Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
LINDGRENITE
1, f-lindgrenite
2[CuMoO(4)].Cu(OH)(2)
Monoclinic P 2(1)/n Z = 2
P2(1)/n
8 .4 .1988
Ref.Str.:
Calvert L.D., Barnes W.H. (1957)
* Canad. Mineral., 6, 31-51
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.61 alpha = 90.0
b = 14.03 beta = 98.38
c = 5.4 gamma = 90.0
Unit cell volume (cub. angs.) = 420.49
Molar volume ( cub.cm/mol.) = 126.64
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 0.4885 0.0942 0.8642 0.0 Cu = 1.00
3 0.8769 0.1544 0.4552 0.0 Mo = 1.00
4 0.432 0.221 0.977 0.0 O = 1.00
5 0.096 0.094 0.642 0.0 O = 1.00
6 0.6 0.13 0.554 0.0 O = 1.00
7 0.866 0.112 0.149 0.0 O = 1.00
8 0.341 0.031 0.123 0.0 OH = 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 0.4885 0.0942 0.8642
3 3 0.8769 0.1544 0.4552
4 4 0.432 0.221 0.977
5 5 0.096 0.094 0.642
6 6 0.6 0.13 0.554
7 7 0.866 0.112 0.149
8 8 0.341 0.031 0.123
9 2 0.5115 0.9058 0.1358
10 3 0.1231 0.8456 0.5448
11 4 0.568 0.779 0.023
12 5 0.904 0.906 0.358
13 6 0.4 0.87 0.446
14 7 0.134 0.888 0.851
15 8 0.659 0.969 0.877
16 1 0.5 0.5 0.5
17 2 0.9885 0.4058 0.3642
18 3 0.3769 0.3456 0.9552
19 4 0.932 0.279 0.477
20 5 0.596 0.406 0.142
21 6 0.1 0.37 0.054
22 7 0.366 0.388 0.649
23 8 0.841 0.469 0.623
24 2 0.0115 0.5942 0.6358
25 3 0.6231 0.6544 0.0448
26 4 0.068 0.721 0.523
27 5 0.404 0.594 0.858
28 6 0.9 0.63 0.946
29 7 0.634 0.612 0.351
30 8 0.159 0.531 0.377
X-ray density (g/cm cub.) = 4.3
MU (1/cm) = 339.767 Mass attenuation coefficient (cm**2/g) = 79.028
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.856 6
2.4637 5
1.9642 7
1.9798 8
2.4637 5
1.9642 7
1.9798 8
2 Cu 2.856 6
1.9216 4
2.3491 5
1.9377 6
2.442 7
1.9393 8
1.9965 8
3 Mo 2.496 4
1.6985 5
1.7483 6
1.7499 7
1.7762 4
4 O 3.312 7
3.0011 5
2.8919 6
2.9104 7
2.847 8
2.8528 5
2.8701 6
2.9279 7
5 O 3.312 9
3.0011 4
2.9777 6
2.7997 6
3.2022 7
2.7955 7
2.8942 8
3.1603 5
3.0987 7
2.8528 4
6 O 3.312 7
2.8919 4
2.7997 5
2.9777 5
2.8328 7
2.9106 8
2.8436 8
2.8701 4
7 O 3.312 9
2.9104 4
2.7955 5
3.2022 5
2.8328 6
2.9191 8
3.1409 8
3.0987 5
2.6522 8
2.9279 4
8 OH 3.36 8
2.847 4
2.8942 5
2.9106 6
3.1409 7
2.9191 7
2.8436 6
2.6522 7
2.5288 8
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 6.304 12.608 0.071 162.91 2 48.7 436.6
2 1 1 0 8.584 17.167 0.097 86.84 4 27.2 145.6
3 0 1 1 8.875 17.75 0.1 81.09 4 28.4 147.7
4 1 2 0 10.193 20.387 0.115 60.95 4 100.9 1403.4
5 0 2 1 10.442 20.883 0.118 57.98 4 32.7 140.5
6 1 0 -1 10.66 21.32 0.12 55.54 2 180.2 2039.6
7 1 1 -1 11.125 22.251 0.125 50.82 4 24.0 66.1
8 1 0 1 12.369 24.738 0.139 40.72 2 90.5 377.6
9 1 2 -1 12.422 24.845 0.14 40.35 4 85.9 673.2
10 1 3 0 12.438 24.876 0.14 40.24 4 27.9 71.1
11 0 3 1 12.644 25.289 0.142 38.87 4 188.2 3114.4
12 0 4 0 12.686 25.372 0.143 38.6 2 159.8 1115.2
13 1 1 1 12.775 25.551 0.144 38.04 4 165.6 2359.4
14 1 2 1 13.928 27.857 0.156 31.68 4 51.3 188.7
15 1 3 -1 14.34 28.681 0.161 29.77 4 53.5 193.0
16 1 4 0 15.058 30.115 0.169 26.82 4 83.7 425.6
17 0 4 1 15.231 30.462 0.171 26.17 4 68.1 274.3
18 1 3 1 15.677 31.353 0.175 24.6 4 84.8 400.5
19 2 0 0 16.115 32.231 0.18 23.18 2 164.1 705.7
20 2 1 0 16.436 32.873 0.184 22.21 4 127.6 818.4
21 1 4 -1 16.686 33.373 0.186 21.49 4 167.9 1370.8
22 0 0 2 16.76 33.521 0.187 21.29 2 177.9 762.4
