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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VARISCITE
1, f-variscite
AlPO(4).2H(2)O
Orthorhombic P bca Z = 8
Pbca
3 .11 .1993
Ref.Str.:
Kniep R., Mootz D. (1977)
* Acta Cryst., B33, 263-265
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.822 alpha = 90.0
b = 8.561 beta = 90.0
c = 9.63 gamma = 90.0
Unit cell volume (cub. angs.) = 809.75
Molar volume ( cub.cm/mol.) = 60.97
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1339 0.155 0.1684 0.0 Al = 1.00
2 0.1478 0.4684 0.3528 0.0 P = 1.00
3 0.1118 0.2987 0.3153 0.0 O = 1.00
4 0.0403 0.5819 0.2945 0.0 O = 1.00
5 0.2854 0.5125 0.2901 0.0 O = 1.00
6 0.15 0.4792 0.5122 0.0 O = 1.00
7 0.0604 0.3256 0.0547 0.0 H(2)O = 1.00
8 0.3073 0.236 0.115 0.0 H(2)O = 1.00
9 0.063 0.31 0.972 3.8 H = 1.00
10 0.988 0.371 0.068 4.0 H = 1.00
11 0.362 0.201 0.168 2.0 H = 1.00
12 0.314 0.334 0.085 4.7 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1339 0.155 0.1684
2 2 0.1478 0.4684 0.3528
3 3 0.1118 0.2987 0.3153
4 4 0.0403 0.5819 0.2945
5 5 0.2854 0.5125 0.2901
6 6 0.15 0.4792 0.5122
7 7 0.0604 0.3256 0.0547
8 8 0.3073 0.236 0.115
9 9 0.063 0.31 0.972
10 10 0.988 0.371 0.068
11 11 0.362 0.201 0.168
12 12 0.314 0.334 0.085
13 1 0.3661 0.845 0.6684
14 2 0.3522 0.5316 0.8528
15 3 0.3882 0.7013 0.8153
16 4 0.4597 0.4181 0.7945
17 5 0.2146 0.4875 0.7901
18 6 0.35 0.5208 0.0122
19 7 0.4396 0.6744 0.5547
20 8 0.1927 0.764 0.615
21 9 0.437 0.69 0.472
22 10 0.512 0.629 0.568
23 11 0.138 0.799 0.668
24 12 0.186 0.666 0.585
25 1 0.3661 0.655 0.1684
26 2 0.3522 0.9684 0.3528
27 3 0.3882 0.7987 0.3153
28 4 0.4597 0.0819 0.2945
29 5 0.2146 0.0125 0.2901
30 6 0.35 0.9792 0.5122
31 7 0.4396 0.8256 0.0547
32 8 0.1927 0.736 0.115
33 9 0.437 0.81 0.972
34 10 0.512 0.871 0.068
35 11 0.138 0.701 0.168
36 12 0.186 0.834 0.085
37 1 0.1339 0.345 0.6684
38 2 0.1478 0.0316 0.8528
39 3 0.1118 0.2013 0.8153
40 4 0.0403 0.9181 0.7945
41 5 0.2854 0.9875 0.7901
42 6 0.15 0.0208 0.0122
43 7 0.0604 0.1744 0.5547
44 8 0.3073 0.264 0.615
45 9 0.063 0.19 0.472
46 10 0.988 0.129 0.568
47 11 0.362 0.299 0.668
48 12 0.314 0.166 0.585
49 1 0.6339 0.155 0.3316
50 2 0.6478 0.4684 0.1472
51 3 0.6118 0.2987 0.1847
52 4 0.5403 0.5819 0.2055
53 5 0.7854 0.5125 0.2099
54 6 0.65 0.4792 0.9878
55 7 0.5604 0.3256 0.4453
56 8 0.8073 0.236 0.385
57 9 0.563 0.31 0.528
58 10 0.488 0.371 0.432
59 11 0.862 0.201 0.332
60 12 0.814 0.334 0.415
61 1 0.8661 0.845 0.8316
62 2 0.8522 0.5316 0.6472
63 3 0.8882 0.7013 0.6847
64 4 0.9597 0.4181 0.7055
65 5 0.7146 0.4875 0.7099
66 6 0.85 0.5208 0.4878
67 7 0.9396 0.6744 0.9453
68 8 0.6927 0.764 0.885
69 9 0.937 0.69 0.028
70 10 0.012 0.629 0.932
71 11 0.638 0.799 0.832
72 12 0.686 0.666 0.915
73 1 0.8661 0.655 0.3316
74 2 0.8522 0.9684 0.1472
75 3 0.8882 0.7987 0.1847
76 4 0.9597 0.0819 0.2055
77 5 0.7146 0.0125 0.2099
78 6 0.85 0.9792 0.9878
79 7 0.9396 0.8256 0.4453
80 8 0.6927 0.736 0.385
81 9 0.937 0.81 0.528
82 10 0.012 0.871 0.432
83 11 0.638 0.701 0.332
84 12 0.686 0.834 0.415
85 1 0.6339 0.345 0.8316
86 2 0.6478 0.0316 0.6472
87 3 0.6118 0.2013 0.6847
88 4 0.5403 0.9181 0.7055
89 5 0.7854 0.9875 0.7099
