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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MONETITE
1, syn, f-monetite
CaHPO(4)
Triclinic P 1(-) Z = 4
R =0.031 NR =3738
17 .5 .1993
Ref.Str.:
Dickens B., Bowen J.S., Brown W.E. (1971)
* Acta Cryst., B28, 797-806
Reserv:
See U(ij) in the article. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.91 alpha = 96.34
b = 6.627 beta = 103.82
c = 6.998 gamma = 88.33
Unit cell volume (cub. angs.) = 309.28
Molar volume ( cub.cm/mol.) = 46.57
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2948 0.4339 0.2725 0.0 Ca = 1.00
2 0.1756 0.8374 0.6653 0.0 Ca = 1.00
3 0.208 0.379 0.7214 0.0 P = 1.00
4 0.2958 0.9424 0.2082 0.0 P = 1.00
5 0.3226 0.3325 0.938 0.0 O = 1.00
6 0.3518 0.4924 0.6332 0.0 O = 1.00
7 0.1387 0.181 0.5958 0.0 O = 1.00
8 0.0398 0.5237 0.7459 0.0 O = 1.00
9 0.3329 0.8363 0.0155 0.0 O = 1.00
10 0.4592 0.1024 0.3019 0.0 O = 1.00
11 0.0995 0.066 0.1639 0.0 O = 1.00
12 0.2874 0.7896 0.3514 0.0 O = 1.00
13 0.455 0.267 0.944 0.0 H = 1.00
14 0.01 0.023 0.034 0.0 H = 0.5 , H = 0.0
15 0.522 0.09 0.443 0.0 H = 0.5 , H = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2948 0.4339 0.2725
2 2 0.1756 0.8374 0.6653
3 3 0.208 0.379 0.7214
4 4 0.2958 0.9424 0.2082
5 5 0.3226 0.3325 0.938
6 6 0.3518 0.4924 0.6332
7 7 0.1387 0.181 0.5958
8 8 0.0398 0.5237 0.7459
9 9 0.3329 0.8363 0.0155
10 10 0.4592 0.1024 0.3019
11 11 0.0995 0.066 0.1639
12 12 0.2874 0.7896 0.3514
13 13 0.455 0.267 0.944
14 14 0.01 0.023 0.034
15 15 0.522 0.09 0.443
16 1 0.7052 0.5661 0.7275
17 2 0.8244 0.1626 0.3347
18 3 0.792 0.621 0.2786
19 4 0.7042 0.0576 0.7918
20 5 0.6774 0.6675 0.062
21 6 0.6482 0.5076 0.3668
22 7 0.8613 0.819 0.4042
23 8 0.9602 0.4763 0.2541
24 9 0.6671 0.1637 0.9845
25 10 0.5408 0.8976 0.6981
26 11 0.9005 0.934 0.8361
27 12 0.7126 0.2104 0.6486
28 13 0.545 0.733 0.056
29 14 0.99 0.977 0.966
30 15 0.478 0.91 0.557
X-ray density (g/cm cub.) = 2.92
MU (1/cm) = 204.487 Mass attenuation coefficient (cm**2/g) = 70.003
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.4141 5
2.4484 6
2.4498 10
2.7633 11
2.3628 12
2.4219 6
2.2955 8
2 Ca 2.88 8
2.572 6
2.3744 7
2.4791 8
2.4328 9
2.483 12
2.478 7
2.5183 10
2.5095 11
3 P 2.232 4
1.5922 5
1.5401 6
1.518 7
1.5145 8
4 P 2.232 4
1.5244 9
1.5465 10
1.5483 11
1.5127 12
5 O 3.264 7
2.5358 6
2.5391 7
2.4916 8
3.0539 10
