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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STRINGHAMITE
1
CaCuSiO(4).H(2)O
Monoclinic P 2(1)/c Z = 4
R =0.037 NR =1009
14 .11 .1989
Ref.Str.:
F.C.Hawthorne (1985)
* Miner. Petrorg. Mitt., 34, 15-24
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.03 alpha = 90.0
b = 16.135 beta = 102.96
c = 5.343 gamma = 90.0
Unit cell volume (cub. angs.) = 422.59
Molar volume ( cub.cm/mol.) = 63.63
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6496 0.1767 0.3464 0.01 Ca = 1.00
2 0.0 0.0 0.5 0.01 Cu = 1.00
3 0.5 0.0 0.0 0.01 Cu = 1.00
4 0.9802 0.1112 0.971 0.01 Si = 1.00
5 0.8995 0.2058 0.0268 0.01 O = 1.00
6 0.8461 0.0853 0.674 0.01 O = 1.00
7 0.3129 0.1023 0.0383 0.01 O = 1.00
8 0.8419 0.0541 0.1691 0.01 O = 1.00
9 0.3525 0.2094 0.6257 0.01 O = 1.00
10 0.319 0.316 0.222 0.01 H = 1.00
11 0.184 0.258 0.081 0.01 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6496 0.1767 0.3464
2 2 0.0 0.0 0.5
3 3 0.5 0.0 0.0
4 4 0.9802 0.1112 0.971
5 5 0.8995 0.2058 0.0268
6 6 0.8461 0.0853 0.674
7 7 0.3129 0.1023 0.0383
8 8 0.8419 0.0541 0.1691
9 9 0.3525 0.2094 0.6257
10 10 0.319 0.316 0.222
11 11 0.184 0.258 0.081
12 1 0.3504 0.6767 0.1536
13 2 0.0 0.5 0.0
14 3 0.5 0.5 0.5
15 4 0.0198 0.6112 0.529
16 5 0.1005 0.7058 0.4732
17 6 0.1539 0.5853 0.826
18 7 0.6871 0.6023 0.4617
19 8 0.1581 0.5541 0.3309
20 9 0.6475 0.7094 0.8743
21 10 0.681 0.816 0.278
22 11 0.816 0.758 0.419
23 1 0.6496 0.3233 0.8464
24 4 0.9802 0.3888 0.471
25 5 0.8995 0.2942 0.5268
26 6 0.8461 0.4147 0.174
27 7 0.3129 0.3977 0.5383
28 8 0.8419 0.4459 0.6691
29 9 0.3525 0.2906 0.1257
30 10 0.319 0.184 0.722
31 11 0.184 0.242 0.581
32 1 0.3504 0.8233 0.6536
33 4 0.0198 0.8888 0.029
34 5 0.1005 0.7942 0.9732
35 6 0.1539 0.9147 0.326
36 7 0.6871 0.8977 0.9617
37 8 0.1581 0.9459 0.8309
38 9 0.6475 0.7906 0.3743
39 10 0.681 0.684 0.778
40 11 0.816 0.742 0.919
X-ray density (g/cm cub.) = 3.36
MU (1/cm) = 196.054 Mass attenuation coefficient (cm**2/g) = 58.381
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.3831 5
2.3323 6
2.4018 7
2.4813 8
2.3956 9
2.358 5
2.4921 9
2 Cu 2.808 4
1.9185 6
1.9722 8
1.9185 6
1.9722 8
3 Cu 2.808 4
1.9335 7
1.9593 8
1.9335 7
1.9593 8
4 Si 2.1 4
1.6241 5
1.6333 6
1.6372 7
1.6683 8
5 O 3.264 8
2.6793 6
2.6569 7
2.5985 8
3.0857 9
3.0284 5
3.0284 5
2.6083 9
3.2208 9
6 O 3.264 6
2.6793 5
2.7069 7
2.6975 8
2.7397 8
3.1548 9
2.7631 8
7 O 3.264 7
2.6569 5
2.7069 6
2.7091 8
2.7292 8
2.843 9
3.0736 9
2.7956 8
8 O 3.264 8
2.5985 5
2.7397 6
2.6975 6
2.7292 7
2.7091 7
2.7631 6
2.7956 7
3.1831 8
9 O 3.264 8
3.0857 5
3.1548 6
2.843 7
3.2208 5
2.6083 5
3.0736 7
2.9755 9
2.9755 9
10 H 1.632 1
0.7071 9
11 H 1.632 2
1.6295 5
0.9804 9
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 5.479 10.958 0.062 216.41 2 56.7 779.5
2 0 1 1 8.943 17.885 0.101 79.84 4 46.2 381.0
3 1 0 0 9.041 18.082 0.102 78.06 2 34.5 103.9
4 1 1 0 9.453 18.905 0.107 71.23 4 46.9 351.1
5 0 2 1 10.141 20.282 0.114 61.6 4 26.6 97.8
6 1 2 0 10.595 21.191 0.119 56.25 4 44.0 244.1
7 0 4 0 11.009 22.017 0.124 51.95 2 35.2 72.1