90 6 0.65 0.0208 0.4878
91 7 0.5604 0.1744 0.9453
92 8 0.8073 0.264 0.885
93 9 0.563 0.19 0.028
94 10 0.488 0.129 0.932
95 11 0.862 0.299 0.832
96 12 0.814 0.166 0.915
X-ray density (g/cm cub.) = 2.66
MU (1/cm) = 78.04 Mass attenuation coefficient (cm**2/g) = 29.371
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.484 6
1.8873 3
1.9629 7
1.9094 8
1.8682 5
1.8993 6
1.8565 4
2 P 2.4 4
1.5382 3
1.5408 4
1.5276 5
1.538 6
3 O 3.432 9
2.5321 4
2.5132 5
2.4746 6
2.5702 7
2.7743 8
2.6611 5
2.5889 7
3.1119 8
2.6067 4
4 O 3.432 9
2.5321 3
2.48 5
2.5156 6
3.1916 7
2.6398 8
2.6991 5
2.6891 6
2.6067 3
2.7276 7
5 O 3.432 9
2.5132 3
2.48 4
2.5348 6
2.9145 8
2.7514 6
3.2723 7
2.6611 3
2.7079 8
2.6991 4
6 O 3.432 10
2.4746 3
2.5156 4
2.5348 5
2.7514 5
3.3246 7
2.6649 8
2.784 7
2.6002 8
2.6891 4
2.9767 6
7 H(2)O 3.6 13
2.5702 3
3.1916 4
3.5472 5
2.609 8
3.2723 5
3.3246 6
2.5889 3
2.784 6
3.477 5
3.5936 4
3.3815 7
2.7276 4
3.0213 8
8 H(2)O 3.6 10
2.7743 3
2.9145 5
2.609 7
2.6649 6
2.6398 4
2.7079 5
3.4791 3
2.6002 6
3.1119 3
3.0213 7
9 H 1.8 1
0.8079 7
10 H 1.8 1
0.8205 7
11 H 1.8 1
0.7993 8
12 H 1.8 2
0.89 8
1.7816 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 1 1 8.261 16.522 0.093 93.94 8 74.9 643.0
2 2 0 0 9.024 18.048 0.102 78.36 2 46.5 51.6
3 0 0 2 9.205 18.411 0.104 75.22 2 96.4 213.4
4 1 0 2 10.263 20.526 0.116 60.1 4 3.7 0.5
5 0 2 0 10.367 20.734 0.117 58.85 2 54.7 53.8
6 2 1 0 10.418 20.835 0.117 58.26 4 131.5 614.9
7 0 2 1 11.357 22.715 0.128 48.68 4 54.5 88.1
8 2 1 1 11.404 22.808 0.128 48.27 8 52.1 159.8
9 1 1 2 11.513 23.026 0.13 47.31 8 20.1 23.3
10 1 2 1 12.238 24.475 0.138 41.64 8 48.7 120.5
11 2 0 2 12.946 25.893 0.145 36.99 4 23.2 12.1
12 2 2 0 13.811 27.621 0.155 32.26 4 50.3 49.8
13 0 2 2 13.933 27.865 0.156 31.66 4 29.6 16.9
14 2 1 2 13.971 27.942 0.157 31.48 8 33.3 42.6
15 2 2 1 14.582 29.163 0.163 28.73 8 10.6 3.9
16 1 2 2 14.669 29.337 0.164 28.37 8 142.5 702.7
17 3 1 1 15.324 30.649 0.172 25.83 8 111.7 393.4
18 1 1 3 15.546 31.091 0.174 25.05 8 96.1 282.0
19 3 0 2 16.529 33.059 0.185 21.94 4 14.5 2.8
20 2 2 2 16.7 33.4 0.187 21.46 8 1.1 0.0
21 1 3 1 16.993 33.985 0.19 20.66 8 63.2 100.7
22 3 1 2 17.361 34.723 0.194 19.72 8 55.8 74.9
23 0 2 3 17.454 34.908 0.195 19.49 4 65.7 51.3
24 2 1 3 17.486 34.971 0.195 19.41 8 29.6 20.7
25 3 2 1 17.867 35.734 0.199 18.52 8 1.2 0.0
26 1 2 3 18.061 36.121 0.201 18.08 8 84.8 158.6
27 2 3 0 18.191 36.382 0.203 17.8 4 58.8 37.6
28 4 0 0 18.282 36.564 0.204 17.61 2 162.6 142.1
29 0 0 4 18.66 37.32 0.208 16.83 2 58.8 17.7
30 2 3 1 18.8 37.601 0.209 16.56 8 47.4 45.3
31 1 3 2 18.87 37.74 0.21 16.42 8 34.9 24.4
32 4 1 0 19.047 38.094 0.212 16.09 4 55.8 30.6
33 1 0 4 19.234 38.467 0.214 15.74 4 95.7 88.0
34 4 1 1 19.634 39.267 0.218 15.04 8 45.8 38.5
35 3 2 2 19.672 39.345 0.219 14.98 8 1.2 0.0
36 2 2 3 19.784 39.568 0.22 14.79 8 39.7 28.4
37 1 1 4 19.968 39.935 0.222 14.49 8 16.2 4.6
38 3 1 3 20.359 40.717 0.226 13.88 8 24.5 10.1
39 2 3 2 20.536 41.071 0.228 13.61 8 23.4 9.1
40 4 0 2 20.618 41.236 0.229 13.49 4 12.8 1.4
41 2 0 4 20.875 41.75 0.231 13.12 4 44.6 15.9
42 0 4 0 21.094 42.188 0.234 12.82 2 94.9 35.2
43 4 2 0 21.201 42.403 0.235 12.67 4 3.7 0.1
