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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DUNDASITE
1
PbAl(2)[CO(3)](2)(OH)(4).H(2)O
Orthorhombic P bnm Z = 4
R =0.066 NR =505
30 .9 .1992
Ref.Str.:
Cocco G., Fanfani L., Nunzi A., Zanazzi P.F. (1972)
* Mineral. Mag., 38, 564-569
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.08 alpha = 90.0
b = 16.37 beta = 90.0
c = 5.62 gamma = 90.0
Unit cell volume (cub. angs.) = 835.35
Molar volume ( cub.cm/mol.) = 125.79
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5131 0.4117 0.75 2.4 Pb = 1.00
2 0.3338 0.1998 0.998 2.3 Al = 1.00
3 0.4172 0.3506 0.25 2.5 C = 1.00
4 0.7599 0.4502 0.25 2.8 C = 1.00
5 0.4027 0.3097 0.0521 2.7 O = 1.00
6 0.4599 0.4224 0.25 2.1 O = 1.00
7 0.7737 0.4112 0.0506 2.5 O = 1.00
8 0.7399 0.5242 0.25 2.8 O = 1.00
9 0.1969 0.2076 0.25 1.9 OH = 1.00
10 0.4705 0.1856 0.75 1.9 OH = 1.00
11 0.4619 0.1668 0.25 2.4 OH = 1.00
12 0.2182 0.2375 0.75 2.4 OH = 1.00
13 0.1085 0.4576 0.25 3.9 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5131 0.4117 0.75
2 2 0.3338 0.1998 0.998
3 3 0.4172 0.3506 0.25
4 4 0.7599 0.4502 0.25
5 5 0.4027 0.3097 0.0521
6 6 0.4599 0.4224 0.25
7 7 0.7737 0.4112 0.0506
8 8 0.7399 0.5242 0.25
9 9 0.1969 0.2076 0.25
10 10 0.4705 0.1856 0.75
11 11 0.4619 0.1668 0.25
12 12 0.2182 0.2375 0.75
13 13 0.1085 0.4576 0.25
14 1 0.4869 0.5883 0.25
15 2 0.6662 0.8002 0.002
16 3 0.5828 0.6494 0.75
17 4 0.2401 0.5498 0.75
18 5 0.5973 0.6903 0.9479
19 6 0.5401 0.5776 0.75
20 7 0.2263 0.5888 0.9494
21 8 0.2601 0.4758 0.75
22 9 0.8031 0.7924 0.75
23 10 0.5295 0.8144 0.25
24 11 0.5381 0.8332 0.75
25 12 0.7818 0.7625 0.25
26 13 0.8915 0.5424 0.75
27 2 0.6662 0.8002 0.498
28 5 0.5973 0.6903 0.5521
29 7 0.2263 0.5888 0.5506
30 2 0.3338 0.1998 0.502
31 5 0.4027 0.3097 0.4479
32 7 0.7737 0.4112 0.4494
33 1 0.9869 0.9117 0.75
34 2 0.1662 0.6998 0.998
35 3 0.0828 0.8506 0.25
36 4 0.7401 0.9502 0.25
37 5 0.0973 0.8097 0.0521
38 6 0.0401 0.9224 0.25
39 7 0.7263 0.9112 0.0506
40 8 0.7601 0.0242 0.25
41 9 0.3031 0.7076 0.25
42 10 0.0295 0.6856 0.75
43 11 0.0381 0.6668 0.25
44 12 0.2818 0.7375 0.75
45 13 0.3915 0.9576 0.25
46 1 0.0131 0.0883 0.25
47 2 0.8338 0.3002 0.002
48 3 0.9172 0.1494 0.75
49 4 0.2599 0.0498 0.75
50 5 0.9027 0.1903 0.9479
51 6 0.9599 0.0776 0.75
52 7 0.2737 0.0888 0.9494
53 8 0.2399 0.9758 0.75
54 9 0.6969 0.2924 0.75
55 10 0.9705 0.3144 0.25
56 11 0.9619 0.3332 0.75
57 12 0.7182 0.2625 0.25
58 13 0.6085 0.0424 0.75
59 2 0.8338 0.3002 0.498
60 5 0.9027 0.1903 0.5521
61 7 0.2737 0.0888 0.5506
62 2 0.1662 0.6998 0.502
63 5 0.0973 0.8097 0.4479
64 7 0.7263 0.9112 0.4494
X-ray density (g/cm cub.) = 3.71
MU (1/cm) = 420.463 Mass attenuation coefficient (cm**2/g) = 113.216
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.312 9
2.5837 5
2.8566 6
2.8566 6
2.9074 7
2.7268 6
2.5255 8
2.5837 5
2.9074 7
2.5689 9
2 Al 2.484 6
1.9288 5
1.8887 9
1.8808 10
1.9106 11
1.8507 12
1.9168 7
3 C 2.04 3
1.3048 5
1.2377 6
1.3048 5
4 C 2.04 3
1.2958 7
1.2249 8
1.2958 7
5 O 3.432 9
2.2159 6
2.7427 9
2.7182 10
2.6454 11
2.6619 12
2.2244 5
3.3956 5
3.1779 9
3.1687 12
6 O 3.432 6
2.2159 5
3.0672 7
3.0399 8
3.2423 13
2.2159 5
3.0672 7
7 O 3.432 10
3.0672 6
2.1844 8
3.3278 13
2.9344 13
2.2413 7
3.3787 7
2.6688 9
2.6382 10
2.7211 11
2.7268 12
8 O 3.432 5