8 1 1 -1 11.305 22.61 0.127 49.15 4 75.6 628.4
9 0 3 1 11.882 23.765 0.134 44.29 4 7.0 4.9
10 1 3 0 12.276 24.551 0.138 41.37 4 21.3 42.2
11 1 2 -1 12.284 24.568 0.138 41.31 4 58.9 320.7
12 1 3 -1 13.771 27.542 0.155 32.46 4 112.3 916.7
13 0 4 1 13.978 27.957 0.157 31.44 4 32.3 73.6
14 1 1 1 14.092 28.184 0.158 30.9 4 33.5 77.7
15 1 4 0 14.318 28.636 0.161 29.87 4 24.6 40.5
16 1 2 1 14.9 29.801 0.167 27.43 4 3.6 0.8
17 1 4 -1 15.633 31.266 0.175 24.75 4 7.1 2.8
18 1 3 1 16.166 32.332 0.181 23.02 4 190.8 1877.4
19 0 5 1 16.309 32.619 0.182 22.59 4 72.3 264.6
20 1 5 0 16.605 33.211 0.186 21.72 4 8.5 3.5
21 0 6 0 16.645 33.29 0.186 21.61 2 79.1 151.5
22 0 0 2 17.21 34.419 0.192 20.1 2 126.4 359.7
23 0 1 2 17.439 34.879 0.195 19.52 4 4.1 0.7
24 1 0 -2 17.595 35.19 0.196 19.15 2 87.3 163.6
25 1 5 -1 17.768 35.537 0.198 18.74 4 139.6 817.9
26 1 4 1 17.802 35.604 0.198 18.66 4 18.0 13.6
27 1 1 -2 17.82 35.641 0.199 18.62 4 0.6 0.0
28 0 2 2 18.113 36.226 0.202 17.97 4 84.4 287.0
29 2 0 0 18.317 36.635 0.204 17.53 2 78.2 120.1
30 1 2 -2 18.482 36.964 0.206 17.19 4 84.3 273.9
31 2 1 0 18.535 37.07 0.206 17.08 4 24.6 23.1
32 2 1 -1 18.633 37.266 0.207 16.89 4 44.1 73.5
33 0 6 1 18.807 37.614 0.209 16.54 4 25.3 23.7
34 1 6 0 19.069 38.138 0.212 16.04 4 61.4 135.4
35 2 2 0 19.176 38.351 0.213 15.85 4 96.3 329.0
36 0 3 2 19.19 38.381 0.213 15.82 4 18.6 12.2
37 2 2 -1 19.271 38.541 0.214 15.68 4 33.1 38.4
38 1 3 -2 19.542 39.084 0.217 15.2 4 33.6 38.5
39 1 5 1 19.731 39.463 0.219 14.88 4 13.9 6.4
40 1 6 -1 20.108 40.217 0.223 14.26 4 51.1 83.4
41 2 3 0 20.205 40.409 0.224 14.11 4 41.2 53.5
42 2 3 -1 20.296 40.591 0.225 13.97 4 93.7 274.8
43 0 4 2 20.618 41.237 0.229 13.49 4 61.2 113.2
44 1 4 -2 20.95 41.9 0.232 13.02 4 27.6 22.3
45 1 0 2 21.396 42.792 0.237 12.42 2 5.2 0.4
46 0 7 1 21.436 42.872 0.237 12.36 4 3.7 0.4
47 2 4 0 21.577 43.153 0.239 12.18 4 73.0 145.5
48 1 1 2 21.587 43.175 0.239 12.17 4 35.5 34.3
49 2 4 -1 21.663 43.326 0.24 12.07 4 19.9 10.7
50 1 7 0 21.671 43.342 0.24 12.06 4 60.4 98.6
51 1 6 1 21.894 43.789 0.242 11.79 4 11.8 3.6
52 1 2 2 22.154 44.308 0.245 11.48 4 27.6 19.5
53 2 1 1 22.284 44.568 0.246 11.33 4 2.4 0.2
54 0 5 2 22.343 44.686 0.247 11.26 4 69.2 120.8
55 2 0 -2 22.35 44.7 0.247 11.25 2 24.2 7.4
56 0 8 0 22.453 44.905 0.248 11.14 2 32.5 13.2
57 2 1 -2 22.535 45.07 0.249 11.05 4 27.0 18.1
58 1 7 -1 22.612 45.223 0.25 10.96 4 93.0 212.2
59 1 5 -2 22.654 45.308 0.25 10.92 4 6.1 0.9
60 2 2 1 22.837 45.673 0.252 10.72 4 61.3 90.4
61 1 3 2 23.074 46.147 0.254 10.47 4 32.5 24.7
62 2 2 -2 23.083 46.167 0.254 10.46 4 116.4 317.8
63 2 5 0 23.244 46.488 0.256 10.3 4 61.5 87.3
64 2 5 -1 23.325 46.651 0.257 10.22 4 25.3 14.6
65 2 3 1 23.736 47.472 0.261 9.82 4 25.4 14.2
66 2 3 -2 23.975 47.951 0.264 9.6 4 39.4 33.4
67 0 8 1 24.178 48.355 0.266 9.42 4 52.9 59.1
68 1 7 1 24.249 48.498 0.267 9.36 4 106.3 236.9
69 1 4 2 24.316 48.632 0.267 9.3 4 12.5 3.3
70 0 6 2 24.318 48.637 0.267 9.3 4 55.9 65.0
71 1 8 0 24.392 48.785 0.268 9.23 4 34.0 23.9
72 1 6 -2 24.61 49.22 0.27 9.05 4 53.8 58.7