44 4 1 2 21.312 42.624 0.236 12.53 8 49.8 37.9
45 3 3 1 21.524 43.048 0.238 12.25 8 18.8 5.3
46 0 2 4 21.536 43.072 0.238 12.24 4 54.5 22.2
47 2 1 4 21.562 43.124 0.239 12.2 8 6.4 0.6
48 0 4 1 21.634 43.269 0.239 12.11 4 2.8 0.1
49 1 3 3 21.69 43.38 0.24 12.04 8 76.8 86.6
50 4 2 1 21.739 43.479 0.24 11.98 8 2.6 0.1
51 1 2 4 22.047 44.094 0.244 11.61 8 56.7 45.5
52 1 4 1 22.144 44.288 0.245 11.49 8 15.4 3.3
53 3 2 3 22.408 44.817 0.247 11.19 8 64.0 55.8
54 3 3 2 23.09 46.18 0.255 10.46 8 1.0 0.0
55 2 4 0 23.116 46.232 0.255 10.43 4 103.9 68.6
56 2 3 3 23.188 46.377 0.256 10.36 8 8.4 0.9
57 0 4 2 23.195 46.389 0.256 10.35 4 10.8 0.7
58 4 2 2 23.294 46.588 0.257 10.25 8 78.3 76.6
59 3 0 4 23.4 46.799 0.258 10.15 4 38.2 9.0
60 2 2 4 23.527 47.055 0.259 10.02 8 37.2 16.9
61 2 4 1 23.619 47.239 0.26 9.93 8 54.1 35.4
62 1 4 2 23.677 47.355 0.261 9.88 8 59.5 42.7
63 4 1 3 23.896 47.791 0.263 9.67 8 38.2 17.2
64 3 1 4 24.029 48.059 0.264 9.55 8 22.9 6.1
65 5 1 1 24.216 48.433 0.266 9.39 8 19.1 4.2
66 4 3 0 24.446 48.893 0.269 9.19 4 121.5 82.7
67 1 1 5 24.669 49.337 0.271 9.0 8 62.5 43.0
68 4 3 1 24.929 49.859 0.274 8.79 8 24.9 6.6
69 5 0 2 25.056 50.111 0.275 8.69 4 8.2 0.4
70 2 4 2 25.083 50.167 0.275 8.66 8 19.2 3.9
71 1 3 4 25.207 50.413 0.276 8.57 8 39.7 16.5
72 3 3 3 25.534 51.067 0.28 8.32 8 43.8 19.4
73 0 4 3 25.63 51.261 0.281 8.25 4 33.6 5.7
74 5 1 2 25.655 51.31 0.281 8.23 8 36.9 13.7
75 4 2 3 25.723 51.445 0.282 8.18 8 13.2 1.7
76 3 2 4 25.849 51.699 0.283 8.09 8 20.1 4.0
77 3 4 1 25.935 51.871 0.284 8.03 8 21.7 4.6
78 0 2 5 26.012 52.024 0.285 7.98 4 37.4 6.8
79 5 2 1 26.027 52.054 0.285 7.97 8 90.5 79.6
80 2 1 5 26.035 52.069 0.285 7.96 8 48.0 22.4
81 1 4 3 26.079 52.159 0.285 7.93 8 56.3 30.6
82 4 3 2 26.339 52.679 0.288 7.75 8 26.1 6.5
83 1 2 5 26.456 52.912 0.289 7.67 8 26.6 6.6
84 2 3 4 26.553 53.106 0.29 7.61 8 54.5 27.6
85 4 0 4 26.62 53.241 0.291 7.57 4 73.1 24.7
86 4 1 4 27.195 54.39 0.297 7.21 8 24.3 5.2
87 3 4 2 27.308 54.616 0.298 7.14 8 48.2 20.2
88 2 4 3 27.395 54.79 0.299 7.09 8 16.9 2.5
89 5 2 2 27.396 54.793 0.299 7.09 8 51.2 22.6
90 1 5 1 27.621 55.241 0.301 6.96 8 8.9 0.7
91 2 2 5 27.76 55.519 0.302 6.88 8 16.3 2.2
92 5 1 3 27.933 55.866 0.304 6.78 8 48.0 19.1
93 6 0 0 28.07 56.139 0.305 6.71 2 79.0 12.8
94 3 1 5 28.206 56.413 0.307 6.63 8 3.8 0.1
95 2 5 0 28.453 56.906 0.309 6.5 4 23.8 2.2
96 4 4 0 28.517 57.035 0.31 6.47 4 16.4 1.1
97 4 3 3 28.58 57.159 0.311 6.44 8 43.0 14.5
98 6 1 0 28.625 57.249 0.311 6.42 4 104.8 43.0
99 0 0 6 28.681 57.361 0.312 6.39 2 143.6 40.2
100 3 3 4 28.698 57.395 0.312 6.38 8 34.3 9.1
101 0 4 4 28.787 57.574 0.313 6.34 4 15.6 0.9
102 5 3 1 28.863 57.726 0.313 6.3 8 10.4 0.8
103 4 2 4 28.872 57.745 0.313 6.29 8 27.4 5.8
104 2 5 1 28.888 57.777 0.314 6.29 8 35.1 9.5
105 1 5 2 28.939 57.877 0.314 6.26 8 84.8 54.9
106 4 4 1 28.952 57.904 0.314 6.25 8 64.9 32.2
107 6 1 1 29.058 58.117 0.315 6.2 8 11.6 1.0
108 1 0 6 29.097 58.194 0.316 6.18 4 17.3 1.1
109 1 4 4 29.203 58.405 0.317 6.13 8 88.2 58.3
110 1 3 5 29.264 58.528 0.317 6.1 8 37.6 10.6
111 3 4 3 29.499 58.998 0.32 6.0 8 59.3 25.7
112 5 2 3 29.583 59.166 0.32 5.96 8 83.4 50.5
113 1 1 6 29.64 59.279 0.321 5.93 8 40.8 12.1