23 0 1 2 17.07 34.141 0.191 20.46 4 75.3 262.5
24 2 2 0 17.368 34.735 0.194 19.7 4 60.1 160.9
25 2 1 -1 17.376 34.752 0.194 19.68 4 22.3 22.2
26 1 1 -2 17.831 35.662 0.199 18.6 4 115.0 556.1
27 1 4 1 17.865 35.73 0.199 18.52 4 72.0 217.2
28 1 5 0 17.915 35.829 0.2 18.41 4 106.4 471.3
29 0 2 2 17.973 35.946 0.2 18.28 4 22.2 20.4
30 0 5 1 18.064 36.127 0.201 18.08 4 9.7 3.8
31 2 2 -1 18.265 36.53 0.203 17.64 4 129.3 667.3
32 1 2 -2 18.702 37.403 0.208 16.75 4 132.0 660.5
33 2 3 0 18.83 37.66 0.21 16.5 4 24.9 23.2
34 0 6 0 19.233 38.466 0.214 15.74 2 49.6 43.7
35 1 5 -1 19.331 38.661 0.215 15.57 4 46.8 77.2
36 0 3 2 19.396 38.791 0.216 15.45 4 40.6 57.6
37 2 1 1 19.599 39.198 0.218 15.1 4 136.2 634.0
38 2 3 -1 19.67 39.34 0.218 14.98 4 67.8 155.6
39 1 1 2 20.011 40.021 0.222 14.42 4 49.0 78.4
40 1 3 -2 20.08 40.161 0.223 14.31 4 26.8 23.2
41 1 5 1 20.377 40.754 0.226 13.85 4 103.8 337.7
42 2 2 1 20.405 40.81 0.226 13.81 4 21.9 15.0
43 2 4 0 20.729 41.457 0.23 13.33 4 26.4 21.0
44 1 2 2 20.803 41.607 0.231 13.22 4 20.8 12.9
45 1 6 0 20.944 41.888 0.232 13.02 4 80.9 192.7
46 0 6 1 21.075 42.15 0.233 12.84 4 20.5 12.2
47 0 4 2 21.252 42.504 0.235 12.61 4 16.4 7.7
48 2 4 -1 21.506 43.013 0.238 12.27 4 41.0 46.8
49 2 3 1 21.693 43.386 0.24 12.04 4 5.8 0.9
50 2 0 -2 21.713 43.427 0.24 12.01 2 128.0 222.5
51 1 4 -2 21.888 43.777 0.242 11.8 4 54.7 79.8
52 2 1 -2 21.963 43.927 0.243 11.71 4 36.9 36.1
53 1 3 2 22.073 44.145 0.244 11.58 4 8.3 1.8
54 1 6 -1 22.197 44.395 0.245 11.43 4 38.7 38.6
55 2 2 -2 22.7 45.401 0.251 10.87 4 9.4 2.2
56 2 5 0 22.979 45.957 0.253 10.57 4 90.2 194.8
57 1 6 1 23.137 46.274 0.255 10.41 4 33.7 26.8
58 2 4 1 23.4 46.8 0.258 10.15 4 145.4 485.3
59 0 5 2 23.462 46.923 0.258 10.09 4 47.5 51.5
60 2 5 -1 23.697 47.395 0.261 9.86 4 14.2 4.5
61 1 4 2 23.758 47.517 0.262 9.8 4 139.9 433.8
62 2 3 -2 23.889 47.778 0.263 9.68 4 78.3 134.1
63 1 5 -2 24.052 48.104 0.265 9.53 4 68.0 99.9
64 1 7 0 24.117 48.235 0.265 9.47 4 160.7 553.8
65 0 7 1 24.235 48.469 0.266 9.37 4 108.1 247.5
66 3 1 0 24.832 49.665 0.273 8.86 4 66.6 89.0
67 3 0 -1 24.853 49.706 0.273 8.85 2 6.3 0.4
68 3 1 -1 25.079 50.158 0.275 8.67 4 80.7 127.6
69 1 7 -1 25.247 50.494 0.277 8.54 4 103.7 207.5
70 2 0 2 25.367 50.733 0.278 8.45 2 23.9 5.5
71 2 5 1 25.464 50.929 0.279 8.37 4 8.9 1.5
72 2 4 -2 25.482 50.965 0.279 8.36 4 15.8 4.7
73 3 2 0 25.505 51.011 0.28 8.34 4 66.5 83.5
74 2 6 0 25.516 51.033 0.28 8.33 4 44.5 37.4
75 2 1 2 25.589 51.178 0.28 8.28 4 130.1 317.1
76 3 2 -1 25.747 51.494 0.282 8.16 4 11.1 2.3
77 1 0 -3 25.759 51.518 0.282 8.16 2 3.8 0.1
78 1 5 2 25.801 51.602 0.283 8.13 4 17.1 5.4
79 0 1 3 25.85 51.701 0.283 8.09 4 74.8 102.3
80 0 6 2 25.964 51.927 0.284 8.01 4 141.8 364.4
81 1 1 -3 25.979 51.958 0.284 8.0 4 27.3 13.5
82 0 8 0 26.054 52.108 0.285 7.95 2 88.3 70.1
83 1 7 1 26.103 52.205 0.286 7.91 4 2.1 0.1
84 2 6 -1 26.182 52.365 0.286 7.86 4 63.8 72.3
85 2 2 2 26.248 52.496 0.287 7.81 4 59.4 62.3
86 0 2 3 26.505 53.009 0.29 7.64 4 23.0 9.2
87 1 6 -2 26.512 53.025 0.29 7.64 4 67.0 77.4
88 3 3 0 26.6 53.199 0.291 7.58 4 155.8 416.0
89 1 2 -3 26.631 53.262 0.291 7.56 4 140.1 335.9
90 3 3 -1 26.834 53.669 0.293 7.43 4 42.2 29.9
91 2 3 2 27.321 54.643 0.298 7.13 4 77.3 96.4