73 2 4 1 24.953 49.906 0.274 8.77 4 22.6 10.0
74 2 6 0 25.165 50.33 0.276 8.6 4 74.8 107.8
75 2 4 -2 25.184 50.367 0.276 8.59 4 72.7 101.7
76 2 6 -1 25.242 50.483 0.277 8.54 4 8.9 1.5
77 1 8 -1 25.254 50.508 0.277 8.53 4 12.7 3.1
78 1 5 2 25.846 51.693 0.283 8.09 4 2.3 0.1
79 1 1 -3 26.035 52.07 0.285 7.96 4 77.2 106.3
80 2 5 1 26.457 52.913 0.289 7.67 4 34.8 20.8
81 0 7 2 26.509 53.017 0.29 7.64 4 34.6 20.5
82 0 1 3 26.511 53.021 0.29 7.64 4 60.0 61.6
83 1 2 -3 26.529 53.057 0.29 7.63 4 5.8 0.6
84 2 5 -2 26.678 53.356 0.291 7.53 4 38.6 25.1
85 1 8 1 26.77 53.539 0.292 7.47 4 4.7 0.4
86 1 7 -2 26.783 53.566 0.292 7.46 4 42.1 29.6
87 0 2 3 26.998 53.996 0.295 7.33 4 3.5 0.2
88 0 9 1 27.027 54.054 0.295 7.31 4 63.1 65.1
89 1 9 0 27.225 54.451 0.297 7.19 4 25.4 10.4
90 2 7 0 27.306 54.612 0.298 7.14 4 53.2 45.3
91 1 3 -3 27.337 54.674 0.298 7.12 4 63.6 64.6
92 2 7 -1 27.379 54.757 0.299 7.1 4 5.5 0.5
93 3 1 -1 27.633 55.266 0.301 6.95 4 70.6 77.7
94 1 6 2 27.634 55.268 0.301 6.95 4 35.9 20.1
95 0 3 3 27.797 55.594 0.303 6.86 4 93.2 133.4
96 1 9 -1 28.024 56.049 0.305 6.73 4 24.8 9.3
97 3 2 -1 28.107 56.214 0.306 6.69 4 44.3 29.4
98 3 0 0 28.127 56.253 0.306 6.68 2 70.0 36.6
99 2 6 1 28.217 56.435 0.307 6.63 4 4.8 0.3
100 3 1 0 28.283 56.567 0.308 6.59 4 37.8 21.1
101 2 6 -2 28.429 56.859 0.309 6.52 4 56.7 47.0
102 1 4 -3 28.442 56.885 0.309 6.51 4 53.5 41.7
103 0 10 0 28.516 57.031 0.31 6.47 2 151.1 165.6
104 2 0 2 28.523 57.046 0.31 6.47 2 209.0 316.4
105 2 1 2 28.678 57.357 0.312 6.39 4 37.0 19.6
106 3 2 0 28.75 57.5 0.312 6.35 4 45.5 29.5
107 3 3 -1 28.886 57.772 0.314 6.29 4 56.5 44.9
108 0 8 2 28.889 57.778 0.314 6.28 4 130.3 239.1
109 0 4 3 28.891 57.782 0.314 6.28 4 8.4 1.0
110 2 1 -3 29.028 58.055 0.315 6.22 4 11.1 1.7
111 2 2 2 29.141 58.283 0.316 6.16 4 55.7 42.8
112 1 8 -2 29.148 58.297 0.316 6.16 4 3.3 0.2
113 1 9 1 29.442 58.883 0.319 6.02 4 95.4 122.8
114 2 2 -3 29.487 58.974 0.32 6.0 4 27.6 10.3
115 3 3 0 29.518 59.036 0.32 5.99 4 12.5 2.1
116 2 8 0 29.644 59.287 0.321 5.93 4 120.7 193.6
117 1 7 2 29.652 59.304 0.321 5.93 4 39.9 21.1
118 2 8 -1 29.712 59.425 0.322 5.9 4 5.5 0.4
119 3 0 -2 29.815 59.631 0.323 5.85 2 46.5 14.2
120 1 5 -3 29.824 59.649 0.323 5.85 4 153.9 310.4
121 2 3 2 29.903 59.805 0.324 5.82 4 12.8 2.1
122 3 4 -1 29.954 59.908 0.324 5.79 4 27.3 9.7
123 3 1 -2 29.966 59.933 0.324 5.79 4 21.2 5.8
124 0 10 1 29.986 59.973 0.324 5.78 4 38.0 18.7
125 1 10 0 30.172 60.344 0.326 5.7 4 16.5 3.5
126 2 7 1 30.21 60.421 0.327 5.68 4 6.8 0.6
127 2 3 -3 30.243 60.486 0.327 5.67 4 5.3 0.4
128 0 5 3 30.26 60.52 0.327 5.66 4 7.9 0.8
129 1 1 3 30.344 60.688 0.328 5.63 4 75.0 70.9
130 2 7 -2 30.414 60.827 0.329 5.6 4 30.6 11.8
131 3 2 -2 30.417 60.834 0.329 5.6 4 21.5 5.8
132 3 4 0 30.572 61.145 0.33 5.54 4 43.0 22.9
133 1 2 3 30.791 61.582 0.332 5.45 4 42.9 22.5
134 1 10 -1 30.922 61.843 0.334 5.4 4 58.1 40.9
135 2 4 2 30.949 61.899 0.334 5.39 4 52.3 33.0
136 3 3 -2 31.159 62.319 0.336 5.31 4 23.3 6.5
137 2 4 -3 31.283 62.566 0.337 5.26 4 14.6 2.5
138 3 5 -1 31.295 62.589 0.337 5.26 4 175.0 360.7
139 0 9 2 31.445 62.889 0.339 5.2 4 4.7 0.3