114 6 0 2 29.801 59.603 0.323 5.86 4 1.1 0.0
115 3 2 5 29.847 59.693 0.323 5.84 8 23.8 4.0
116 5 3 2 30.146 60.292 0.326 5.71 8 15.6 1.7
117 2 5 2 30.171 60.341 0.326 5.7 8 21.8 3.3
118 4 4 2 30.233 60.466 0.327 5.67 8 36.4 9.2
119 6 2 0 30.25 60.501 0.327 5.67 4 64.2 14.2
120 2 0 6 30.325 60.65 0.328 5.64 4 23.4 1.9
121 6 1 2 30.336 60.672 0.328 5.63 8 65.4 29.4
122 5 0 4 30.404 60.807 0.329 5.6 4 55.2 10.4
123 2 4 4 30.428 60.856 0.329 5.59 8 1.4 0.0
124 2 3 5 30.488 60.976 0.329 5.57 8 122.8 102.5
125 6 2 1 30.67 61.34 0.331 5.5 8 15.4 1.6
126 0 2 6 30.834 61.668 0.333 5.43 4 48.5 7.8
127 2 1 6 30.855 61.709 0.333 5.42 8 82.9 45.5
128 3 5 1 30.927 61.854 0.334 5.4 8 53.4 18.7
129 5 1 4 30.932 61.865 0.334 5.39 8 22.8 3.4
130 1 5 3 31.056 62.111 0.335 5.35 8 19.9 2.6
131 4 1 5 31.077 62.154 0.335 5.34 8 59.8 23.3
132 1 2 6 31.233 62.466 0.337 5.28 8 40.3 10.5
133 4 3 4 31.54 63.081 0.34 5.17 8 25.3 4.0
134 6 2 2 31.909 63.818 0.343 5.04 8 17.9 2.0
135 3 5 2 32.16 64.321 0.346 4.95 8 115.2 80.2
136 5 3 3 32.215 64.431 0.346 4.93 8 36.5 8.0
137 2 5 3 32.239 64.478 0.346 4.93 8 32.3 6.3
138 4 4 3 32.299 64.598 0.347 4.91 8 6.1 0.2
139 3 0 6 32.309 64.619 0.347 4.9 4 43.5 5.7
140 6 1 3 32.399 64.797 0.348 4.87 8 2.8 0.0
141 3 4 4 32.409 64.818 0.348 4.87 8 4.4 0.1
142 2 2 6 32.413 64.826 0.348 4.87 8 20.8 2.6
143 3 3 5 32.467 64.933 0.348 4.85 8 37.1 8.1
144 5 2 4 32.488 64.977 0.349 4.84 8 40.6 9.8
145 0 4 5 32.55 65.1 0.349 4.82 4 113.8 38.1
146 5 4 1 32.563 65.126 0.349 4.82 8 1.7 0.0
147 4 2 5 32.629 65.259 0.35 4.8 8 16.1 1.5
148 0 6 0 32.674 65.347 0.35 4.79 2 108.7 17.3
149 3 1 6 32.821 65.641 0.352 4.74 8 6.1 0.2
150 6 3 0 32.852 65.704 0.352 4.73 4 31.8 2.9
151 1 4 5 32.937 65.874 0.353 4.7 8 33.3 6.3
152 0 6 1 33.076 66.151 0.354 4.66 4 72.4 14.9
153 6 3 1 33.253 66.506 0.356 4.61 8 91.8 47.4
154 4 5 0 33.261 66.521 0.356 4.61 4 43.6 5.3
155 1 6 1 33.46 66.92 0.358 4.55 8 46.9 12.2
156 4 5 1 33.659 67.318 0.36 4.49 8 5.9 0.2
157 5 4 2 33.764 67.527 0.361 4.46 8 65.3 23.2
158 1 3 6 33.792 67.584 0.361 4.46 8 39.9 8.7
159 1 5 4 33.889 67.779 0.362 4.43 8 24.5 3.2
160 6 2 3 33.918 67.837 0.362 4.42 8 3.9 0.1
161 2 4 5 34.085 68.171 0.364 4.38 8 4.9 0.1
162 3 5 3 34.162 68.324 0.365 4.36 8 22.5 2.7
163 7 1 1 34.195 68.39 0.365 4.35 8 95.1 48.0
164 2 6 0 34.206 68.413 0.365 4.34 4 26.7 1.9
165 0 6 2 34.267 68.535 0.365 4.33 4 0.3 0.0
166 3 2 6 34.331 68.662 0.366 4.31 8 16.5 1.4
167 6 3 2 34.442 68.883 0.367 4.28 8 14.8 1.1
168 5 1 5 34.561 69.121 0.368 4.25 8 29.3 4.5
169 2 6 1 34.6 69.199 0.369 4.24 8 6.0 0.2
170 1 6 2 34.645 69.29 0.369 4.23 8 8.0 0.3
171 6 0 4 34.682 69.363 0.369 4.22 4 51.2 6.7
172 4 5 2 34.841 69.682 0.371 4.18 8 3.2 0.1
173 7 0 2 34.876 69.752 0.371 4.17 4 3.3 0.0
174 1 1 7 34.924 69.849 0.372 4.16 8 52.0 13.7
175 2 3 6 34.927 69.854 0.372 4.16 8 29.1 4.3
176 4 0 6 34.984 69.969 0.372 4.15 4 139.4 49.2
177 5 3 4 35.0 70.0 0.372 4.14 8 24.8 3.1
178 2 5 4 35.023 70.045 0.373 4.14 8 8.2 0.3
179 4 4 4 35.08 70.16 0.373 4.13 8 1.1 0.0
180 4 3 5 35.136 70.271 0.374 4.11 8 25.6 3.3
181 6 1 4 35.176 70.351 0.374 4.1 8 48.0 11.5
182 7 1 2 35.369 70.738 0.376 4.06 8 24.2 2.9