92 3 0 1 27.39 54.78 0.299 7.09 2 111.2 99.3
93 1 8 0 27.427 54.855 0.299 7.07 4 82.0 107.6
94 2 5 -2 27.431 54.862 0.299 7.07 4 97.0 150.5
95 0 8 1 27.534 55.069 0.3 7.01 4 111.7 197.7
96 0 3 3 27.571 55.142 0.3 6.99 4 123.7 241.9
97 3 1 1 27.601 55.202 0.301 6.97 4 102.4 165.3
98 1 3 -3 27.694 55.388 0.302 6.92 4 36.1 20.4
99 2 6 1 27.835 55.669 0.303 6.84 4 15.6 3.8
100 3 4 0 28.081 56.163 0.306 6.7 4 69.1 72.3
101 1 6 2 28.151 56.303 0.306 6.66 4 16.7 4.2
102 3 2 1 28.227 56.454 0.307 6.62 4 9.2 1.3
103 1 0 3 28.238 56.477 0.307 6.62 2 113.2 95.9
104 3 1 -2 28.284 56.568 0.308 6.59 4 30.9 14.3
105 2 7 0 28.299 56.598 0.308 6.58 4 60.3 54.2
106 3 4 -1 28.308 56.616 0.308 6.58 4 77.2 88.7
107 1 1 3 28.445 56.89 0.309 6.51 4 145.9 313.7
108 1 8 -1 28.462 56.925 0.309 6.5 4 41.3 25.1
109 0 7 2 28.716 57.433 0.312 6.37 4 23.7 8.1
110 2 4 2 28.778 57.556 0.312 6.34 4 116.8 195.5
111 2 1 -3 28.805 57.611 0.313 6.33 4 75.7 82.0
112 3 2 -2 28.901 57.801 0.314 6.28 4 178.2 451.2
113 2 7 -1 28.921 57.842 0.314 6.27 4 39.0 21.5
114 0 4 3 29.02 58.039 0.315 6.22 4 76.3 82.0
115 1 2 3 29.059 58.118 0.315 6.2 4 77.3 83.8
116 1 4 -3 29.138 58.277 0.316 6.16 4 68.3 65.1
117 1 7 -2 29.23 58.46 0.317 6.12 4 130.4 235.5
118 3 3 1 29.251 58.503 0.317 6.11 4 64.9 58.3
119 1 8 1 29.253 58.506 0.317 6.11 4 54.1 40.5
120 2 2 -3 29.415 58.83 0.319 6.03 4 145.4 288.7
121 2 6 -2 29.694 59.388 0.322 5.91 4 79.9 85.4
122 3 3 -2 29.91 59.82 0.324 5.81 4 71.8 67.8
123 3 5 0 29.915 59.829 0.324 5.81 4 126.0 208.6
124 1 3 3 30.065 60.131 0.325 5.75 4 69.5 62.7
125 3 5 -1 30.132 60.265 0.326 5.72 4 120.2 186.9
126 2 3 -3 30.414 60.828 0.329 5.6 4 134.4 229.0
127 2 7 1 30.474 60.948 0.329 5.57 4 32.6 13.4
128 2 5 2 30.585 61.17 0.33 5.53 4 52.0 33.8
129 3 4 1 30.649 61.298 0.331 5.5 4 4.0 0.2
130 1 7 2 30.774 61.547 0.332 5.46 4 65.6 53.1
131 0 5 3 30.818 61.635 0.333 5.44 4 106.0 138.1
132 1 9 0 30.88 61.76 0.333 5.41 4 66.2 53.7
133 1 5 -3 30.932 61.865 0.334 5.39 4 0.8 0.0
134 0 9 1 30.979 61.959 0.334 5.38 4 159.4 308.9
135 3 4 -2 31.29 62.58 0.337 5.26 4 3.2 0.1
136 2 8 0 31.304 62.608 0.337 5.25 4 46.1 25.3
137 1 4 3 31.441 62.882 0.339 5.2 4 27.2 8.7
138 0 8 2 31.697 63.393 0.341 5.11 4 56.9 37.5
139 2 4 -3 31.781 63.561 0.342 5.08 4 19.1 4.2
140 1 9 -1 31.844 63.688 0.342 5.06 4 90.9 94.5
141 2 8 -1 31.89 63.779 0.343 5.04 4 59.3 40.1
142 3 6 0 32.067 64.134 0.345 4.98 4 57.3 37.0
143 1 8 -2 32.181 64.363 0.346 4.94 4 80.0 71.5
144 2 7 -2 32.239 64.478 0.346 4.93 4 104.7 122.3
145 3 6 -1 32.276 64.553 0.347 4.91 4 162.0 291.6
146 3 5 1 32.393 64.786 0.348 4.88 4 28.1 8.7
147 1 9 1 32.585 65.17 0.35 4.81 4 31.7 10.9
148 2 6 2 32.712 65.424 0.351 4.77 4 18.6 3.7
149 3 1 2 32.868 65.735 0.352 4.73 4 8.8 0.8
150 0 6 3 32.936 65.872 0.353 4.7 4 3.4 0.1
151 3 5 -2 33.015 66.03 0.354 4.68 4 31.1 10.2
152 1 6 -3 33.047 66.094 0.354 4.67 4 97.2 99.8
153 1 5 3 33.162 66.324 0.355 4.64 4 116.5 142.5
154 0 10 0 33.3 66.6 0.356 4.6 2 28.6 4.3
155 2 1 3 33.346 66.691 0.357 4.58 4 56.2 32.8
156 2 8 1 33.362 66.723 0.357 4.58 4 178.2 328.8
157 3 2 2 33.433 66.867 0.358 4.56 4 31.5 10.2
158 2 5 -3 33.492 66.984 0.358 4.54 4 104.0 111.1
159 1 8 2 33.647 67.294 0.36 4.5 4 212.1 457.4
160 3 0 -3 33.707 67.414 0.36 4.48 2 74.0 27.8