3.0399 6
2.1844 7
3.1432 13
3.1432 13
2.1844 7
9 OH 3.48 10
2.7427 5
2.4972 11
2.8589 12
2.8589 12
2.7427 5
3.1779 5
2.6688 7
2.6986 10
3.1779 5
2.6688 7
10 OH 3.48 9
2.7182 5
2.8279 11
2.8279 11
2.4434 12
2.7182 5
2.6382 7
2.6986 9
2.6581 13
2.6382 7
11 OH 3.48 8
2.6454 5
2.4972 9
2.8279 10
2.8279 10
2.6454 5
2.7211 7
2.8054 12
2.7211 7
12 OH 3.48 10
2.6619 5
2.8589 9
2.8589 9
2.4434 10
2.6619 5
3.1687 5
2.7268 7
2.8054 11
3.1687 5
2.7268 7
13 H(2)O 3.6 10
3.2423 6
3.3278 7
3.52 8
2.9344 7
3.1432 8
3.1432 8
2.9344 7
3.3278 7
3.4838 11
2.6581 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 2 0 5.4 10.8 0.061 222.85 2 26.3 44.3
2 1 1 0 5.567 11.134 0.063 209.55 4 240.1 6923.4
3 1 2 0 7.279 14.558 0.082 121.63 4 105.6 777.0
4 1 0 1 9.276 18.552 0.105 74.05 4 2.6 0.3
5 1 3 0 9.479 18.959 0.107 70.81 4 12.7 6.6
6 0 2 1 9.57 19.141 0.108 69.43 4 178.3 1265.8
7 1 1 1 9.667 19.334 0.109 68.01 8 120.9 1139.2
8 2 0 0 9.768 19.537 0.11 66.56 2 195.7 730.2
9 2 1 0 10.141 20.282 0.114 61.6 4 110.2 429.1
10 1 2 1 10.757 21.515 0.121 54.5 8 24.6 37.8
11 0 4 0 10.849 21.698 0.122 53.55 2 130.1 259.8
12 2 2 0 11.187 22.375 0.126 50.24 4 106.3 325.1
13 1 4 0 11.915 23.829 0.134 44.04 4 32.3 26.3
14 1 3 1 12.372 24.745 0.139 40.69 8 248.3 2877.3
15 2 3 0 12.751 25.502 0.143 38.19 4 69.1 104.5
16 2 1 1 12.893 25.786 0.145 37.31 8 42.8 78.4
17 0 4 1 13.464 26.928 0.151 34.05 4 165.5 534.7
18 2 2 1 13.742 27.484 0.154 32.6 8 208.3 1621.6
19 1 4 1 14.348 28.695 0.161 29.74 8 42.8 62.4
20 1 5 0 14.483 28.967 0.162 29.15 4 275.9 1272.3
21 2 4 0 14.679 29.358 0.164 28.33 4 210.4 718.5
22 3 1 0 15.0 29.999 0.168 27.05 4 243.7 920.6
23 2 3 1 15.059 30.117 0.169 26.82 8 50.9 79.6
24 3 2 0 15.744 31.488 0.176 24.37 4 37.1 19.3
25 0 0 2 15.91 31.819 0.178 23.83 2 288.3 567.7
26 0 6 0 16.399 32.798 0.183 22.32 2 214.7 294.9
27 1 5 1 16.57 33.141 0.185 21.82 8 113.3 321.2
28 2 4 1 16.744 33.488 0.187 21.33 8 200.8 986.2
29 3 0 1 16.802 33.603 0.188 21.17 4 174.4 369.0
30 0 2 2 16.848 33.695 0.188 21.05 4 164.8 327.6
31 2 5 0 16.862 33.724 0.188 21.01 4 66.2 52.8
32 1 1 2 16.905 33.809 0.189 20.89 8 203.6 992.8
33 3 3 0 16.919 33.839 0.189 20.86 4 15.2 2.8
34 3 1 1 17.029 34.059 0.19 20.56 8 108.3 276.4
35 1 6 0 17.145 34.291 0.191 20.26 4 45.3 23.8
36 1 2 2 17.577 35.154 0.196 19.19 8 29.6 19.3
37 3 2 1 17.698 35.395 0.197 18.91 8 64.0 88.9
38 0 6 1 18.291 36.581 0.204 17.59 4 65.6 43.4
39 3 4 0 18.454 36.907 0.205 17.25 4 26.0 6.7
40 1 3 2 18.65 37.3 0.208 16.85 8 11.3 2.5
41 2 5 1 18.712 37.425 0.208 16.73 8 29.1 16.2
42 3 3 1 18.765 37.53 0.209 16.62 8 187.2 668.1
43 2 0 2 18.807 37.614 0.209 16.54 4 278.7 736.5
44 1 6 1 18.972 37.943 0.211 16.23 8 8.7 1.4
45 2 1 2 19.014 38.028 0.211 16.15 8 102.5 194.5
46 2 6 0 19.231 38.463 0.214 15.75 4 160.0 231.1
47 0 4 2 19.422 38.843 0.216 15.41 4 111.8 110.4
48 2 2 2 19.623 39.247 0.218 15.06 8 86.7 129.7
49 4 0 0 19.836 39.672 0.22 14.7 2 242.7 248.2
50 1 7 0 19.885 39.77 0.221 14.62 4 164.3 226.1
51 4 1 0 20.034 40.068 0.222 14.38 4 10.7 0.9
52 1 4 2 20.07 40.14 0.223 14.32 8 11.9 2.3
53 3 4 1 20.178 40.356 0.224 14.15 8 23.0 8.6
54 3 5 0 20.279 40.557 0.225 14.0 4 213.4 365.4
55 2 3 2 20.605 41.211 0.228 13.51 8 14.3 3.2
56 4 2 0 20.618 41.236 0.229 13.49 4 140.4 152.4