183 4 1 6 35.477 70.953 0.377 4.03 8 32.5 5.2
184 7 2 1 35.677 71.355 0.379 3.99 8 23.6 2.7
185 5 4 3 35.721 71.442 0.379 3.98 8 16.5 1.3
186 2 6 2 35.767 71.535 0.379 3.97 8 52.3 13.2
187 3 4 5 35.96 71.921 0.381 3.93 8 44.7 9.6
188 0 2 7 36.024 72.047 0.382 3.91 4 24.9 1.5
189 5 2 5 36.036 72.072 0.382 3.91 8 54.1 14.0
190 2 1 7 36.043 72.085 0.382 3.91 8 16.2 1.3
191 0 6 3 36.213 72.425 0.383 3.87 4 12.0 0.3
192 6 4 0 36.328 72.655 0.385 3.85 4 45.4 4.9
193 6 3 3 36.382 72.765 0.385 3.84 8 16.3 1.3
194 1 2 7 36.393 72.787 0.385 3.84 8 55.3 14.3
195 3 6 1 36.463 72.925 0.386 3.82 8 10.2 0.5
196 1 6 3 36.581 73.163 0.387 3.8 8 28.3 3.7
197 6 2 4 36.641 73.281 0.387 3.79 8 3.2 0.0
198 6 4 1 36.711 73.422 0.388 3.78 8 57.5 15.2
199 4 5 3 36.773 73.546 0.389 3.76 8 1.7 0.0
200 3 3 6 36.783 73.566 0.389 3.76 8 8.8 0.4
201 7 2 2 36.83 73.661 0.389 3.75 8 50.0 11.4
202 0 4 6 36.861 73.723 0.389 3.75 4 12.0 0.3
203 3 5 4 36.876 73.753 0.39 3.74 8 89.4 36.5
204 4 2 6 36.936 73.873 0.39 3.73 8 16.5 1.2
205 5 5 1 37.022 74.043 0.391 3.72 8 21.1 2.0
206 1 4 6 37.228 74.456 0.393 3.68 8 17.0 1.3
207 7 1 3 37.289 74.579 0.393 3.67 8 73.3 24.1
208 1 5 5 37.375 74.751 0.394 3.65 8 8.6 0.3
209 2 2 7 37.494 74.988 0.395 3.63 8 7.7 0.3
210 3 6 2 37.606 75.213 0.396 3.61 8 54.8 13.2
211 2 6 3 37.68 75.36 0.397 3.6 8 1.3 0.0
212 6 4 2 37.852 75.704 0.398 3.57 8 27.7 3.3
213 3 1 7 37.877 75.753 0.399 3.56 8 111.0 53.6
214 7 3 1 38.094 76.187 0.4 3.53 8 9.1 0.4
215 5 5 2 38.159 76.319 0.401 3.52 8 7.3 0.2
216 5 0 6 38.298 76.595 0.402 3.5 4 59.5 7.6
217 2 4 6 38.32 76.639 0.402 3.49 8 0.1 0.0
218 5 4 4 38.39 76.78 0.403 3.48 8 73.0 22.6
219 5 3 5 38.444 76.888 0.404 3.47 8 6.2 0.2
220 2 5 5 38.466 76.931 0.404 3.47 8 40.9 7.1
221 4 4 5 38.521 77.042 0.404 3.46 8 57.7 14.1
222 6 1 5 38.614 77.227 0.405 3.45 8 27.2 3.1
223 4 6 0 38.636 77.273 0.405 3.44 4 89.0 16.6
224 7 2 3 38.724 77.447 0.406 3.43 8 38.0 6.0
225 5 1 6 38.774 77.547 0.407 3.42 8 29.4 3.6
226 1 3 7 38.793 77.586 0.407 3.42 8 18.9 1.5
227 8 0 0 38.858 77.716 0.407 3.41 2 39.3 1.6
228 0 6 4 38.869 77.738 0.407 3.41 4 1.6 0.0
229 4 6 1 39.012 78.023 0.409 3.39 8 85.4 30.1
230 6 3 4 39.035 78.07 0.409 3.38 8 7.9 0.3
231 7 3 2 39.221 78.442 0.41 3.36 8 30.2 3.7
232 1 6 4 39.229 78.458 0.411 3.36 8 0.8 0.0
233 3 2 7 39.304 78.608 0.411 3.35 8 41.6 7.1
234 4 3 6 39.325 78.649 0.411 3.34 8 17.2 1.2
235 8 1 0 39.332 78.664 0.411 3.34 4 14.9 0.5
236 4 5 4 39.416 78.833 0.412 3.33 8 22.0 2.0
237 7 0 4 39.45 78.899 0.412 3.33 4 41.2 3.4
238 3 6 3 39.487 78.974 0.413 3.32 8 24.8 2.5
239 8 1 1 39.705 79.41 0.415 3.29 8 66.8 17.9
240 6 4 3 39.729 79.458 0.415 3.29 8 20.8 1.7
241 1 7 1 39.77 79.541 0.415 3.28 8 15.0 0.9
242 0 0 8 39.784 79.569 0.415 3.28 2 35.2 1.2
243 2 3 7 39.871 79.743 0.416 3.27 8 19.6 1.5
244 7 1 4 39.922 79.843 0.417 3.26 8 37.6 5.6
245 5 5 3 40.032 80.064 0.418 3.25 8 52.5 10.9
246 6 2 5 40.033 80.066 0.418 3.25 8 12.8 0.7
247 3 4 6 40.118 80.237 0.418 3.24 8 35.5 5.0
248 4 6 2 40.132 80.263 0.418 3.24 8 20.6 1.7
249 1 0 8 40.142 80.285 0.418 3.24 4 15.3 0.5
250 5 2 6 40.191 80.383 0.419 3.23 8 88.3 30.7
251 3 5 5 40.263 80.525 0.42 3.22 8 35.6 5.0