140 1 6 -3 31.462 62.925 0.339 5.2 4 29.3 10.0
141 1 3 3 31.528 63.057 0.339 5.17 4 87.1 87.9
142 1 9 -2 31.691 63.382 0.341 5.11 4 4.0 0.2
143 3 1 1 31.8 63.6 0.342 5.08 4 56.4 36.1
144 1 8 2 31.881 63.762 0.343 5.05 4 26.6 8.0
145 0 6 3 31.885 63.77 0.343 5.05 4 8.6 0.8
146 3 5 0 31.898 63.796 0.343 5.04 4 8.8 0.9
147 2 9 0 32.163 64.326 0.346 4.95 4 15.8 2.8
148 3 4 -2 32.182 64.365 0.346 4.94 4 41.1 18.7
149 2 9 -1 32.229 64.457 0.346 4.93 4 11.5 1.5
150 3 2 1 32.236 64.471 0.346 4.93 4 4.5 0.2
151 1 10 1 32.261 64.521 0.346 4.92 4 6.4 0.4
152 2 5 2 32.266 64.532 0.347 4.92 4 8.7 0.8
153 2 8 1 32.417 64.833 0.348 4.87 4 13.5 2.0
154 1 4 3 32.545 65.09 0.349 4.83 4 28.0 8.5
155 2 5 -3 32.592 65.184 0.35 4.81 4 8.6 0.8
156 2 8 -2 32.612 65.224 0.35 4.8 4 143.5 221.5
157 3 6 -1 32.891 65.781 0.352 4.72 4 5.6 0.3
158 3 3 1 32.955 65.91 0.353 4.7 4 81.2 69.3
159 0 11 1 33.064 66.128 0.354 4.67 4 17.7 3.3
160 1 11 0 33.24 66.48 0.356 4.61 4 30.0 9.3
161 1 7 -3 33.339 66.678 0.357 4.58 4 68.1 47.7
162 3 5 -2 33.472 66.945 0.358 4.55 4 14.8 2.2
163 3 6 0 33.478 66.956 0.358 4.54 4 34.1 11.8
164 0 7 3 33.749 67.497 0.361 4.47 4 16.1 2.6
165 1 5 3 33.828 67.655 0.361 4.45 4 92.8 85.8
166 2 6 2 33.837 67.674 0.361 4.44 4 89.8 80.3
167 3 4 1 33.949 67.898 0.362 4.41 4 24.4 5.9
168 1 11 -1 33.952 67.904 0.363 4.41 4 75.9 56.9
169 2 6 -3 34.156 68.311 0.364 4.36 4 5.1 0.3
170 0 10 2 34.17 68.339 0.365 4.35 4 122.5 146.3
171 1 9 2 34.308 68.616 0.366 4.32 4 24.9 6.0
172 1 10 -2 34.406 68.812 0.367 4.29 4 49.1 23.2
173 3 7 -1 34.727 69.453 0.37 4.21 4 59.8 33.7
174 2 9 1 34.825 69.649 0.371 4.19 4 34.4 11.1
175 2 10 0 34.859 69.718 0.371 4.18 4 91.6 78.6
176 3 1 -3 34.917 69.835 0.372 4.16 4 32.3 9.7
177 2 10 -1 34.922 69.844 0.372 4.16 4 7.8 0.6
178 0 12 0 34.951 69.902 0.372 4.16 2 72.9 24.8
179 2 9 -2 35.013 70.027 0.372 4.14 4 14.1 1.8
180 3 6 -2 35.016 70.033 0.372 4.14 4 31.4 9.2
181 3 5 1 35.206 70.413 0.374 4.1 4 131.6 158.9
182 1 11 1 35.23 70.461 0.374 4.09 4 64.4 38.0
183 1 0 -4 35.253 70.505 0.375 4.09 2 54.0 13.4
184 3 7 0 35.3 70.599 0.375 4.07 4 0.5 0.0
185 3 2 -3 35.334 70.667 0.375 4.07 4 23.8 5.1
186 1 6 3 35.365 70.729 0.376 4.06 4 20.0 3.6
187 1 1 -4 35.391 70.782 0.376 4.05 4 41.7 15.8
188 1 8 -3 35.441 70.881 0.376 4.04 4 10.2 0.9
189 2 7 2 35.65 71.3 0.378 4.0 4 22.8 4.7
190 1 2 -4 35.805 71.61 0.38 3.96 4 7.7 0.5
191 0 8 3 35.839 71.678 0.38 3.95 4 9.3 0.8
192 2 7 -3 35.961 71.922 0.381 3.93 4 5.4 0.3
193 3 3 -3 36.023 72.045 0.382 3.91 4 116.2 118.4
194 0 12 1 36.276 72.551 0.384 3.86 4 11.5 1.1
195 0 0 4 36.28 72.561 0.384 3.86 2 61.2 16.2
196 0 1 4 36.417 72.834 0.385 3.83 4 15.3 2.0
197 1 12 0 36.444 72.888 0.386 3.83 4 32.8 9.2
198 1 3 -4 36.49 72.98 0.386 3.82 4 53.1 24.1
199 3 6 1 36.718 73.435 0.388 3.77 4 6.1 0.3
200 3 8 -1 36.792 73.585 0.389 3.76 4 14.8 1.8
201 3 7 -2 36.804 73.607 0.389 3.76 4 45.0 17.1
202 0 2 4 36.826 73.653 0.389 3.75 4 94.9 75.7
203 2 1 3 36.904 73.808 0.39 3.74 4 7.8 0.5
204 1 10 2 36.929 73.858 0.39 3.73 4 9.2 0.7
205 3 4 -3 36.979 73.957 0.39 3.72 4 16.0 2.1