57 2 6 1 20.902 41.803 0.232 13.08 8 70.4 74.3
58 1 7 1 21.513 43.025 0.238 12.27 8 131.6 243.4
59 4 3 0 21.563 43.126 0.239 12.2 4 86.6 52.4
60 4 1 1 21.653 43.305 0.24 12.09 8 64.6 57.8
61 2 7 0 21.747 43.494 0.241 11.97 4 80.6 44.6
62 1 5 2 21.782 43.563 0.241 11.93 8 225.8 697.1
63 3 5 1 21.882 43.765 0.242 11.8 8 62.6 53.1
64 2 4 2 21.919 43.839 0.242 11.76 8 190.5 489.0
65 0 8 0 22.113 44.226 0.244 11.53 2 190.6 120.0
66 3 1 2 22.148 44.295 0.245 11.49 8 148.1 288.9
67 4 2 1 22.202 44.404 0.245 11.43 8 180.1 424.9
68 3 6 0 22.34 44.68 0.247 11.27 4 44.3 12.7
69 3 2 2 22.687 45.375 0.25 10.88 8 66.3 54.8
70 1 8 0 22.698 45.396 0.25 10.87 4 114.8 82.1
71 4 4 0 22.832 45.665 0.252 10.73 4 129.4 102.9
72 4 3 1 23.094 46.189 0.255 10.45 8 8.1 0.8
73 0 6 2 23.173 46.346 0.255 10.37 4 199.0 235.3
74 2 7 1 23.269 46.538 0.256 10.28 8 41.5 20.3
75 2 5 2 23.522 47.044 0.259 10.03 8 39.0 17.5
76 3 3 2 23.566 47.131 0.26 9.98 8 66.0 49.8
77 0 8 1 23.616 47.233 0.26 9.94 4 178.5 181.4
78 1 6 2 23.738 47.475 0.261 9.82 8 20.5 4.7
79 3 6 1 23.832 47.664 0.262 9.73 8 56.5 35.6
80 1 8 1 24.173 48.346 0.266 9.42 8 30.4 10.0
81 4 4 1 24.301 48.602 0.267 9.31 8 141.7 214.5
82 2 8 0 24.387 48.775 0.268 9.24 4 67.6 24.2
83 4 5 0 24.388 48.776 0.268 9.24 4 46.2 11.3
84 3 7 0 24.598 49.196 0.27 9.06 4 192.9 193.3
85 3 4 2 24.755 49.509 0.272 8.93 8 12.7 1.6
86 1 0 3 24.825 49.649 0.273 8.87 4 22.3 2.5
87 0 2 3 24.949 49.898 0.274 8.77 4 194.5 190.1
88 1 1 3 24.991 49.981 0.274 8.74 8 112.1 125.9
89 5 1 0 25.262 50.525 0.277 8.53 4 128.6 80.9
90 2 6 2 25.374 50.748 0.278 8.44 8 186.8 337.5
91 1 2 3 25.484 50.968 0.279 8.36 8 15.3 2.2
92 1 9 0 25.588 51.177 0.28 8.28 4 64.2 19.6
93 5 2 0 25.752 51.504 0.282 8.16 4 65.3 20.0
94 2 8 1 25.789 51.578 0.282 8.13 8 184.5 317.5
95 4 5 1 25.79 51.579 0.282 8.13 8 63.9 38.0
96 4 0 2 25.863 51.726 0.283 8.08 4 254.7 300.4
97 1 7 2 25.903 51.805 0.284 8.05 8 168.3 261.5
98 3 7 1 25.991 51.982 0.284 7.99 8 135.3 167.8
99 4 1 2 26.024 52.048 0.285 7.97 8 58.8 31.6
100 4 6 0 26.195 52.389 0.287 7.85 4 219.3 216.4
101 3 5 2 26.224 52.449 0.287 7.83 8 252.6 572.5
102 1 3 3 26.291 52.583 0.288 7.78 8 163.4 238.4
103 5 0 1 26.472 52.944 0.289 7.66 4 57.0 14.3
104 4 2 2 26.504 53.007 0.29 7.64 8 27.7 6.7
105 5 3 0 26.554 53.107 0.29 7.61 4 49.7 10.8
106 2 1 3 26.57 53.14 0.29 7.6 8 11.2 1.1
107 5 1 1 26.63 53.261 0.291 7.56 8 110.3 105.4
108 0 4 3 26.886 53.771 0.294 7.4 4 117.5 58.6
109 1 9 1 26.945 53.889 0.294 7.36 8 176.9 264.0
110 3 8 0 27.026 54.052 0.295 7.31 4 2.1 0.0
111 2 2 3 27.043 54.086 0.295 7.3 8 132.6 147.1
112 5 2 1 27.102 54.205 0.296 7.26 8 24.7 5.1
113 2 9 0 27.143 54.286 0.296 7.24 4 55.2 12.7
114 4 3 2 27.29 54.58 0.298 7.15 8 83.2 56.8
115 1 4 3 27.394 54.787 0.299 7.09 8 44.3 15.9
116 2 7 2 27.445 54.889 0.299 7.06 8 15.9 2.0
117 4 6 1 27.53 55.06 0.3 7.01 8 24.0 4.6
118 5 4 0 27.649 55.297 0.301 6.94 4 89.7 32.0
119 0 8 2 27.753 55.507 0.302 6.88 4 13.6 0.7
120 2 3 3 27.819 55.637 0.303 6.85 8 0.7 0.0
121 5 3 1 27.877 55.754 0.304 6.81 8 159.9 199.8
122 3 6 2 27.946 55.892 0.304 6.78 8 9.6 0.7
123 0 10 0 28.07 56.139 0.305 6.71 2 208.7 83.7
124 4 7 0 28.223 56.446 0.307 6.63 4 41.1 6.4
125 1 8 2 28.251 56.501 0.307 6.61 8 0.2 0.0
126 3 8 1 28.334 56.668 0.308 6.57 8 17.0 2.2
127 4 4 2 28.365 56.731 0.308 6.55 8 69.6 36.4