252 2 6 4 40.304 80.609 0.42 3.22 8 26.7 2.8
253 8 0 2 40.351 80.702 0.42 3.21 4 46.3 4.2
254 4 1 7 40.397 80.793 0.421 3.21 8 27.3 2.9
255 2 7 0 40.471 80.942 0.421 3.2 4 152.8 45.5
256 1 1 8 40.612 81.224 0.423 3.18 8 18.4 1.3
257 6 5 0 40.617 81.234 0.423 3.18 4 25.6 1.3
258 8 2 0 40.745 81.489 0.424 3.17 4 22.8 1.0
259 8 1 2 40.82 81.64 0.424 3.16 8 11.6 0.5
260 2 7 1 40.842 81.684 0.425 3.16 8 73.3 20.7
261 1 7 2 40.885 81.77 0.425 3.15 8 11.9 0.5
262 6 5 1 40.988 81.975 0.426 3.14 8 57.7 12.8
263 7 3 3 41.081 82.161 0.427 3.13 8 0.8 0.0
264 8 2 1 41.115 82.23 0.427 3.13 8 17.1 1.1
265 2 0 8 41.212 82.423 0.428 3.12 4 47.5 4.3
266 7 2 4 41.33 82.659 0.429 3.1 8 19.1 1.4
267 7 4 1 41.398 82.795 0.429 3.1 8 24.2 2.2
268 1 5 6 41.489 82.977 0.43 3.09 8 24.3 2.2
269 3 3 7 41.653 83.306 0.431 3.07 8 70.7 18.7
270 0 2 8 41.661 83.322 0.431 3.07 4 48.2 4.3
271 2 1 8 41.679 83.358 0.432 3.07 8 60.6 13.7
272 0 4 7 41.729 83.458 0.432 3.06 4 13.9 0.4
273 5 4 5 41.741 83.481 0.432 3.06 8 7.6 0.2
274 4 2 7 41.801 83.603 0.433 3.06 8 27.7 2.9
275 2 7 2 41.951 83.901 0.434 3.04 8 15.9 0.9
276 4 6 3 41.982 83.965 0.434 3.04 8 2.9 0.0
277 1 2 8 42.016 84.031 0.434 3.04 8 10.6 0.4
278 3 6 4 42.082 84.164 0.435 3.03 8 20.2 1.5
279 1 4 7 42.083 84.167 0.435 3.03 8 36.0 4.8
280 6 5 2 42.095 84.191 0.435 3.03 8 32.3 3.9
281 0 6 5 42.211 84.421 0.436 3.02 4 82.4 12.5
282 8 2 2 42.222 84.444 0.436 3.02 8 40.7 6.1
283 5 6 1 42.222 84.445 0.436 3.02 8 52.7 10.2
284 6 0 6 42.231 84.461 0.436 3.02 4 61.2 6.9
285 6 4 4 42.321 84.642 0.437 3.01 8 19.3 1.4
286 6 3 5 42.373 84.747 0.437 3.01 8 49.9 9.1
287 7 4 2 42.504 85.007 0.439 2.99 8 30.2 3.3
288 5 3 6 42.53 85.06 0.439 2.99 8 26.1 2.5
289 2 5 6 42.552 85.103 0.439 2.99 8 5.3 0.1
290 1 6 5 42.564 85.129 0.439 2.99 8 7.5 0.2
291 4 4 6 42.606 85.212 0.439 2.99 8 10.4 0.4
292 3 7 1 42.616 85.231 0.44 2.98 8 45.0 7.4
293 5 5 4 42.62 85.241 0.44 2.98 8 21.7 1.7
294 8 1 3 42.665 85.331 0.44 2.98 8 10.5 0.4
295 6 1 6 42.696 85.392 0.44 2.98 8 62.7 14.3
296 1 7 3 42.73 85.459 0.44 2.98 8 2.9 0.0
297 4 5 5 42.749 85.497 0.441 2.97 8 38.1 5.3
298 3 0 8 42.983 85.966 0.443 2.96 4 16.2 0.5
299 2 2 8 43.077 86.153 0.443 2.95 8 14.3 0.7
300 8 3 0 43.078 86.156 0.443 2.95 4 21.3 0.8
301 2 4 7 43.144 86.288 0.444 2.94 8 17.2 1.1
302 7 1 5 43.246 86.493 0.445 2.94 8 44.8 7.2
303 5 6 2 43.325 86.651 0.445 2.93 8 8.3 0.2
304 8 3 1 43.445 86.891 0.446 2.92 8 83.7 25.0
305 3 1 8 43.448 86.895 0.446 2.92 8 32.0 3.7
306 5 1 7 43.587 87.175 0.448 2.91 8 2.5 0.0
307 2 6 5 43.624 87.248 0.448 2.91 8 20.3 1.5
308 7 3 4 43.658 87.317 0.448 2.91 8 6.8 0.2
309 3 7 2 43.718 87.436 0.449 2.9 8 26.5 2.5
310 2 7 3 43.789 87.578 0.449 2.9 8 15.6 0.9
311 6 5 3 43.933 87.866 0.45 2.89 8 42.6 6.4
312 8 2 3 44.059 88.119 0.451 2.88 8 16.3 0.9
313 6 2 6 44.09 88.18 0.452 2.88 8 46.8 7.7
314 4 3 7 44.127 88.254 0.452 2.88 8 29.7 3.1
315 3 5 6 44.316 88.633 0.453 2.87 8 41.8 6.1
316 7 4 3 44.34 88.679 0.454 2.86 8 15.4 0.8
317 1 3 8 44.34 88.68 0.454 2.86 8 27.0 2.6
318 8 3 2 44.546 89.092 0.455 2.85 8 10.6 0.4
319 4 6 4 44.554 89.108 0.455 2.85 8 29.2 3.0
320 7 2 5 44.639 89.278 0.456 2.85 8 38.3 5.1