161 4 0 0 33.721 67.442 0.36 4.48 2 36.1 6.6
162 4 1 -1 33.75 67.5 0.361 4.47 4 149.6 226.2
163 3 1 -3 33.894 67.787 0.362 4.43 4 82.4 67.9
164 2 2 3 33.907 67.815 0.362 4.42 4 42.6 18.1
165 4 1 0 33.908 67.815 0.362 4.42 4 14.8 2.2
166 4 2 -1 34.309 68.617 0.366 4.32 4 57.9 32.8
167 3 3 2 34.366 68.732 0.366 4.3 4 116.4 131.8
168 3 2 -3 34.451 68.902 0.367 4.28 4 60.7 35.7
169 3 6 1 34.459 68.919 0.367 4.28 4 142.2 195.7
170 4 2 0 34.465 68.93 0.367 4.28 4 91.3 80.6
171 1 10 0 34.492 68.984 0.368 4.27 4 16.3 2.6
172 3 7 0 34.515 69.029 0.368 4.26 4 27.0 7.0
173 2 9 0 34.524 69.047 0.368 4.26 4 67.5 44.0
174 0 10 1 34.586 69.172 0.368 4.25 4 26.6 6.8
175 3 7 -1 34.716 69.433 0.37 4.21 4 68.9 45.3
176 2 3 3 34.834 69.668 0.371 4.18 4 23.3 5.2
177 0 9 2 34.898 69.795 0.371 4.17 4 37.5 13.3
178 2 8 -2 35.048 70.097 0.373 4.13 4 45.6 19.5
179 3 6 -2 35.063 70.127 0.373 4.13 4 73.5 50.5
180 2 9 -1 35.081 70.163 0.373 4.13 4 84.6 66.7
181 2 7 2 35.137 70.273 0.374 4.11 4 6.3 0.4
182 1 1 -4 35.157 70.314 0.374 4.11 4 140.0 182.1
183 1 6 3 35.206 70.412 0.374 4.1 4 25.7 6.1
184 0 0 4 35.221 70.443 0.374 4.09 2 13.7 0.9
185 4 3 -1 35.23 70.461 0.374 4.09 4 70.9 46.5
186 0 7 3 35.353 70.707 0.376 4.06 4 14.8 2.0
187 1 9 -2 35.36 70.72 0.376 4.06 4 65.8 39.8
188 3 3 -3 35.371 70.742 0.376 4.06 4 19.1 3.3
189 4 3 0 35.385 70.77 0.376 4.05 4 10.3 1.0
190 0 1 4 35.404 70.809 0.376 4.05 4 69.4 44.2
191 1 10 -1 35.405 70.809 0.376 4.05 4 51.8 24.6
192 1 7 -3 35.46 70.921 0.377 4.04 4 19.9 3.6
193 2 6 -3 35.527 71.054 0.377 4.02 4 56.1 28.6
194 3 4 2 35.653 71.305 0.378 3.99 4 61.6 34.3
195 1 2 -4 35.706 71.411 0.379 3.98 4 60.8 33.3
196 0 2 4 35.951 71.902 0.381 3.93 4 33.8 10.1
197 4 0 -2 35.951 71.902 0.381 3.93 2 8.2 0.3
198 1 10 1 36.11 72.219 0.383 3.9 4 51.0 23.0
199 2 4 3 36.113 72.226 0.383 3.9 4 46.1 18.7
200 4 1 -2 36.133 72.265 0.383 3.89 4 3.5 0.1
201 2 9 1 36.491 72.981 0.386 3.82 4 60.3 31.4
202 4 4 -1 36.504 73.007 0.386 3.82 4 19.7 3.4
203 4 1 1 36.59 73.181 0.387 3.8 4 116.1 115.8
204 1 3 -4 36.612 73.224 0.387 3.79 4 45.3 17.6
205 3 4 -3 36.642 73.285 0.387 3.79 4 13.6 1.6
206 4 4 0 36.656 73.311 0.388 3.79 4 81.1 56.3
207 4 2 -2 36.675 73.35 0.388 3.78 4 83.0 58.9
208 1 9 2 36.765 73.529 0.389 3.76 4 20.4 3.5
209 3 7 1 36.831 73.661 0.389 3.75 4 12.4 1.3
210 0 3 4 36.855 73.71 0.389 3.75 4 1.8 0.0
211 2 0 -4 37.049 74.099 0.391 3.71 2 82.5 28.6
212 4 2 1 37.13 74.26 0.392 3.7 4 97.3 79.2
213 2 1 -4 37.229 74.458 0.393 3.68 4 39.4 12.9
214 3 8 0 37.243 74.487 0.393 3.67 4 108.7 98.3
215 3 5 2 37.279 74.557 0.393 3.67 4 6.5 0.3
216 3 7 -2 37.418 74.837 0.394 3.64 4 19.7 3.2
217 3 8 -1 37.439 74.878 0.395 3.64 4 30.0 7.4
218 1 7 3 37.557 75.115 0.396 3.62 4 16.1 2.1
219 4 3 -2 37.572 75.145 0.396 3.62 4 97.2 77.3
220 2 5 3 37.732 75.463 0.397 3.59 4 102.7 85.7
221 2 2 -4 37.765 75.53 0.398 3.58 4 32.8 8.7
222 2 8 2 37.847 75.694 0.398 3.57 4 37.4 11.3
223 1 4 -4 37.867 75.733 0.398 3.57 4 17.1 2.4
224 2 7 -3 37.871 75.741 0.398 3.57 4 20.9 3.5
225 1 1 4 37.952 75.904 0.399 3.55 4 69.8 39.1
226 2 10 0 37.967 75.933 0.399 3.55 4 107.7 93.2
227 4 3 1 38.023 76.047 0.4 3.54 4 77.4 48.0
228 0 8 3 38.058 76.115 0.4 3.53 4 127.5 130.1
229 0 4 4 38.107 76.214 0.401 3.53 4 69.5 38.6