206 0 11 2 37.067 74.134 0.391 3.71 4 12.3 1.3
207 1 12 -1 37.128 74.257 0.392 3.7 4 49.8 20.5
208 1 7 3 37.145 74.289 0.392 3.69 4 83.4 57.5
209 2 0 -4 37.198 74.396 0.392 3.68 2 148.0 90.3
210 1 11 -2 37.295 74.591 0.393 3.67 4 16.3 2.2
211 2 2 3 37.311 74.623 0.393 3.66 4 17.0 2.4
212 2 1 -4 37.334 74.667 0.394 3.66 4 8.7 0.6
213 3 8 0 37.352 74.704 0.394 3.66 4 5.3 0.2
214 2 10 1 37.43 74.861 0.395 3.64 4 18.9 2.9
215 1 4 -4 37.441 74.883 0.395 3.64 4 24.7 5.0
216 0 3 4 37.504 75.009 0.395 3.63 4 39.4 12.6
217 3 0 2 37.604 75.207 0.396 3.61 2 21.4 1.8
218 2 10 -2 37.614 75.228 0.396 3.61 4 73.5 43.6
219 2 8 2 37.695 75.39 0.397 3.6 4 28.9 6.7
220 2 11 0 37.734 75.468 0.397 3.59 4 39.5 12.5
221 3 1 2 37.739 75.477 0.397 3.59 4 48.6 19.0
222 2 2 -4 37.739 75.478 0.397 3.59 4 68.9 38.1
223 1 9 -3 37.76 75.52 0.397 3.58 4 16.1 2.1
224 2 11 -1 37.795 75.59 0.398 3.58 4 52.0 21.7
225 4 1 -1 37.912 75.823 0.399 3.56 4 22.2 3.9
226 2 3 3 37.986 75.973 0.4 3.55 4 13.5 1.4
227 2 8 -3 38.0 75.999 0.4 3.54 4 49.5 19.5
228 3 2 2 38.142 76.285 0.401 3.52 4 37.4 11.0
229 0 9 3 38.149 76.298 0.401 3.52 4 26.9 5.7
230 3 5 -3 38.194 76.389 0.401 3.51 4 75.1 44.3
231 4 2 -1 38.315 76.63 0.402 3.49 4 22.3 3.9
232 1 12 1 38.363 76.726 0.403 3.49 4 0.0 0.0
233 2 3 -4 38.412 76.823 0.403 3.48 4 17.2 2.3
234 0 4 4 38.447 76.894 0.404 3.47 4 52.6 21.5
235 3 7 1 38.474 76.947 0.404 3.47 4 64.4 32.3
236 1 5 -4 38.652 77.305 0.405 3.44 4 24.0 4.4
237 3 3 2 38.813 77.625 0.407 3.42 4 25.3 4.9
238 3 8 -2 38.826 77.652 0.407 3.41 4 24.0 4.4
239 2 4 3 38.925 77.85 0.408 3.4 4 32.0 7.8
240 4 0 0 38.944 77.888 0.408 3.4 2 28.7 3.1
241 4 3 -1 38.984 77.969 0.408 3.39 4 5.7 0.2
242 4 1 0 39.077 78.155 0.409 3.38 4 16.0 1.9
243 3 9 -1 39.082 78.164 0.409 3.38 4 10.9 0.9
244 1 8 3 39.161 78.322 0.41 3.37 4 9.2 0.6
245 4 0 -2 39.185 78.371 0.41 3.36 2 157.2 93.0
246 4 1 -2 39.319 78.637 0.411 3.34 4 8.2 0.5
247 2 4 -4 39.347 78.694 0.412 3.34 4 44.7 14.9
248 4 2 0 39.477 78.954 0.413 3.32 4 102.0 77.4
249 3 9 0 39.631 79.262 0.414 3.3 4 17.5 2.3
250 0 13 1 39.643 79.286 0.414 3.3 4 36.0 9.6
251 0 5 4 39.648 79.296 0.414 3.3 4 24.5 4.4
252 3 6 -3 39.664 79.327 0.414 3.3 4 1.8 0.0
253 4 2 -2 39.718 79.435 0.415 3.29 4 77.1 43.8
254 3 4 2 39.745 79.491 0.415 3.29 4 29.0 6.2
255 1 11 2 39.748 79.497 0.415 3.29 4 40.4 12.0
256 1 13 0 39.807 79.614 0.416 3.28 4 20.8 3.2
257 4 4 -1 39.916 79.832 0.417 3.27 4 18.9 2.6
258 2 9 2 39.968 79.936 0.417 3.26 4 12.7 1.2
259 1 6 -4 40.117 80.234 0.418 3.24 4 30.1 6.6
260 2 5 3 40.122 80.244 0.418 3.24 4 33.0 7.9
261 4 3 0 40.141 80.282 0.418 3.24 4 18.6 2.5
262 0 12 2 40.148 80.297 0.419 3.24 4 35.2 9.0
263 1 0 4 40.196 80.393 0.419 3.23 2 41.3 6.2
264 2 11 1 40.239 80.477 0.419 3.23 4 34.3 8.5
265 2 9 -3 40.267 80.535 0.42 3.22 4 16.8 2.0
266 1 10 -3 40.297 80.594 0.42 3.22 4 36.6 9.7
267 1 1 4 40.329 80.658 0.42 3.21 4 14.8 1.6
268 1 12 -2 40.371 80.743 0.42 3.21 4 6.6 0.3
269 4 3 -2 40.38 80.761 0.421 3.21 4 10.4 0.8
270 2 11 -2 40.418 80.836 0.421 3.2 4 8.6 0.5
271 3 8 1 40.47 80.94 0.421 3.2 4 34.0 8.3