128 2 9 1 28.448 56.895 0.309 6.51 8 14.3 1.5
129 1 10 0 28.563 57.127 0.31 6.45 4 20.6 1.6
130 1 5 3 28.768 57.537 0.312 6.34 8 68.8 34.4
131 2 4 3 28.881 57.762 0.314 6.29 8 115.8 96.7
132 3 0 3 28.919 57.838 0.314 6.27 4 55.0 10.9
133 5 4 1 28.938 57.876 0.314 6.26 8 72.0 37.2
134 5 5 0 29.015 58.031 0.315 6.22 4 173.1 106.9
135 3 1 3 29.068 58.137 0.315 6.2 8 83.5 49.5
136 0 10 1 29.347 58.694 0.318 6.07 4 92.1 29.5
137 4 7 1 29.496 58.992 0.32 6.0 8 41.0 11.6
138 3 2 3 29.514 59.029 0.32 5.99 8 48.9 16.4
139 3 9 0 29.609 59.218 0.321 5.95 4 60.5 12.5
140 2 8 2 29.71 59.42 0.322 5.9 8 91.4 56.5
141 4 5 2 29.711 59.421 0.322 5.9 8 21.8 3.2
142 1 10 1 29.827 59.655 0.323 5.85 8 21.6 3.1
143 3 7 2 29.894 59.788 0.324 5.82 8 79.1 41.8
144 0 6 3 29.919 59.838 0.324 5.81 4 26.3 2.3
145 2 10 0 30.013 60.026 0.325 5.77 4 94.1 29.3
146 2 5 3 30.212 60.424 0.327 5.68 8 40.4 10.6
147 3 3 3 30.249 60.497 0.327 5.67 8 156.8 159.8
148 5 5 1 30.267 60.535 0.327 5.66 8 36.5 8.6
149 1 6 3 30.394 60.787 0.328 5.61 8 31.8 6.5
150 4 8 0 30.451 60.902 0.329 5.58 4 20.8 1.4
151 5 1 2 30.479 60.957 0.329 5.57 8 165.7 175.3
152 6 0 0 30.597 61.194 0.33 5.53 2 142.3 32.0
153 5 6 0 30.633 61.265 0.331 5.51 4 49.1 7.6
154 6 1 0 30.742 61.483 0.332 5.47 4 36.1 4.1
155 1 9 2 30.767 61.534 0.332 5.46 8 77.9 37.9
156 3 9 1 30.846 61.692 0.333 5.43 8 148.3 136.8
157 5 2 2 30.912 61.825 0.333 5.4 8 79.3 38.9
158 6 2 0 31.173 62.346 0.336 5.3 4 12.9 0.5
159 2 10 1 31.241 62.482 0.337 5.28 8 111.0 74.6
160 3 4 3 31.259 62.518 0.337 5.27 8 7.1 0.3
161 4 6 2 31.306 62.612 0.337 5.25 8 121.3 88.5
162 5 3 2 31.627 63.254 0.34 5.14 8 35.0 7.2
163 1 11 0 31.635 63.27 0.34 5.13 4 155.8 71.5
164 4 8 1 31.669 63.338 0.341 5.12 8 117.4 81.0
165 2 6 3 31.792 63.585 0.342 5.08 8 38.3 8.6
166 5 6 1 31.846 63.693 0.343 5.06 8 62.2 22.4
167 6 3 0 31.884 63.769 0.343 5.05 4 21.3 1.3
168 6 1 1 31.953 63.906 0.344 5.02 8 84.9 41.5
169 3 8 2 32.051 64.102 0.344 4.99 8 39.9 9.1
170 2 9 2 32.156 64.313 0.345 4.95 8 77.0 33.7
171 1 7 3 32.251 64.502 0.346 4.92 8 81.6 37.6
172 3 10 0 32.341 64.682 0.347 4.89 4 9.0 0.2
173 4 1 3 32.357 64.714 0.347 4.89 8 54.3 16.5
174 6 2 1 32.375 64.75 0.348 4.88 8 143.3 114.9
175 5 7 0 32.482 64.964 0.349 4.85 4 93.5 24.3
176 3 5 3 32.532 65.063 0.349 4.83 8 54.0 16.2
177 5 4 2 32.613 65.226 0.35 4.8 8 22.0 2.7
178 4 2 3 32.776 65.553 0.351 4.75 8 138.8 104.9
179 1 11 1 32.828 65.656 0.352 4.74 8 0.0 0.0
180 4 9 0 32.865 65.731 0.352 4.73 4 66.4 11.9
181 6 4 0 32.866 65.733 0.352 4.73 4 72.8 14.4
182 0 10 2 32.995 65.99 0.353 4.69 4 32.7 2.9
183 2 11 0 33.004 66.008 0.354 4.68 4 34.8 3.3
184 6 3 1 33.073 66.145 0.354 4.66 8 4.6 0.1
185 4 7 2 33.135 66.269 0.355 4.64 8 45.7 11.1
186 0 0 4 33.246 66.493 0.356 4.61 2 295.9 115.7
187 1 10 2 33.445 66.89 0.358 4.55 8 4.3 0.1
188 4 3 3 33.469 66.939 0.358 4.55 8 4.7 0.1
189 3 10 1 33.521 67.041 0.358 4.53 8 2.4 0.0
190 2 7 3 33.607 67.213 0.359 4.51 8 12.8 0.9
191 5 7 1 33.659 67.318 0.36 4.49 8 81.1 33.9
192 0 2 4 33.798 67.595 0.361 4.45 4 25.5 1.7
193 1 1 4 33.832 67.664 0.361 4.44 8 122.6 76.6
194 5 5 2 33.859 67.717 0.362 4.44 8 98.2 49.1
195 0 8 3 33.881 67.762 0.362 4.43 4 162.5 67.1
196 4 9 1 34.036 68.071 0.363 4.39 8 12.4 0.8
197 6 4 1 34.037 68.073 0.363 4.39 8 104.5 54.9