230 4 5 -1 38.116 76.232 0.401 3.52 4 9.9 0.8
231 2 9 -2 38.117 76.235 0.401 3.52 4 95.0 72.0
232 1 8 -3 38.162 76.323 0.401 3.52 4 30.1 7.2
233 3 5 -3 38.252 76.505 0.402 3.5 4 117.8 110.1
234 4 5 0 38.266 76.531 0.402 3.5 4 4.2 0.1
235 1 11 0 38.292 76.584 0.402 3.5 4 23.4 4.3
236 0 10 2 38.327 76.654 0.403 3.49 4 57.3 26.0
237 0 11 1 38.382 76.764 0.403 3.48 4 101.0 80.3
238 1 2 4 38.485 76.97 0.404 3.47 4 126.8 126.1
239 2 10 -1 38.504 77.009 0.404 3.46 4 65.8 33.9
240 2 3 -4 38.654 77.307 0.405 3.44 4 10.4 0.8
241 1 10 -2 38.773 77.547 0.407 3.42 4 40.4 12.7
242 4 4 -2 38.816 77.633 0.407 3.42 4 85.1 56.0
243 1 11 -1 39.17 78.34 0.41 3.37 4 52.9 21.3
244 3 6 2 39.233 78.465 0.411 3.36 4 20.3 3.1
245 4 4 1 39.263 78.526 0.411 3.35 4 23.1 4.1
246 1 3 4 39.369 78.737 0.412 3.34 4 64.1 31.0
247 1 5 -4 39.46 78.92 0.413 3.33 4 8.2 0.5
248 3 8 1 39.498 78.995 0.413 3.32 4 35.6 9.5
249 2 6 3 39.679 79.357 0.414 3.3 4 27.4 5.6
250 0 5 4 39.697 79.395 0.415 3.29 4 78.1 45.5
251 1 11 1 39.851 79.701 0.416 3.27 4 58.6 25.4
252 2 10 1 39.869 79.738 0.416 3.27 4 36.6 9.9
253 2 4 -4 39.887 79.774 0.416 3.27 4 20.2 3.0
254 3 0 3 39.987 79.974 0.417 3.26 2 192.9 137.1
255 4 6 -1 40.057 80.114 0.418 3.25 4 24.1 4.2
256 3 8 -2 40.073 80.146 0.418 3.25 4 53.5 21.1
257 1 10 2 40.136 80.271 0.418 3.24 4 4.4 0.1
258 3 1 3 40.162 80.324 0.419 3.23 4 35.5 9.2
259 3 6 -3 40.192 80.384 0.419 3.23 4 11.9 1.0
260 4 6 0 40.205 80.41 0.419 3.23 4 103.0 77.5
261 1 8 3 40.209 80.418 0.419 3.23 4 32.2 7.6
262 3 9 0 40.252 80.504 0.419 3.22 4 30.8 6.9
263 4 5 -2 40.399 80.798 0.421 3.21 4 54.8 21.8
264 3 9 -1 40.443 80.886 0.421 3.2 4 99.2 71.2
265 2 8 -3 40.516 81.033 0.422 3.19 4 10.6 0.8
266 1 4 4 40.596 81.193 0.422 3.18 4 25.7 4.8
267 3 2 3 40.687 81.374 0.423 3.17 4 19.6 2.7
268 4 5 1 40.841 81.682 0.424 3.16 4 0.7 0.0
269 2 9 2 40.842 81.685 0.425 3.16 4 7.2 0.4
270 4 1 -3 40.878 81.757 0.425 3.15 4 41.9 12.5
271 0 9 3 41.049 82.098 0.426 3.13 4 53.4 20.2
272 1 9 -3 41.151 82.302 0.427 3.12 4 16.9 2.0
273 0 12 0 41.211 82.421 0.428 3.12 2 116.3 47.7
274 1 6 -4 41.385 82.769 0.429 3.1 4 46.5 15.2
275 4 2 -3 41.401 82.802 0.429 3.1 4 106.6 79.6
276 4 0 2 41.439 82.878 0.43 3.09 2 105.2 38.7
277 2 10 -2 41.456 82.912 0.43 3.09 4 10.1 0.7
278 2 5 -4 41.46 82.919 0.43 3.09 4 39.6 11.0
279 3 1 -4 41.496 82.993 0.43 3.09 4 100.1 70.0
280 3 7 2 41.508 83.016 0.43 3.09 4 42.5 12.6
281 3 3 3 41.558 83.117 0.431 3.08 4 33.4 7.8
282 4 1 2 41.613 83.225 0.431 3.08 4 21.8 3.3
283 0 6 4 41.62 83.239 0.431 3.07 4 138.2 132.8
284 2 11 0 41.656 83.313 0.431 3.07 4 70.3 34.3
285 2 7 3 41.949 83.897 0.434 3.04 4 130.3 116.9
286 0 11 2 42.008 84.017 0.434 3.04 4 55.8 21.4
287 3 2 -4 42.018 84.036 0.434 3.04 4 91.5 57.5
288 4 2 2 42.134 84.268 0.435 3.03 4 48.4 16.0
289 1 5 4 42.163 84.327 0.436 3.02 4 22.2 3.4
290 2 11 -1 42.182 84.364 0.436 3.02 4 87.4 52.2
291 4 3 -3 42.27 84.54 0.437 3.01 4 8.7 0.5
292 4 6 -2 42.314 84.629 0.437 3.01 4 52.5 18.8
293 1 12 0 42.321 84.643 0.437 3.01 4 58.7 23.5
294 4 7 -1 42.323 84.646 0.437 3.01 4 85.0 49.1
295 0 12 1 42.409 84.818 0.438 3.0 4 49.3 16.5
296 1 11 -2 42.446 84.891 0.438 3.0 4 27.7 5.2
297 3 7 -3 42.456 84.913 0.438 3.0 4 55.0 20.5
298 3 9 1 42.464 84.928 0.438 3.0 4 0.1 0.0