272 1 13 -1 40.473 80.946 0.421 3.2 4 90.9 59.1
273 2 5 -4 40.541 81.082 0.422 3.19 4 10.8 0.8
274 0 10 3 40.679 81.358 0.423 3.17 4 22.4 3.6
275 1 2 4 40.725 81.451 0.424 3.17 4 52.1 19.3
276 2 12 0 40.8 81.6 0.424 3.16 4 44.6 14.1
277 2 12 -1 40.86 81.719 0.425 3.15 4 16.8 2.0
278 3 5 2 40.936 81.873 0.425 3.14 4 15.0 1.6
279 4 4 0 41.066 82.132 0.426 3.13 4 48.6 16.6
280 3 9 -2 41.081 82.163 0.427 3.13 4 11.5 0.9
281 0 6 4 41.103 82.207 0.427 3.13 4 35.6 8.9
282 4 5 -1 41.106 82.211 0.427 3.13 4 34.8 8.5
283 4 4 -2 41.304 82.608 0.428 3.11 4 24.4 4.2
284 3 7 -3 41.383 82.765 0.429 3.1 4 59.2 24.3
285 1 3 4 41.385 82.769 0.429 3.1 4 16.2 1.8
286 1 9 3 41.412 82.824 0.429 3.09 4 28.3 5.6
287 2 6 3 41.574 83.147 0.431 3.08 4 33.8 7.9
288 3 10 -1 41.597 83.194 0.431 3.08 4 21.3 3.1
289 1 13 1 41.679 83.358 0.432 3.07 4 121.9 102.1
290 1 7 -4 41.832 83.663 0.433 3.05 4 8.9 0.5
291 0 14 0 41.94 83.881 0.434 3.04 2 16.6 0.9
292 3 0 -4 41.973 83.946 0.434 3.04 2 12.4 0.5
293 2 6 -4 41.99 83.979 0.434 3.04 4 78.0 41.4
294 3 1 -4 42.104 84.209 0.435 3.03 4 29.6 5.9
295 3 10 0 42.139 84.277 0.436 3.03 4 44.4 13.4
296 4 5 0 42.249 84.499 0.436 3.02 4 29.6 5.9
297 1 4 4 42.304 84.609 0.437 3.01 4 7.0 0.3
298 3 6 2 42.383 84.766 0.438 3.0 4 52.5 18.6
299 2 10 2 42.471 84.943 0.438 3.0 4 98.9 65.7
300 4 5 -2 42.486 84.973 0.438 3.0 4 19.9 2.7
301 3 2 -4 42.498 84.996 0.439 2.99 4 50.7 17.2
302 4 6 -1 42.551 85.102 0.439 2.99 4 9.2 0.6
303 3 9 1 42.706 85.412 0.44 2.98 4 26.2 4.6
304 4 1 1 42.761 85.522 0.441 2.97 4 29.9 5.9
305 2 10 -3 42.768 85.536 0.441 2.97 4 36.4 8.8
306 1 12 2 42.779 85.558 0.441 2.97 4 29.7 5.9
307 0 7 4 42.811 85.622 0.441 2.97 4 35.1 8.2
308 1 11 -3 43.059 86.117 0.443 2.95 4 75.7 37.9
309 3 3 -4 43.153 86.305 0.444 2.94 4 9.4 0.6
310 4 2 1 43.154 86.307 0.444 2.94 4 18.4 2.2
311 0 14 1 43.199 86.398 0.444 2.94 4 8.6 0.5
312 4 1 -3 43.234 86.469 0.445 2.94 4 6.7 0.3
313 2 12 1 43.263 86.525 0.445 2.93 4 33.6 7.4
314 2 7 3 43.278 86.557 0.445 2.93 4 2.8 0.1
315 3 8 -3 43.35 86.7 0.446 2.93 4 6.0 0.2
316 1 14 0 43.36 86.72 0.446 2.93 4 2.4 0.0
317 0 13 2 43.435 86.87 0.446 2.92 4 48.9 15.6
318 0 11 3 43.437 86.874 0.446 2.92 4 59.4 23.1
319 2 12 -2 43.44 86.88 0.446 2.92 4 39.6 10.3
320 1 5 4 43.483 86.966 0.447 2.92 4 3.5 0.1
321 3 10 -2 43.574 87.148 0.447 2.91 4 23.5 3.6
322 4 2 -3 43.627 87.254 0.448 2.91 4 1.1 0.0
323 1 13 -2 43.655 87.311 0.448 2.91 4 3.8 0.1
324 4 6 0 43.689 87.379 0.448 2.9 4 38.2 9.5
325 2 7 -4 43.692 87.385 0.448 2.9 4 35.3 8.1
326 1 8 -4 43.796 87.593 0.449 2.9 4 11.6 0.9
327 4 3 1 43.807 87.615 0.449 2.9 4 52.2 17.7
328 1 10 3 43.902 87.804 0.45 2.89 4 33.0 7.0
329 4 6 -2 43.926 87.852 0.45 2.89 4 63.0 25.7
330 1 14 -1 44.017 88.034 0.451 2.88 4 37.3 9.0
331 3 4 -4 44.068 88.136 0.451 2.88 4 28.4 5.2
332 2 13 0 44.079 88.159 0.452 2.88 4 47.0 14.3
333 3 7 2 44.084 88.168 0.452 2.88 4 13.7 1.2
334 2 13 -1 44.139 88.277 0.452 2.88 4 23.4 3.5
335 4 7 -1 44.252 88.503 0.453 2.87 4 10.6 0.7
336 4 3 -3 44.28 88.56 0.453 2.87 4 35.8 8.2
337 3 11 -1 44.347 88.695 0.454 2.86 4 68.9 30.5
