 1 1 -9 30.879 61.759 1.50084 153.9 2.4 2.3 5.8
57 3 1 -9 31.214 62.428 1.48635 185.3 2.9 2.8 5.8
58 2 0 8 31.442 62.885 1.47665 99.2 1.6 1.5 5.9
59 0 4 0 31.529 63.058 1.473 573.8 9.0 8.7 5.9
60 6 2 -2 31.7 63.399 1.4659 1811.6 28.4 27.3 5.9
61 3 3 -6 32.067 64.134 1.45086 80.1 1.3 1.2 5.9
62 3 1 7 32.217 64.434 1.44483 161.8 2.5 2.4 5.9
63 1 3 6 32.685 65.37 1.42639 127.9 2.0 1.9 5.9
64 4 2 -8 32.961 65.922 1.41579 259.1 4.1 3.9 5.9
65 2 4 0 33.112 66.224 1.41006 101.2 1.6 1.5 5.9
66 7 1 -3 33.197 66.394 1.40685 76.6 1.2 1.1 5.9
67 5 3 -1 33.25 66.499 1.40488 83.6 1.3 1.3 5.9
68 1 3 -7 33.3 66.6 1.40301 381.5 6.0 5.7 5.9
69 0 4 3 33.374 66.749 1.40023 106.5 1.7 1.6 5.9
70 2 4 1 33.624 67.248 1.39105 137.7 2.2 2.1 5.9
71 7 1 -1 33.751 67.501 1.38645 82.5 1.3 1.2 5.9
72 5 3 0 33.821 67.643 1.38389 90.4 1.4 1.4 5.9
73 2 2 -9 33.896 67.793 1.38119 75.6 1.2 1.1 5.9
74 6 0 -8 33.997 67.995 1.37758 81.2 1.3 1.2 5.9
75 5 1 5 34.219 68.437 1.36974 334.2 5.2 5.0 5.9
76 6 2 -6 34.458 68.916 1.3614 156.4 2.5 2.3 5.9
77 5 1 -9 34.674 69.348 1.35397 68.9 1.1 1.0 5.9
78 0 4 4 34.775 69.549 1.35054 160.9 2.5 2.4 5.9
79 5 3 -5 34.98 69.959 1.34362 572.5 9.0 8.5 5.9
80 2 4 -4 35.084 70.168 1.34014 390.4 6.1 5.8 5.9
81 6 2 2 35.413 70.827 1.32928 295.5 4.6 4.4 5.9
82 7 1 1 35.878 71.757 1.31432 433.7 6.8 6.4 5.9
83 0 4 5 36.539 73.078 1.29379 108.6 1.7 1.6 6.0
84 7 1 -7 36.856 73.712 1.28421 272.5 4.3 4.0 6.0
85 4 4 -1 37.262 74.525 1.27221 99.7 1.6 1.5 6.0
86 2 2 -10 37.323 74.646 1.27044 340.0 5.3 5.0 6.0
87 2 4 4 37.474 74.948 1.26608 202.5 3.2 3.0 6.0
88 8 0 -4 37.561 75.122 1.26358 180.8 2.8 2.7 6.0
89 4 4 -3 37.62 75.24 1.26188 119.5 1.9 1.8 6.0
90 4 4 0 37.66 75.32 1.26074 313.4 4.9 4.6 6.0
91 5 3 3 37.836 75.672 1.25574 241.5 3.8 3.6 6.0
92 3 1 -11 38.249 76.498 1.24424 418.4 6.6 6.2 6.0
93 4 4 -4 38.372 76.745 1.24085 352.7 5.5 5.2 6.0
94 4 0 8 38.455 76.91 1.23859 134.1 2.1 2.0 6.0
95 1 3 8 38.488 76.976 1.2377 72.1 1.1 1.1 6.0
96 0 2 10 38.785 77.57 1.22969 429.7 6.7 6.3 6.0
97 8 0 0 39.193 78.385 1.21893 195.8 3.1 2.9 6.0
98 1 3 -9 39.239 78.479 1.21771 116.4 1.8 1.7 6.0
99 3 1 9 39.397 78.794 1.21364 407.8 6.4 6.0 6.0
100 5 1 7 40.331 80.662 1.19017 91.8 1.4 1.3 6.1
101 7 1 -9 40.898 81.796 1.17652 147.3 2.3 2.1 6.1
102 2 0 -12 41.084 82.168 1.17212 121.5 1.9 1.8 6.1
103 1 5 -2 41.641 83.282 1.15926 170.8 2.7 2.5 6.1
104 1 1 11 41.712 83.424 1.15765 197.7 3.1 2.9 6.1
105 7 3 -1 41.865 83.73 1.15418 148.4 2.3 2.1 6.1
106 8 0 -8 41.991 83.982 1.15136 207.0 3.2 3.0 6.1
107 5 3 5 42.301 84.603 1.14449 105.5 1.7 1.5 6.1
108 4 4 4 42.988 85.976 1.1297 583.4 9.2 8.4 6.1
109 0 0 12 43.084 86.168 1.12768 229.2 3.6 3.3 6.1
110 6 2 -10 43.155 86.311 1.12617 393.9 6.2 5.7 6.1
111 1 5 3 43.288 86.576 1.1234 199.9 3.1 2.9 6.1
112 7 3 1 43.866 87.731 1.11157 282.2 4.4 4.0 6.2
113 0 4 8 43.901 87.803 1.11085 326.4 5.1 4.7 6.2
114 9 1 -3 44.114 88.227 1.10659 127.6 2.0 1.8 6.2
115 6 4 -4 44.442 88.883 1.10011 138.4 2.2 2.0 6.2
116 9 1 -5 44.52 89.04 1.09859 151.1 2.4 2.2 6.2
117 3 5 1 44.664 89.328 1.09579 87.8 1.4 1.3 6.2
118 7 3 -7 44.799 89.599 1.09317 178.5 2.8 2.5 6.2
119 6 4 0 44.89 89.78 1.09143 90.5 1.4 1.3 6.2
120 6 2 6 44.951 89.902 1.09028 360.5 5.7 5.1 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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