198 3 6 3 34.053 68.105 0.363 4.38 8 35.8 6.4
199 6 5 0 34.107 68.214 0.364 4.37 4 23.8 1.4
200 2 11 1 34.172 68.344 0.365 4.35 8 41.1 8.4
201 1 2 4 34.242 68.484 0.365 4.33 8 39.5 7.7
202 1 8 3 34.325 68.65 0.366 4.31 8 13.8 0.9
203 0 12 0 34.378 68.756 0.367 4.3 2 122.6 18.5
204 3 9 2 34.404 68.808 0.367 4.29 8 20.6 2.1
205 4 4 3 34.428 68.856 0.367 4.29 8 139.3 95.4
206 5 8 0 34.549 69.098 0.368 4.26 4 42.9 4.5
207 2 10 2 34.777 69.554 0.37 4.2 8 140.8 95.4
208 1 12 0 34.819 69.638 0.371 4.19 4 10.7 0.3
209 1 3 4 34.921 69.842 0.372 4.16 8 8.1 0.3
210 2 0 4 35.022 70.045 0.373 4.14 4 122.1 35.4
211 2 1 4 35.157 70.314 0.374 4.11 8 29.1 4.0
212 4 8 2 35.183 70.366 0.374 4.1 8 71.8 24.2
213 3 11 0 35.224 70.449 0.374 4.09 4 152.7 54.7
214 6 5 1 35.257 70.514 0.375 4.08 8 71.8 24.1
215 6 0 2 35.318 70.636 0.375 4.07 4 93.0 20.2
216 5 6 2 35.351 70.703 0.376 4.06 8 33.8 5.3
217 0 4 4 35.426 70.852 0.376 4.05 4 66.3 10.2
218 6 1 2 35.453 70.905 0.377 4.04 8 29.3 4.0
219 4 10 0 35.46 70.92 0.377 4.04 4 86.4 17.3
220 0 12 1 35.524 71.049 0.377 4.02 4 65.4 9.9
221 2 2 4 35.56 71.121 0.377 4.02 8 74.7 25.7
222 6 6 0 35.595 71.19 0.378 4.01 4 112.7 29.2
223 2 8 3 35.642 71.284 0.378 4.0 8 120.6 66.7
224 4 5 3 35.642 71.285 0.378 4.0 8 69.6 22.2
225 5 8 1 35.693 71.386 0.379 3.99 8 18.9 1.6
226 3 7 3 35.809 71.619 0.38 3.96 8 110.6 55.5
227 6 2 2 35.854 71.709 0.38 3.95 8 68.2 21.0
228 1 4 4 35.861 71.723 0.38 3.95 8 36.7 6.1
229 1 12 1 35.959 71.918 0.381 3.93 8 2.0 0.0
230 2 12 0 36.128 72.256 0.383 3.89 4 157.1 55.1
231 5 0 3 36.21 72.42 0.383 3.88 4 57.2 7.3
232 2 3 4 36.228 72.456 0.384 3.87 8 36.1 5.8
233 1 11 2 36.286 72.572 0.384 3.86 8 132.7 77.9
234 5 1 3 36.343 72.686 0.385 3.85 8 55.9 13.8
235 3 11 1 36.359 72.718 0.385 3.84 8 24.1 2.6
236 6 3 2 36.52 73.04 0.386 3.81 8 54.1 12.8
237 7 1 0 36.562 73.124 0.387 3.8 4 95.9 20.0
238 4 10 1 36.591 73.183 0.387 3.8 8 76.0 25.2
239 1 9 3 36.608 73.215 0.387 3.8 8 147.6 94.8
240 6 6 1 36.725 73.45 0.388 3.77 8 18.9 1.5
241 5 2 3 36.741 73.482 0.388 3.77 8 29.2 3.7
242 5 9 0 36.826 73.651 0.389 3.75 4 46.3 4.6
243 3 10 2 36.949 73.898 0.39 3.73 8 43.7 8.2
244 7 2 0 36.959 73.917 0.39 3.73 4 106.6 24.3
245 1 5 4 37.056 74.112 0.391 3.71 8 163.1 113.1
246 5 7 2 37.081 74.163 0.391 3.7 8 143.1 86.9
247 4 6 3 37.104 74.208 0.392 3.7 8 36.0 5.5
248 2 4 4 37.155 74.31 0.392 3.69 8 114.4 55.4
249 2 12 1 37.251 74.503 0.393 3.67 8 30.8 4.0
250 3 1 4 37.32 74.639 0.394 3.66 8 128.0 68.7
251 6 7 0 37.321 74.641 0.394 3.66 4 54.7 6.3
252 5 3 3 37.4 74.801 0.394 3.65 8 118.9 59.1
253 4 9 2 37.443 74.886 0.395 3.64 8 3.3 0.0
254 6 4 2 37.444 74.888 0.395 3.64 8 97.4 39.6
255 7 0 1 37.549 75.098 0.396 3.62 4 91.6 17.4
256 2 11 2 37.574 75.148 0.396 3.62 8 47.8 9.5
257 7 3 0 37.617 75.233 0.396 3.61 4 20.6 0.9
258 7 1 1 37.68 75.36 0.397 3.6 8 69.3 19.8
259 3 2 4 37.714 75.427 0.397 3.59 8 14.6 0.9
260 3 8 3 37.793 75.587 0.398 3.58 8 9.8 0.4
261 2 9 3 37.891 75.783 0.399 3.56 8 11.6 0.5
262 5 9 1 37.941 75.882 0.399 3.55 8 140.9 80.9
263 7 2 1 38.073 76.146 0.4 3.53 8 43.3 7.6
264 0 6 4 38.073 76.146 0.4 3.53 4 117.2 27.8
265 1 13 0 38.138 76.276 0.401 3.52 4 104.4 22.0
266 4 11 0 38.237 76.474 0.402 3.51 4 27.6 1.5
267 3 12 0 38.269 76.538 0.402 3.5 4 19.6 0.8