338 4 4 1 44.722 89.444 0.457 2.84 4 17.0 1.8
339 0 8 4 44.772 89.543 0.457 2.84 4 113.7 82.2
340 3 11 0 44.886 89.771 0.458 2.83 4 13.1 1.1
341 1 6 4 44.92 89.84 0.458 2.83 4 48.1 14.7
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 2 0 5.479 10.958 8.0675 779.5 41.5 42.2 5.6
2 0 1 1 8.943 17.885 4.95526 381.0 20.3 20.5 5.6
3 1 0 0 9.041 18.082 4.90187 103.9 5.5 5.6 5.6
4 1 1 0 9.453 18.905 4.6902 351.1 18.7 18.9 5.6
5 0 2 1 10.141 20.282 4.37483 97.8 5.2 5.3 5.6
6 1 2 0 10.595 21.191 4.18919 244.1 13.0 13.1 5.6
7 0 4 0 11.009 22.017 4.03375 72.1 3.8 3.9 5.6
8 1 1 -1 11.305 22.61 3.9293 628.4 33.5 33.7 5.6
9 1 2 -1 12.284 24.568 3.62041 362.8 19.3 19.4 5.6
10 1 3 -1 13.771 27.542 3.23595 916.7 48.8 49.0 5.6
11 0 4 1 13.978 27.957 3.18881 73.6 3.9 3.9 5.6
12 1 1 1 14.092 28.184 3.1636 77.7 4.1 4.2 5.6
13 1 4 0 14.318 28.636 3.11474 40.5 2.2 2.2 5.6
14 1 3 1 16.166 32.332 2.76664 1877.4 100.0 100.0 5.6
15 0 5 1 16.309 32.619 2.74294 264.6 14.1 14.1 5.6
16 0 6 0 16.645 33.29 2.68917 151.5 8.1 8.1 5.6
17 0 0 2 17.21 34.419 2.60345 359.7 19.2 19.1 5.7
18 1 0 -2 17.595 35.19 2.54817 163.6 8.7 8.7 5.7
19 1 5 -1 17.768 35.537 2.52412 817.9 43.6 43.4 5.7
20 0 2 2 18.113 36.226 2.47763 287.0 15.3 15.2 5.7
21 2 0 0 18.317 36.635 2.45094 120.1 6.4 6.4 5.7
22 1 2 -2 18.482 36.964 2.42985 273.9 14.6 14.5 5.7
23 2 1 0 18.535 37.07 2.42314 23.1 1.2 1.2 5.7
24 2 1 -1 18.633 37.266 2.41088 73.5 3.9 3.9 5.7
25 0 6 1 18.807 37.614 2.38932 23.7 1.3 1.3 5.7
26 1 6 0 19.069 38.138 2.35768 135.4 7.2 7.2 5.7
27 2 2 0 19.176 38.351 2.3451 341.2 18.2 18.1 5.7
28 2 2 -1 19.271 38.541 2.33398 38.4 2.0 2.0 5.7
29 1 3 -2 19.542 39.084 2.30279 38.5 2.0 2.0 5.7
30 1 6 -1 20.108 40.217 2.2405 83.4 4.4 4.4 5.7
31 2 3 0 20.205 40.409 2.23027 53.5 2.9 2.8 5.7
32 2 3 -1 20.296 40.591 2.2207 274.8 14.6 14.5 5.7
33 0 4 2 20.618 41.237 2.18741 113.2 6.0 6.0 5.7
34 1 4 -2 20.95 41.9 2.15432 22.3 1.2 1.2 5.7
35 2 4 0 21.577 43.153 2.0946 179.8 9.6 9.5 5.7
36 1 7 0 21.671 43.342 2.0859 109.3 5.8 5.8 5.7
37 1 2 2 22.154 44.308 2.04266 19.5 1.0 1.0 5.7
38 0 5 2 22.343 44.686 2.02624 128.2 6.8 6.7 5.7
39 1 7 -1 22.612 45.223 2.00343 212.2 11.3 11.2 5.7
40 2 2 1 22.837 45.673 1.98471 90.4 4.8 4.7 5.7
41 2 2 -2 23.083 46.167 1.96465 342.5 18.2 18.0 5.7
42 2 5 0 23.244 46.488 1.9518 87.3 4.7 4.6 5.7
43 2 3 -2 23.975 47.951 1.89564 33.4 1.8 1.8 5.7
44 0 8 1 24.178 48.355 1.88071 59.1 3.1 3.1 5.7
45 1 7 1 24.249 48.498 1.8755 236.9 12.6 12.4 5.7
46 0 6 2 24.318 48.637 1.87049 68.3 3.6 3.6 5.7
47 1 8 0 24.392 48.785 1.86517 23.9 1.3 1.3 5.7
48 1 6 -2 24.61 49.22 1.84967 58.7 3.1 3.1 5.7
49 2 6 0 25.165 50.33 1.81145 209.6 11.2 11.0 5.8
50 1 1 -3 26.035 52.07 1.75493 106.3 5.7 5.5 5.8
51 2 5 1 26.457 52.913 1.72895 20.8 1.1 1.1 5.8
52 0 1 3 26.511 53.021 1.72568 82.7 4.4 4.3 5.8
53 2 5 -2 26.678 53.356 1.71564 25.1 1.3 1.3 5.8
54 1 7 -2 26.783 53.566 1.7094 29.6 1.6 1.5 5.8
55 0 9 1 27.027 54.054 1.69511 65.1 3.5 3.4 5.8
56 2 7 0 27.306 54.612 1.6791 45.3 2.4 2.4 5.8
57 1 3 -3 27.337 54.674 1.67736 64.6 3.4 3.4 5.8
58 3 1 -1 27.633 55.266 1.66077 97.8 5.2 5.1 5.8