299 4 7 0 42.469 84.938 0.438 3.0 4 13.7 1.3
300 2 0 4 42.495 84.99 0.438 2.99 2 119.1 48.1
301 2 1 4 42.668 85.336 0.44 2.98 4 23.8 3.8
302 4 6 1 42.753 85.506 0.441 2.97 4 34.6 8.1
303 3 4 3 42.773 85.547 0.441 2.97 4 86.2 50.0
304 3 3 -4 42.885 85.77 0.442 2.96 4 15.4 1.6
305 4 3 2 43.001 86.001 0.443 2.95 4 65.0 28.2
306 3 9 -2 43.032 86.063 0.443 2.95 4 38.9 10.1
307 1 9 3 43.166 86.332 0.444 2.94 4 29.7 5.9
308 1 12 -1 43.181 86.362 0.444 2.94 4 59.2 23.3
309 2 2 4 43.188 86.375 0.444 2.94 4 43.6 12.6
310 2 6 -4 43.368 86.735 0.446 2.93 4 174.0 200.5
311 5 0 -1 43.462 86.924 0.447 2.92 2 52.3 9.0
312 2 9 -3 43.47 86.94 0.447 2.92 4 61.4 24.9
313 4 4 -3 43.482 86.965 0.447 2.92 4 1.6 0.0
314 2 11 1 43.523 87.045 0.447 2.92 4 61.1 24.6
315 3 10 0 43.555 87.109 0.447 2.91 4 6.8 0.3
316 5 1 -1 43.635 87.27 0.448 2.91 4 38.0 9.5
317 1 7 -4 43.639 87.278 0.448 2.91 4 83.8 46.2
318 3 10 -1 43.743 87.487 0.449 2.9 4 74.9 36.8
319 1 11 2 43.786 87.571 0.449 2.9 4 48.6 15.5
320 1 12 1 43.85 87.7 0.45 2.89 4 20.9 2.9
321 0 7 4 43.872 87.745 0.45 2.89 4 49.3 15.9
322 2 3 4 44.052 88.104 0.451 2.88 4 32.6 6.9
323 1 6 4 44.068 88.135 0.451 2.88 4 58.2 22.1
324 3 4 -4 44.095 88.191 0.452 2.88 4 47.2 14.5
325 3 8 2 44.107 88.214 0.452 2.88 4 79.5 41.1
326 5 1 0 44.115 88.23 0.452 2.88 4 64.7 27.2
327 2 10 2 44.138 88.276 0.452 2.88 4 58.1 22.0
328 5 2 -1 44.153 88.307 0.452 2.87 4 27.7 5.0
329 4 4 2 44.211 88.422 0.453 2.87 4 116.8 88.7
330 3 5 3 44.33 88.66 0.454 2.86 4 17.2 1.9
331 0 10 3 44.343 88.685 0.454 2.86 4 7.0 0.3
332 1 10 -3 44.444 88.887 0.455 2.86 4 159.5 164.5
333 2 8 3 44.545 89.09 0.455 2.85 4 88.8 50.9
334 4 7 -2 44.563 89.127 0.455 2.85 4 90.9 53.2
335 5 2 0 44.633 89.267 0.456 2.85 4 88.0 49.9
336 4 8 -1 44.917 89.835 0.458 2.83 4 17.0 1.8
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 0 2 0 6.304 12.608 7.015 436.6 14.0 14.1 5.6
2 1 1 0 8.584 17.167 5.16096 145.6 4.7 4.7 5.6
3 0 1 1 8.875 17.75 4.99264 147.7 4.7 4.8 5.6
4 1 2 0 10.193 20.387 4.35257 1403.4 45.1 45.2 5.6
5 0 2 1 10.442 20.883 4.25018 140.5 4.5 4.5 5.6
6 1 0 -1 10.66 21.32 4.1641 2039.6 65.5 65.7 5.6
7 1 1 -1 11.125 22.251 3.99198 66.1 2.1 2.1 5.6
8 1 0 1 12.369 24.738 3.59601 377.6 12.1 12.1 5.6
9 1 2 -1 12.422 24.845 3.58076 744.3 23.9 23.9 5.6
10 0 3 1 12.644 25.289 3.51886 3114.4 100.0 100.0 5.6
11 0 4 0 12.686 25.372 3.5075 1115.2 35.8 35.8 5.6
12 1 1 1 12.775 25.551 3.48341 2359.4 75.8 75.7 5.6
13 1 2 1 13.928 27.857 3.20006 188.7 6.1 6.0 5.6
14 1 3 -1 14.34 28.681 3.10995 193.0 6.2 6.2 5.6
15 1 4 0 15.058 30.115 2.96503 425.6 13.7 13.6 5.6
16 0 4 1 15.231 30.462 2.93204 274.3 8.8 8.8 5.6
17 1 3 1 15.677 31.353 2.8507 400.5 12.9 12.8 5.6
18 2 0 0 16.115 32.231 2.77505 705.7 22.7 22.5 5.6
19 2 1 0 16.436 32.873 2.72231 818.4 26.3 26.1 5.6
20 1 4 -1 16.686 33.373 2.68264 1370.8 44.0 43.7 5.7
21 0 0 2 16.76 33.521 2.67117 762.4 24.5 24.3 5.7
22 0 1 2 17.07 34.141 2.62404 262.5 8.4 8.4 5.7
23 2 2 0 17.368 34.735 2.58048 183.1 5.9 5.8 5.7
24 1 1 -2 17.831 35.662 2.5155 556.1 17.9 17.7 5.7
25 1 4 1 17.865 35.73 2.51089 217.2 7.0 6.9 5.7
26 1 5 0 17.915 35.829 2.50415 471.3 15.1 15.0 5.7
27 2 2 -1 18.265 36.53 2.45772 667.3 21.4 21.2 5.7
28 1 2 -2 18.702 37.403 2.40233 660.5 21.2 21.0 5.7
29 0 6 0 19.233 38.466 2.33833 43.7 1.4 1.4 5.7