268 5 4 3 38.317 76.633 0.402 3.49 8 60.9 14.8
269 2 5 4 38.334 76.669 0.403 3.49 8 24.4 2.4
270 3 3 4 38.367 76.734 0.403 3.48 8 20.9 1.7
271 6 7 1 38.431 76.862 0.403 3.47 8 71.1 20.1
272 1 6 4 38.497 76.994 0.404 3.46 8 35.2 4.9
273 7 4 0 38.531 77.063 0.404 3.46 4 17.5 0.6
274 6 5 2 38.62 77.241 0.405 3.45 8 33.3 4.4
275 0 10 3 38.674 77.348 0.406 3.44 4 94.7 17.7
276 7 3 1 38.724 77.449 0.406 3.43 8 102.5 41.3
277 4 7 3 38.804 77.609 0.407 3.42 8 34.2 4.6
278 0 12 2 38.879 77.757 0.407 3.41 4 147.3 42.3
279 5 8 2 39.042 78.084 0.409 3.38 8 55.4 11.9
280 1 10 3 39.096 78.191 0.409 3.38 8 22.7 2.0
281 1 13 1 39.241 78.483 0.411 3.36 8 99.1 37.8
282 3 4 4 39.276 78.552 0.411 3.35 8 15.4 0.9
283 6 8 0 39.277 78.554 0.411 3.35 4 54.0 5.6
284 1 12 2 39.3 78.6 0.411 3.35 8 24.2 2.3
285 5 10 0 39.309 78.618 0.411 3.35 4 49.2 4.7
286 4 11 1 39.339 78.678 0.411 3.34 8 46.2 8.2
287 3 12 1 39.371 78.742 0.412 3.34 8 41.3 6.5
288 2 13 0 39.405 78.81 0.412 3.33 4 20.6 0.8
289 5 5 3 39.485 78.97 0.413 3.32 8 31.5 3.8
290 7 4 1 39.631 79.262 0.414 3.3 8 41.4 6.5
291 3 11 2 39.688 79.376 0.415 3.29 8 104.8 41.5
292 7 5 0 39.698 79.395 0.415 3.29 4 150.8 42.9
293 2 6 4 39.761 79.521 0.415 3.29 8 115.6 50.4
294 4 10 2 39.914 79.828 0.416 3.27 8 112.4 47.3
295 3 9 3 40.0 80.001 0.417 3.25 8 119.2 53.0
296 6 6 2 40.044 80.087 0.418 3.25 8 124.8 58.0
297 4 0 4 40.148 80.295 0.419 3.24 4 129.7 31.2
298 1 7 4 40.179 80.358 0.419 3.23 8 87.0 28.1
299 4 1 4 40.276 80.553 0.42 3.22 8 21.3 1.7
300 2 10 3 40.354 80.708 0.42 3.21 8 77.9 22.3
301 6 8 1 40.371 80.743 0.42 3.21 8 111.2 45.5
302 5 10 1 40.403 80.806 0.421 3.21 8 34.8 4.4
303 3 5 4 40.437 80.873 0.421 3.2 8 104.4 40.0
304 2 13 1 40.499 80.997 0.422 3.19 8 13.4 0.7
305 2 12 2 40.557 81.113 0.422 3.19 8 135.1 66.7
306 4 2 4 40.662 81.323 0.423 3.18 8 67.1 16.4
307 4 8 3 40.74 81.48 0.424 3.17 8 105.3 40.3
308 7 5 1 40.789 81.578 0.424 3.16 8 33.0 3.9
309 5 6 3 40.9 81.801 0.425 3.15 8 61.4 13.6
310 7 1 2 40.975 81.951 0.426 3.14 8 80.5 23.3
311 6 1 3 40.997 81.994 0.426 3.14 8 55.9 11.2
312 7 6 0 41.111 82.223 0.427 3.13 4 40.9 3.0
313 0 14 0 41.205 82.411 0.428 3.12 2 8.6 0.1
314 4 12 0 41.206 82.412 0.428 3.12 4 146.5 38.3
315 5 9 2 41.231 82.461 0.428 3.11 8 50.3 9.0
316 4 3 4 41.302 82.605 0.428 3.11 8 33.6 4.0
317 7 2 2 41.359 82.719 0.429 3.1 8 54.0 10.4
318 6 2 3 41.381 82.762 0.429 3.1 8 92.1 30.1
319 2 7 4 41.43 82.859 0.43 3.09 8 36.6 4.8
320 6 9 0 41.463 82.925 0.43 3.09 4 45.8 3.7
321 3 13 0 41.494 82.987 0.43 3.09 4 55.2 5.4
322 1 14 0 41.621 83.242 0.431 3.07 4 5.3 0.0
323 0 8 4 41.685 83.37 0.432 3.07 4 83.9 12.4
324 6 7 2 41.71 83.421 0.432 3.07 8 72.8 18.6
325 1 11 3 41.795 83.59 0.433 3.06 8 4.4 0.1
326 3 6 4 41.845 83.69 0.433 3.05 8 13.4 0.6
327 7 3 2 41.998 83.996 0.434 3.04 8 18.1 1.1
328 5 11 0 42.005 84.01 0.434 3.04 4 72.0 9.0
329 6 3 3 42.019 84.039 0.435 3.04 8 10.1 0.4
330 1 8 4 42.1 84.2 0.435 3.03 8 46.3 7.5
331 7 6 1 42.195 84.39 0.436 3.02 8 75.5 19.8
332 4 4 4 42.196 84.392 0.436 3.02 8 69.1 16.5
333 0 14 1 42.289 84.578 0.437 3.01 4 126.5 27.6
334 4 12 1 42.289 84.579 0.437 3.01 8 50.0 8.6
335 3 10 3 42.433 84.865 0.438 3.0 8 18.8 1.2
336 1 13 2 42.506 85.012 0.439 2.99 8 85.3 25.0
337 6 9 1 42.545 85.09 0.439 2.99 8 13.9 0.7
338 5 7 3 42.561 85.121 0.439 2.99 8 69.9 16.7