59 0 3 3 27.797 55.594 1.65175 133.4 7.1 6.9 5.8
60 3 0 0 28.127 56.253 1.63396 66.1 3.5 3.4 5.8
61 3 1 0 28.283 56.567 1.62564 21.1 1.1 1.1 5.8
62 2 6 -2 28.429 56.859 1.61797 88.6 4.7 4.6 5.8
63 2 0 2 28.523 57.046 1.61311 481.9 25.7 25.0 5.8
64 2 1 2 28.678 57.357 1.60511 19.6 1.0 1.0 5.8
65 3 2 0 28.75 57.5 1.60144 29.5 1.6 1.5 5.8
66 0 8 2 28.889 57.778 1.5944 285.0 15.2 14.8 5.8
67 2 2 2 29.141 58.283 1.5818 43.0 2.3 2.2 5.8
68 1 9 1 29.442 58.883 1.56708 122.8 6.5 6.3 5.8
69 2 8 0 29.644 59.287 1.55737 214.7 11.4 11.1 5.8
70 1 5 -3 29.824 59.649 1.54879 324.6 17.3 16.8 5.8
71 1 1 3 30.344 60.688 1.52474 70.9 3.8 3.7 5.8
72 3 4 0 30.572 61.145 1.51443 22.9 1.2 1.2 5.8
73 1 2 3 30.791 61.582 1.50472 22.5 1.2 1.2 5.8
74 1 10 -1 30.922 61.843 1.49899 73.9 3.9 3.8 5.8
75 3 5 -1 31.295 62.589 1.48291 363.2 19.3 18.7 5.8
76 1 3 3 31.528 63.057 1.47303 87.9 4.7 4.5 5.9
77 3 1 1 31.8 63.6 1.46176 36.1 1.9 1.9 5.9
78 3 4 -2 32.182 64.365 1.44622 21.5 1.1 1.1 5.9
79 2 8 -2 32.612 65.224 1.42923 221.5 11.8 11.3 5.9
80 3 3 1 32.955 65.91 1.41601 69.3 3.7 3.5 5.9
81 1 7 -3 33.339 66.678 1.40156 47.7 2.5 2.4 5.9
82 1 5 3 33.828 67.655 1.38366 166.0 8.8 8.5 5.9
83 1 11 -1 33.952 67.904 1.3792 62.7 3.3 3.2 5.9
84 0 10 2 34.17 68.339 1.37147 146.3 7.8 7.4 5.9
85 1 10 -2 34.406 68.812 1.3632 23.2 1.2 1.2 5.9
86 3 7 -1 34.727 69.453 1.35217 33.7 1.8 1.7 5.9
87 2 10 0 34.859 69.718 1.34768 78.6 4.2 4.0 5.9
88 0 12 0 34.951 69.902 1.34458 24.8 1.3 1.3 5.9
89 3 5 1 35.206 70.413 1.33608 197.0 10.5 10.0 5.9
90 1 1 -4 35.391 70.782 1.33001 19.4 1.0 1.0 5.9
91 3 3 -3 36.023 72.045 1.30977 118.4 6.3 6.0 5.9
92 1 3 -4 36.49 72.98 1.29527 24.1 1.3 1.2 6.0
93 0 2 4 36.826 73.653 1.2851 94.6 5.0 4.8 6.0
94 1 7 3 37.145 74.289 1.27566 78.0 4.2 3.9 6.0
95 2 0 -4 37.198 74.396 1.27409 90.3 4.8 4.5 6.0
96 2 10 -2 37.614 75.228 1.26206 45.5 2.4 2.3 6.0
97 2 2 -4 37.739 75.478 1.25849 71.7 3.8 3.6 6.0
98 2 11 -1 37.795 75.59 1.25691 21.7 1.2 1.1 6.0
99 2 8 -3 38.0 75.999 1.25115 20.9 1.1 1.0 6.0
100 3 5 -3 38.194 76.389 1.24574 44.3 2.4 2.2 6.0
101 3 7 1 38.474 76.947 1.23808 53.7 2.9 2.7 6.0
102 4 0 -2 39.185 78.371 1.21912 93.0 5.0 4.6 6.0
103 4 2 0 39.477 78.954 1.21157 77.4 4.1 3.9 6.0
104 4 2 -2 39.718 79.435 1.20544 50.0 2.7 2.5 6.0
105 2 5 3 40.122 80.244 1.19531 25.9 1.4 1.3 6.0
106 1 13 -1 40.473 80.946 1.18671 67.4 3.6 3.3 6.1
107 1 2 4 40.725 81.451 1.18062 19.3 1.0 1.0 6.1
108 3 7 -3 41.383 82.765 1.16518 31.7 1.7 1.6 6.1
109 1 13 1 41.679 83.358 1.15839 102.1 5.4 5.0 6.1
110 2 6 -4 41.99 83.979 1.1514 41.4 2.2 2.0 6.1
111 2 10 2 42.471 84.943 1.14078 85.6 4.6 4.2 6.1
112 2 10 -3 42.768 85.536 1.13439 20.6 1.1 1.0 6.1
113 1 11 -3 43.059 86.117 1.12821 37.9 2.0 1.9 6.1
114 0 11 3 43.437 86.874 1.12032 49.0 2.6 2.4 6.1
115 4 6 -2 43.926 87.852 1.11035 32.7 1.7 1.6 6.2
116 2 13 0 44.079 88.159 1.10727 20.7 1.1 1.0 6.2
117 3 11 -1 44.347 88.695 1.10197 30.5 1.6 1.5 6.2
118 0 8 4 44.772 89.543 1.09371 82.2 4.4 4.0 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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