30 1 5 -1 19.331 38.661 2.32698 77.2 2.5 2.5 5.7
31 0 3 2 19.396 38.791 2.31949 57.6 1.8 1.8 5.7
32 2 1 1 19.599 39.198 2.29637 634.0 20.4 20.1 5.7
33 2 3 -1 19.67 39.34 2.28842 155.6 5.0 4.9 5.7
34 1 1 2 20.011 40.021 2.251 78.4 2.5 2.5 5.7
35 1 5 1 20.377 40.754 2.21221 352.7 11.3 11.2 5.7
36 1 6 0 20.944 41.888 2.15489 192.7 6.2 6.1 5.7
37 2 4 -1 21.506 43.013 2.10112 46.8 1.5 1.5 5.7
38 2 0 -2 21.713 43.427 2.08205 222.5 7.1 7.0 5.7
39 1 4 -2 21.888 43.777 2.0662 79.8 2.6 2.5 5.7
40 2 1 -2 21.963 43.927 2.05949 36.1 1.2 1.1 5.7
41 1 6 -1 22.197 44.395 2.03886 38.6 1.2 1.2 5.7
42 2 5 0 22.979 45.957 1.97311 194.8 6.3 6.1 5.7
43 2 4 1 23.4 46.8 1.93951 485.3 15.6 15.3 5.7
44 0 5 2 23.462 46.923 1.93471 51.5 1.7 1.6 5.7
45 1 4 2 23.758 47.517 1.91194 433.8 13.9 13.6 5.7
46 2 3 -2 23.889 47.778 1.90207 134.1 4.3 4.2 5.7
47 1 5 -2 24.052 48.104 1.88996 99.9 3.2 3.1 5.7
48 1 7 0 24.117 48.235 1.88513 553.8 17.8 17.4 5.7
49 0 7 1 24.235 48.469 1.87657 247.5 7.9 7.8 5.7
50 3 1 0 24.832 49.665 1.83416 89.4 2.9 2.8 5.7
51 3 1 -1 25.079 50.158 1.81728 127.6 4.1 4.0 5.7
52 1 7 -1 25.247 50.494 1.80598 207.5 6.7 6.5 5.8
53 3 2 0 25.505 51.011 1.78887 127.1 4.1 4.0 5.8
54 2 1 2 25.589 51.178 1.78342 317.1 10.2 9.9 5.8
55 0 1 3 25.85 51.701 1.76661 102.3 3.3 3.2 5.8
56 0 6 2 25.964 51.927 1.75943 377.9 12.1 11.8 5.8
57 0 8 0 26.054 52.108 1.75375 70.1 2.3 2.2 5.8
58 2 6 -1 26.182 52.365 1.74575 72.3 2.3 2.3 5.8
59 2 2 2 26.248 52.496 1.74171 62.3 2.0 1.9 5.8
60 1 6 -2 26.512 53.025 1.72557 86.6 2.8 2.7 5.8
61 3 3 0 26.6 53.199 1.72032 416.0 13.4 13.0 5.8
62 1 2 -3 26.631 53.262 1.71844 335.9 10.8 10.5 5.8
63 2 3 2 27.321 54.643 1.67825 96.4 3.1 3.0 5.8
64 3 0 1 27.39 54.78 1.67435 99.3 3.2 3.1 5.8
65 2 5 -2 27.431 54.862 1.67204 258.1 8.3 8.0 5.8
66 0 8 1 27.534 55.069 1.66627 197.7 6.3 6.2 5.8
67 0 3 3 27.571 55.142 1.66421 241.9 7.8 7.5 5.8
68 3 1 1 27.601 55.202 1.66256 165.3 5.3 5.1 5.8
69 3 4 0 28.081 56.163 1.63636 72.3 2.3 2.3 5.8
70 1 0 3 28.238 56.477 1.62802 97.2 3.1 3.0 5.8
71 3 4 -1 28.308 56.616 1.62434 157.2 5.0 4.9 5.8
72 1 1 3 28.445 56.89 1.61717 338.8 10.9 10.5 5.8
73 2 4 2 28.778 57.556 1.60003 277.6 8.9 8.6 5.8
74 3 2 -2 28.901 57.801 1.59381 472.8 15.2 14.7 5.8
75 0 4 3 29.02 58.039 1.58785 82.0 2.6 2.5 5.8
76 1 2 3 29.059 58.118 1.58587 83.8 2.7 2.6 5.8
77 1 4 -3 29.138 58.277 1.58194 65.1 2.1 2.0 5.8
78 1 7 -2 29.23 58.46 1.57742 334.3 10.7 10.4 5.8
79 2 2 -3 29.415 58.83 1.56838 288.7 9.3 8.9 5.8
80 2 6 -2 29.694 59.388 1.55498 85.4 2.7 2.6 5.8
81 3 5 0 29.915 59.829 1.54454 276.4 8.9 8.6 5.8
82 1 3 3 30.065 60.131 1.53752 62.7 2.0 1.9 5.8
83 3 5 -1 30.132 60.265 1.53442 186.9 6.0 5.8 5.8
84 2 3 -3 30.414 60.828 1.52157 229.0 7.4 7.1 5.8
85 2 5 2 30.585 61.17 1.51388 33.8 1.1 1.0 5.8
86 1 7 2 30.774 61.547 1.50549 53.1 1.7 1.6 5.8
87 0 5 3 30.818 61.635 1.50355 138.1 4.4 4.3 5.8
88 1 9 0 30.88 61.76 1.50081 53.7 1.7 1.7 5.8
89 0 9 1 30.979 61.959 1.49648 308.9 9.9 9.5 5.8
90 0 8 2 31.697 63.393 1.46602 37.5 1.2 1.2 5.9
91 1 9 -1 31.844 63.688 1.45994 94.5 3.0 2.9 5.9
92 2 8 -1 31.89 63.779 1.45808 40.1 1.3 1.2 5.9
93 3 6 0 32.067 64.134 1.45086 37.0 1.2 1.1 5.9
94 1 8 -2 32.181 64.363 1.44626 71.5 2.3 2.2 5.9
95 2 7 -2 32.239 64.478 1.44395 122.3 3.9 3.8 5.9