339 3 13 1 42.576 85.152 0.439 2.99 8 99.1 33.6
340 4 11 2 42.602 85.204 0.439 2.99 8 20.5 1.4
341 3 12 2 42.634 85.267 0.44 2.98 8 47.9 7.9
342 1 14 1 42.703 85.405 0.44 2.98 8 14.2 0.7
343 8 0 0 42.739 85.478 0.441 2.97 2 84.4 6.1
344 7 7 0 42.77 85.541 0.441 2.97 4 60.6 6.2
345 2 14 0 42.864 85.728 0.442 2.96 4 2.8 0.0
346 8 1 0 42.866 85.733 0.442 2.96 4 6.4 0.1
347 7 4 2 42.89 85.779 0.442 2.96 8 71.2 17.2
348 4 9 3 42.91 85.82 0.442 2.96 8 14.5 0.7
349 6 4 3 42.911 85.822 0.442 2.96 8 85.1 24.6
350 2 11 3 43.037 86.074 0.443 2.95 8 13.4 0.6
351 5 11 1 43.085 86.171 0.443 2.95 8 3.8 0.0
352 8 2 0 43.248 86.496 0.445 2.94 4 71.4 8.6
353 2 8 4 43.341 86.682 0.446 2.93 8 33.3 3.7
354 4 5 4 43.341 86.683 0.446 2.93 8 19.7 1.3
355 3 7 4 43.5 87.0 0.447 2.92 8 109.9 40.4
356 6 8 2 43.62 87.24 0.448 2.91 8 17.8 1.1
357 5 10 2 43.651 87.302 0.448 2.91 8 33.5 3.7
358 1 0 5 43.672 87.345 0.448 2.91 4 0.5 0.0
359 2 13 2 43.746 87.491 0.449 2.9 8 4.6 0.1
360 0 2 5 43.768 87.535 0.449 2.9 4 72.6 8.8
361 1 1 5 43.799 87.599 0.449 2.9 8 50.3 8.4
362 7 7 1 43.849 87.697 0.45 2.89 8 68.9 15.8
363 6 10 0 43.882 87.764 0.45 2.89 4 109.4 19.8
364 8 3 0 43.883 87.766 0.45 2.89 4 100.3 16.7
365 2 14 1 43.942 87.884 0.45 2.89 8 123.1 50.2
366 8 1 1 43.944 87.889 0.45 2.89 8 62.9 13.1
367 5 1 4 44.008 88.017 0.451 2.88 8 85.9 24.4
368 7 5 2 44.033 88.066 0.451 2.88 8 71.0 16.7
369 6 5 3 44.054 88.109 0.451 2.88 8 37.7 4.7
370 1 2 5 44.18 88.36 0.452 2.87 8 10.6 0.4
371 1 9 4 44.261 88.523 0.453 2.87 8 37.0 4.5
372 0 12 3 44.307 88.614 0.453 2.87 4 70.7 8.2
373 8 2 1 44.325 88.65 0.454 2.86 8 76.1 19.0
374 4 13 0 44.389 88.777 0.454 2.86 4 16.4 0.4
375 5 2 4 44.389 88.778 0.454 2.86 8 30.0 2.9
376 5 8 3 44.466 88.933 0.455 2.86 8 14.5 0.7
377 7 8 0 44.675 89.351 0.456 2.85 4 54.5 4.8
378 1 12 3 44.719 89.438 0.457 2.84 8 13.1 0.6
379 4 6 4 44.738 89.475 0.457 2.84 8 113.7 42.1
380 8 4 0 44.771 89.542 0.457 2.84 4 53.6 4.7
381 1 3 5 44.815 89.629 0.458 2.84 8 109.8 39.2
382 3 14 0 44.928 89.855 0.458 2.83 4 30.8 1.5
383 5 12 0 44.928 89.856 0.458 2.83 4 2.7 0.0
384 6 10 1 44.958 89.917 0.459 2.83 8 68.7 15.3
385 8 3 1 44.959 89.919 0.459 2.83 8 5.2 0.1
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 5.567 11.134 7.94032 6923.4 100.0 100.0 5.6
2 1 2 0 7.279 14.558 6.07953 777.0 11.2 11.2 5.6
3 0 2 1 9.57 19.141 4.63301 1265.8 18.3 18.2 5.6
4 1 1 1 9.667 19.334 4.58726 1139.2 16.5 16.4 5.6
5 2 0 0 9.768 19.537 4.54 730.2 10.5 10.5 5.6
6 2 1 0 10.141 20.282 4.37487 429.1 6.2 6.2 5.6
7 0 4 0 10.849 21.698 4.0925 259.8 3.8 3.7 5.6
8 2 2 0 11.187 22.375 3.97016 325.1 4.7 4.7 5.6
9 1 3 1 12.372 24.745 3.595 2877.3 41.6 41.2 5.6
10 2 3 0 12.751 25.502 3.49 104.5 1.5 1.5 5.6
11 2 1 1 12.893 25.786 3.45219 78.4 1.1 1.1 5.6
12 0 4 1 13.464 26.928 3.30829 534.7 7.7 7.6 5.6
13 2 2 1 13.742 27.484 3.24265 1621.6 23.4 23.2 5.6
14 1 5 0 14.483 28.967 3.0799 1272.3 18.4 18.2 5.6
15 2 4 0 14.679 29.358 3.03977 718.5 10.4 10.2 5.6
16 3 1 0 15.0 29.999 2.97622 920.6 13.3 13.1 5.6
17 2 3 1 15.059 30.117 2.96483 79.6 1.1 1.1 5.6
18 0 0 2 15.91 31.819 2.81 567.7 8.2 8.1 5.6
19 0 6 0 16.399 32.798 2.72833 294.9 4.3 4.2 5.6
20 1 5 1 16.57 33.141 2.70091 321.2 4.6 4.6 5.6
21 2 4 1 16.744 33.488 2.67372 986.2 14.2 14.0 5.7
22 3 0 1 16.802 33.603 2.66479 369.0 5.3 5.2 5.7