321 4 7 0 44.719 89.437 0.457 2.84 4 39.3 2.7
322 8 0 4 44.77 89.54 0.457 2.84 4 27.9 1.4
323 3 2 8 44.84 89.68 0.458 2.84 8 38.0 5.0
324 3 4 7 44.907 89.815 0.458 2.83 8 7.6 0.2
325 5 2 7 44.98 89.959 0.459 2.83 8 15.1 0.8
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 1 8.261 16.522 5.36108 643.0 91.5 92.4 5.6
2 2 0 0 9.024 18.048 4.911 51.6 7.3 7.4 5.6
3 0 0 2 9.205 18.411 4.815 213.4 30.4 30.6 5.6
4 0 2 0 10.367 20.734 4.2805 53.8 7.7 7.7 5.6
5 2 1 0 10.418 20.835 4.25986 614.9 87.5 88.1 5.6
6 0 2 1 11.357 22.715 3.91149 88.1 12.5 12.6 5.6
7 2 1 1 11.404 22.808 3.89573 159.8 22.7 22.9 5.6
8 1 1 2 11.513 23.026 3.85923 23.3 3.3 3.3 5.6
9 1 2 1 12.238 24.475 3.63394 120.5 17.1 17.2 5.6
10 2 0 2 12.946 25.893 3.43816 12.1 1.7 1.7 5.6
11 2 2 0 13.811 27.621 3.22681 49.8 7.1 7.1 5.6
12 0 2 2 13.933 27.865 3.19912 16.9 2.4 2.4 5.6
13 2 1 2 13.971 27.942 3.19048 42.6 6.1 6.1 5.6
14 1 2 2 14.669 29.337 3.04184 702.7 100.0 100.0 5.6
15 3 1 1 15.324 30.649 2.91458 393.4 56.0 55.9 5.6
16 1 1 3 15.546 31.091 2.8741 282.0 40.1 40.1 5.6
17 1 3 1 16.993 33.985 2.63571 100.7 14.3 14.3 5.7
18 3 1 2 17.361 34.723 2.5814 74.9 10.7 10.6 5.7
19 0 2 3 17.454 34.908 2.56811 51.3 7.3 7.3 5.7
20 2 1 3 17.486 34.971 2.56363 20.7 2.9 2.9 5.7
21 1 2 3 18.061 36.121 2.48458 158.6 22.6 22.4 5.7
22 2 3 0 18.191 36.382 2.46736 37.6 5.3 5.3 5.7
23 4 0 0 18.282 36.564 2.4555 142.1 20.2 20.1 5.7
24 0 0 4 18.66 37.32 2.4075 17.7 2.5 2.5 5.7
25 2 3 1 18.8 37.601 2.39015 45.3 6.4 6.4 5.7
26 1 3 2 18.87 37.74 2.38165 24.4 3.5 3.4 5.7
27 4 1 0 19.047 38.094 2.36033 30.6 4.4 4.3 5.7
28 1 0 4 19.234 38.467 2.33828 88.0 12.5 12.4 5.7
29 4 1 1 19.634 39.267 2.29247 38.5 5.5 5.4 5.7
30 2 2 3 19.784 39.568 2.27573 28.4 4.0 4.0 5.7
31 3 1 3 20.359 40.717 2.21412 10.1 1.4 1.4 5.7
32 2 3 2 20.536 41.071 2.19584 9.1 1.3 1.3 5.7
33 2 0 4 20.875 41.75 2.16172 15.9 2.3 2.2 5.7
34 0 4 0 21.094 42.188 2.14025 35.2 5.0 4.9 5.7
35 4 1 2 21.312 42.624 2.11938 37.9 5.4 5.3 5.7
36 0 2 4 21.536 43.072 2.09838 27.4 3.9 3.9 5.7
37 1 3 3 21.69 43.38 2.08418 86.6 12.3 12.2 5.7
38 1 2 4 22.047 44.094 2.05207 45.5 6.5 6.4 5.7
39 3 2 3 22.408 44.817 2.02065 55.8 7.9 7.8 5.7
40 2 4 0 23.116 46.232 1.96202 68.6 9.8 9.6 5.7
41 4 2 2 23.294 46.588 1.94786 76.6 10.9 10.7 5.7
42 3 0 4 23.4 46.799 1.93956 9.0 1.3 1.3 5.7
43 2 2 4 23.527 47.055 1.92961 16.9 2.4 2.4 5.7
44 2 4 1 23.619 47.239 1.92253 35.4 5.0 5.0 5.7
45 1 4 2 23.677 47.355 1.91809 42.7 6.1 6.0 5.7
46 4 1 3 23.896 47.791 1.90159 17.2 2.5 2.4 5.7
47 4 3 0 24.446 48.893 1.86129 82.7 11.8 11.5 5.7
48 1 1 5 24.669 49.337 1.84557 43.0 6.1 6.0 5.7
49 1 3 4 25.207 50.413 1.80865 16.5 2.3 2.3 5.8
50 3 3 3 25.534 51.067 1.78703 19.4 2.8 2.7 5.8
51 5 1 2 25.655 51.31 1.77914 19.3 2.8 2.7 5.8
52 2 1 5 26.035 52.069 1.75496 108.8 15.5 15.1 5.8
53 1 4 3 26.079 52.159 1.75217 30.6 4.4 4.3 5.8
54 2 3 4 26.553 53.106 1.72313 27.6 3.9 3.8 5.8
55 4 0 4 26.62 53.241 1.71908 24.7 3.5 3.4 5.8
56 3 4 2 27.308 54.616 1.67899 20.2 2.9 2.8 5.8
57 5 2 2 27.396 54.793 1.674 25.1 3.6 3.5 5.8
58 5 1 3 27.933 55.866 1.64435 19.1 2.7 2.6 5.8
59 6 0 0 28.07 56.139 1.637 12.8 1.8 1.8 5.8
60 4 3 3 28.58 57.159 1.61018 14.5 2.1 2.0 5.8