96 3 6 -1 32.276 64.553 1.44246 291.6 9.4 9.0 5.9
97 1 6 -3 33.047 66.094 1.41252 99.8 3.2 3.1 5.9
98 1 5 3 33.162 66.324 1.40817 142.5 4.6 4.4 5.9
99 2 8 1 33.362 66.723 1.40071 361.6 11.6 11.1 5.9
100 2 5 -3 33.492 66.984 1.39588 111.1 3.6 3.4 5.9
101 1 8 2 33.647 67.294 1.39022 457.4 14.7 14.0 5.9
102 3 0 -3 33.707 67.414 1.38803 34.4 1.1 1.1 5.9
103 4 1 -1 33.75 67.5 1.38646 226.2 7.3 6.9 5.9
104 3 1 -3 33.894 67.787 1.38129 88.3 2.8 2.7 5.9
105 4 2 -1 34.309 68.617 1.36659 32.8 1.1 1.0 5.9
106 3 3 2 34.366 68.732 1.36459 131.8 4.2 4.0 5.9
107 4 2 0 34.465 68.93 1.36116 312.0 10.0 9.5 5.9
108 2 9 0 34.524 69.047 1.35912 53.5 1.7 1.6 5.9
109 3 7 -1 34.716 69.433 1.35252 45.3 1.5 1.4 5.9
110 3 6 -2 35.063 70.127 1.34083 136.6 4.4 4.2 5.9
111 1 1 -4 35.157 70.314 1.33771 182.1 5.8 5.5 5.9
112 4 3 -1 35.23 70.461 1.33528 53.4 1.7 1.6 5.9
113 3 3 -3 35.371 70.742 1.33066 45.1 1.4 1.4 5.9
114 0 1 4 35.404 70.809 1.32958 68.7 2.2 2.1 5.9
115 3 4 2 35.653 71.305 1.32153 34.3 1.1 1.0 5.9
116 1 2 -4 35.706 71.411 1.31983 33.3 1.1 1.0 5.9
117 1 10 1 36.11 72.219 1.30704 41.8 1.3 1.3 5.9
118 2 9 1 36.491 72.981 1.29526 34.8 1.1 1.1 6.0
119 4 1 1 36.59 73.181 1.29222 133.4 4.3 4.0 6.0
120 4 2 -2 36.675 73.35 1.28965 116.8 3.7 3.5 6.0
121 4 2 1 37.13 74.26 1.27609 79.2 2.5 2.4 6.0
122 3 8 0 37.243 74.487 1.27277 111.2 3.6 3.4 6.0
123 4 3 -2 37.572 75.145 1.26325 79.5 2.6 2.4 6.0
124 2 5 3 37.732 75.463 1.2587 85.7 2.8 2.6 6.0
125 2 10 0 37.967 75.933 1.25208 132.3 4.2 4.0 6.0
126 4 3 1 38.023 76.047 1.25049 48.0 1.5 1.4 6.0
127 0 8 3 38.058 76.115 1.24954 130.1 4.2 3.9 6.0
128 2 9 -2 38.117 76.235 1.24787 111.3 3.6 3.3 6.0
129 3 5 -3 38.252 76.505 1.24414 110.2 3.5 3.3 6.0
130 0 11 1 38.382 76.764 1.24059 80.3 2.6 2.4 6.0
131 1 2 4 38.485 76.97 1.23777 160.0 5.1 4.8 6.0
132 4 4 -2 38.816 77.633 1.22886 56.0 1.8 1.7 6.0
133 0 5 4 39.697 79.395 1.20595 51.1 1.6 1.5 6.0
134 1 11 1 39.851 79.701 1.20208 35.3 1.1 1.1 6.0
135 3 0 3 39.987 79.974 1.19867 137.1 4.4 4.1 6.0
136 4 6 0 40.205 80.41 1.19326 85.1 2.7 2.5 6.0
137 3 9 -1 40.443 80.886 1.18743 71.2 2.3 2.1 6.1
138 0 12 0 41.211 82.421 1.16917 47.7 1.5 1.4 6.1
139 4 2 -3 41.401 82.802 1.16475 94.8 3.0 2.8 6.1
140 4 0 2 41.439 82.878 1.16388 50.4 1.6 1.5 6.1
141 3 1 -4 41.496 82.993 1.16256 82.5 2.7 2.4 6.1
142 0 6 4 41.62 83.239 1.15974 136.1 4.4 4.0 6.1
143 2 11 0 41.656 83.313 1.15891 34.3 1.1 1.0 6.1
144 2 7 3 41.949 83.897 1.15232 116.9 3.8 3.5 6.1
145 3 2 -4 42.018 84.036 1.15077 78.9 2.5 2.3 6.1
146 2 11 -1 42.182 84.364 1.14712 52.2 1.7 1.5 6.1
147 4 7 -1 42.323 84.646 1.14402 91.4 2.9 2.7 6.1
148 2 0 4 42.495 84.99 1.14027 48.1 1.5 1.4 6.1
149 3 4 3 42.773 85.547 1.13426 58.0 1.9 1.7 6.1
150 2 2 4 43.188 86.375 1.1255 41.8 1.3 1.2 6.1
151 2 6 -4 43.368 86.735 1.12175 200.5 6.4 5.9 6.1
152 2 9 -3 43.47 86.94 1.11964 33.9 1.1 1.0 6.1
153 1 7 -4 43.639 87.278 1.11617 55.7 1.8 1.6 6.2
154 3 10 -1 43.743 87.487 1.11404 36.8 1.2 1.1 6.2
155 5 1 0 44.115 88.23 1.10656 109.8 3.5 3.2 6.2
156 4 4 2 44.211 88.422 1.10465 88.7 2.8 2.6 6.2
157 1 10 -3 44.444 88.887 1.10007 164.5 5.3 4.8 6.2
158 4 7 -2 44.563 89.127 1.09774 104.1 3.3 3.0 6.2
159 5 2 0 44.633 89.267 1.09638 49.9 1.6 1.5 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)
|