23 0 2 2 16.848 33.695 2.65774 380.4 5.5 5.4 5.7
24 1 1 2 16.905 33.809 2.64901 995.6 14.4 14.1 5.7
25 3 1 1 17.029 34.059 2.63017 276.4 4.0 3.9 5.7
26 3 2 1 17.698 35.395 2.53388 88.9 1.3 1.3 5.7
27 3 3 1 18.765 37.53 2.39451 668.1 9.6 9.5 5.7
28 2 0 2 18.807 37.614 2.38936 736.5 10.6 10.4 5.7
29 2 1 2 19.014 38.028 2.36431 194.5 2.8 2.8 5.7
30 2 6 0 19.231 38.463 2.33854 231.1 3.3 3.3 5.7
31 0 4 2 19.422 38.843 2.31651 110.4 1.6 1.6 5.7
32 2 2 2 19.623 39.247 2.29363 129.7 1.9 1.8 5.7
33 4 0 0 19.836 39.672 2.27 248.2 3.6 3.5 5.7
34 1 7 0 19.885 39.77 2.26467 226.1 3.3 3.2 5.7
35 3 5 0 20.279 40.557 2.22248 365.4 5.3 5.2 5.7
36 4 2 0 20.618 41.236 2.18743 155.6 2.2 2.2 5.7
37 2 6 1 20.902 41.803 2.15908 74.3 1.1 1.0 5.7
38 1 7 1 21.513 43.025 2.10053 243.4 3.5 3.4 5.7
39 1 5 2 21.782 43.563 2.07584 697.1 10.1 9.8 5.7
40 2 4 2 21.919 43.839 2.06342 489.0 7.1 6.9 5.7
41 0 8 0 22.113 44.226 2.04625 120.0 1.7 1.7 5.7
42 3 1 2 22.148 44.295 2.04321 288.9 4.2 4.1 5.7
43 4 2 1 22.202 44.404 2.03847 424.9 6.1 6.0 5.7
44 1 8 0 22.698 45.396 1.99619 136.8 2.0 1.9 5.7
45 4 4 0 22.832 45.665 1.98508 102.9 1.5 1.4 5.7
46 0 6 2 23.173 46.346 1.95746 235.3 3.4 3.3 5.7
47 0 8 1 23.616 47.233 1.92277 181.4 2.6 2.5 5.7
48 4 4 1 24.301 48.602 1.87175 214.5 3.1 3.0 5.7
49 3 7 0 24.598 49.196 1.85054 193.3 2.8 2.7 5.7
50 0 2 3 24.949 49.898 1.82611 190.1 2.7 2.7 5.7
51 1 1 3 24.991 49.981 1.82328 125.9 1.8 1.8 5.7
52 5 1 0 25.262 50.525 1.80493 80.9 1.2 1.1 5.8
53 2 6 2 25.374 50.748 1.7975 337.5 4.9 4.7 5.8
54 2 8 1 25.789 51.578 1.77052 355.5 5.1 5.0 5.8
55 4 0 2 25.863 51.726 1.76581 300.4 4.3 4.2 5.8
56 1 7 2 25.903 51.805 1.76329 261.5 3.8 3.6 5.8
57 3 7 1 25.991 51.982 1.7577 167.8 2.4 2.3 5.8
58 4 6 0 26.195 52.389 1.745 216.4 3.1 3.0 5.8
59 3 5 2 26.224 52.449 1.74316 572.5 8.3 8.0 5.8
60 1 3 3 26.291 52.583 1.73903 238.4 3.4 3.3 5.8
61 5 1 1 26.63 53.261 1.71848 105.4 1.5 1.5 5.8
62 1 9 1 26.945 53.889 1.69992 264.0 3.8 3.7 5.8
63 2 2 3 27.043 54.086 1.6942 147.1 2.1 2.0 5.8
64 5 3 1 27.877 55.754 1.64739 199.8 2.9 2.8 5.8
65 0 10 0 28.07 56.139 1.637 83.7 1.2 1.2 5.8
66 2 4 3 28.881 57.762 1.59481 96.7 1.4 1.3 5.8
67 5 5 0 29.015 58.031 1.58806 106.9 1.5 1.5 5.8
68 3 3 3 30.249 60.497 1.52908 168.4 2.4 2.3 5.8
69 5 1 2 30.479 60.957 1.51864 176.7 2.6 2.4 5.8
70 3 9 1 30.846 61.692 1.50229 136.8 2.0 1.9 5.8
71 2 10 1 31.241 62.482 1.4852 74.9 1.1 1.0 5.8
72 4 6 2 31.306 62.612 1.48242 88.5 1.3 1.2 5.8
73 1 11 0 31.635 63.27 1.46859 78.7 1.1 1.1 5.9
74 4 8 1 31.669 63.338 1.46718 81.0 1.2 1.1 5.9
75 6 2 1 32.375 64.75 1.43854 131.5 1.9 1.8 5.9
76 4 2 3 32.776 65.553 1.42286 104.9 1.5 1.4 5.9
77 0 0 4 33.246 66.493 1.405 115.7 1.7 1.6 5.9
78 1 1 4 33.832 67.664 1.38351 125.6 1.8 1.7 5.9
79 4 4 3 34.428 68.856 1.36244 95.4 1.4 1.3 5.9
80 2 10 2 34.777 69.554 1.35045 95.4 1.4 1.3 5.9
81 2 8 3 35.642 71.284 1.32188 88.9 1.3 1.2 5.9
82 1 11 2 36.286 72.572 1.30155 77.9 1.1 1.1 6.0
83 1 9 3 36.608 73.215 1.2917 140.0 2.0 1.9 6.0
84 1 5 4 37.056 74.112 1.27828 200.1 2.9 2.7 6.0
85 3 1 4 37.32 74.639 1.27054 75.0 1.1 1.0 6.0
86 5 9 1 37.941 75.882 1.25279 80.9 1.2 1.1 6.0
87 7 5 0 39.698 79.395 1.20594 84.4 1.2 1.1 6.0
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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