61 6 1 0 28.625 57.249 1.60787 43.0 6.1 5.9 5.8
62 0 0 6 28.681 57.361 1.605 49.3 7.0 6.8 5.8
63 2 5 1 28.888 57.777 1.59444 15.2 2.2 2.1 5.8
64 1 5 2 28.939 57.877 1.59191 87.0 12.4 12.0 5.8
65 1 4 4 29.203 58.405 1.57876 58.3 8.3 8.0 5.8
66 1 3 5 29.264 58.528 1.57574 10.6 1.5 1.5 5.8
67 3 4 3 29.499 58.998 1.56432 25.7 3.7 3.5 5.8
68 5 2 3 29.583 59.166 1.56027 50.5 7.2 7.0 5.8
69 1 1 6 29.64 59.279 1.55755 12.1 1.7 1.7 5.8
70 6 2 0 30.25 60.501 1.529 23.4 3.3 3.2 5.8
71 6 1 2 30.336 60.672 1.52509 31.3 4.5 4.3 5.8
72 5 0 4 30.404 60.807 1.52203 10.4 1.5 1.4 5.8
73 2 3 5 30.488 60.976 1.51822 102.5 14.6 14.1 5.8
74 2 1 6 30.855 61.709 1.50193 53.3 7.6 7.3 5.8
75 3 5 1 30.927 61.854 1.49876 22.2 3.2 3.0 5.8
76 4 1 5 31.077 62.154 1.49224 25.9 3.7 3.6 5.8
77 1 2 6 31.233 62.466 1.48554 10.5 1.5 1.4 5.8
78 3 5 2 32.16 64.321 1.4471 80.2 11.4 11.0 5.9
79 5 3 3 32.215 64.431 1.4449 14.3 2.0 2.0 5.9
80 5 2 4 32.488 64.977 1.43407 17.9 2.5 2.4 5.9
81 0 4 5 32.55 65.1 1.43166 38.1 5.4 5.2 5.9
82 0 6 0 32.674 65.347 1.42683 17.3 2.5 2.4 5.9
83 0 6 1 33.076 66.151 1.41142 14.9 2.1 2.0 5.9
84 6 3 1 33.253 66.506 1.40477 52.7 7.5 7.2 5.9
85 1 6 1 33.46 66.92 1.39707 12.2 1.7 1.7 5.9
86 5 4 2 33.764 67.527 1.38597 31.9 4.5 4.3 5.9
87 7 1 1 34.195 68.39 1.37057 49.9 7.1 6.8 5.9
88 1 1 7 34.924 69.849 1.34548 18.0 2.6 2.4 5.9
89 4 0 6 34.984 69.969 1.34347 52.3 7.4 7.1 5.9
90 6 1 4 35.176 70.351 1.33709 11.5 1.6 1.6 5.9
91 2 6 2 35.767 71.535 1.31786 13.2 1.9 1.8 5.9
92 3 4 5 35.96 71.921 1.31173 9.6 1.4 1.3 5.9
93 5 2 5 36.036 72.072 1.30934 16.7 2.4 2.2 5.9
94 1 2 7 36.393 72.787 1.29824 15.6 2.2 2.1 6.0
95 6 4 1 36.711 73.422 1.28857 15.2 2.2 2.0 6.0
96 7 2 2 36.83 73.661 1.28498 11.4 1.6 1.5 6.0
97 3 5 4 36.876 73.753 1.2836 36.5 5.2 4.9 6.0
98 7 1 3 37.289 74.579 1.27142 24.1 3.4 3.2 6.0
99 3 6 2 37.606 75.213 1.26227 13.2 1.9 1.8 6.0
100 3 1 7 37.877 75.753 1.2546 57.0 8.1 7.6 6.0
101 5 0 6 38.298 76.595 1.24289 7.6 1.1 1.0 6.0
102 5 4 4 38.39 76.78 1.24036 22.6 3.2 3.0 6.0
103 2 5 5 38.466 76.931 1.2383 7.1 1.0 0.9 6.0
104 4 4 5 38.521 77.042 1.23679 14.1 2.0 1.9 6.0
105 4 6 0 38.636 77.273 1.23368 19.8 2.8 2.6 6.0
106 4 6 1 39.012 78.023 1.22368 30.4 4.3 4.0 6.0
107 3 2 7 39.304 78.608 1.21604 8.7 1.2 1.2 6.0
108 8 1 1 39.705 79.41 1.20575 19.6 2.8 2.6 6.0
109 5 5 3 40.032 80.064 1.19754 11.6 1.6 1.5 6.0
110 3 4 6 40.118 80.237 1.1954 7.1 1.0 0.9 6.0
111 5 2 6 40.191 80.383 1.1936 30.7 4.4 4.1 6.0
112 2 7 0 40.471 80.942 1.18675 45.5 6.5 6.0 6.1
113 2 7 1 40.842 81.684 1.17784 20.7 2.9 2.7 6.1
114 6 5 1 40.988 81.975 1.17439 12.8 1.8 1.7 6.1
115 3 3 7 41.653 83.306 1.15898 36.8 5.2 4.8 6.1
116 6 5 2 42.095 84.191 1.14904 10.1 1.4 1.3 6.1
117 0 6 5 42.211 84.421 1.14649 35.7 5.1 4.7 6.1
118 6 3 5 42.373 84.747 1.14292 9.1 1.3 1.2 6.1
119 3 7 1 42.616 85.231 1.13765 9.1 1.3 1.2 6.1
120 6 1 6 42.696 85.392 1.13592 14.3 2.0 1.9 6.1
121 7 1 5 43.246 86.493 1.12427 7.2 1.0 0.9 6.1
122 8 3 1 43.445 86.891 1.12014 28.6 4.1 3.7 6.1
123 6 2 6 44.09 88.18 1.10706 7.7 1.1 1.0 6.2
124 3 5 6 44.316 88.633 1.10257 9.5 1.4 1.2 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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