3.1519 11
3.2508 5
2.565 9
6 O 3.264 7
2.5358 5
2.5237 7
2.4623 8
2.8902 12
3.0916 6
2.9621 10
3.0601 12
7 O 3.264 9
2.5391 5
2.5237 6
2.5404 8
2.9835 11
3.227 12
3.0914 7
3.2485 8
3.2099 11
3.0519 12
8 O 3.264 7
2.4916 5
2.4623 6
2.5404 7
3.0836 9
3.2485 7
2.9115 11
3.0186 12
9 O 3.264 7
3.0836 8
2.5223 10
2.5109 11
2.4979 12
2.565 5
2.9867 10
3.0327 11
10 O 3.264 8
3.0539 5
2.5223 9
2.4506 11
2.5149 12
2.9621 6
2.9867 9
3.1443 10
2.6692 12
11 O 3.264 9
3.1519 5
2.9835 7
2.5109 9
2.4506 10
2.5181 12
3.2099 7
2.9115 8
3.0327 9
2.4573 11
12 O 3.264 9
2.8902 6
3.227 7
2.4979 9
2.5149 10
2.5181 11
3.0601 6
3.0519 7
3.0186 8
2.6692 10
13 H 1.632 2
0.9948 5
1.5757 9
14 H ,H 1.632 2
0.9872 11
1.4776 11
15 H ,H 1.632 1
0.9906 10
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 0 1 6.546 13.092 0.074 150.92 2 20.1 127.6
2 1 0 0 6.592 13.184 0.075 148.8 2 0.7 0.2
3 0 1 0 6.716 13.432 0.076 143.27 2 0.9 0.2
4 -1 0 1 8.123 16.246 0.092 97.22 2 7.3 10.9
5 0 -1 1 8.88 17.761 0.1 80.99 2 14.5 35.6
6 1 1 0 9.418 18.837 0.106 71.76 2 3.7 2.0
7 -1 1 0 9.446 18.891 0.107 71.33 2 0.8 0.1
8 0 1 1 9.893 19.785 0.112 64.84 2 9.2 11.6
9 -1 -1 1 10.095 20.19 0.114 62.18 2 14.6 27.8
10 1 0 1 10.367 20.734 0.117 58.85 2 17.5 37.9
11 -1 1 1 11.024 22.047 0.124 51.8 2 17.7 33.8
12 1 -1 1 12.01 24.019 0.135 43.32 2 12.5 14.3
13 1 1 1 12.766 25.532 0.143 38.1 2 34.5 94.6
14 0 0 2 13.18 26.359 0.148 35.62 2 95.6 680.2
15 2 0 0 13.273 26.546 0.149 35.09 2 89.8 592.1
16 -1 0 2 13.278 26.555 0.149 35.06 2 29.8 64.9
17 -2 0 1 13.347 26.694 0.15 34.68 2 56.3 229.7
18 0 2 0 13.527 27.053 0.152 33.71 2 30.9 67.2
19 0 -1 2 14.176 28.352 0.159 30.51 2 7.3 3.4
20 -1 -1 2 14.259 28.517 0.16 30.14 2 55.1 191.2
21 0 -2 1 14.421 28.841 0.162 29.42 2 22.6 31.5
22 -2 -1 1 14.651 29.302 0.164 28.44 2 4.1 1.0
23 2 1 0 14.914 29.828 0.167 27.38 2 13.3 10.2
24 -2 1 0 14.949 29.898 0.167 27.24 2 14.4 11.8
25 1 2 0 15.085 30.17 0.169 26.72 2 88.1 433.8
26 -1 2 0 15.12 30.241 0.169 26.59 2 97.2 525.4
27 -1 -2 1 15.211 30.421 0.17 26.25 2 76.2 319.1
28 -2 1 1 15.338 30.676 0.172 25.78 2 23.6 30.1
29 0 1 2 15.492 30.985 0.173 25.23 2 33.8 60.3
30 -1 1 2 15.585 31.171 0.174 24.91 2 22.4 26.1
31 0 2 1 15.718 31.436 0.176 24.46 2 14.5 10.8
32 1 0 2 16.173 32.346 0.181 23.0 2 51.2 125.9
33 2 0 1 16.231 32.462 0.181 22.82 2 69.2 228.8
34 -2 0 2 16.416 32.831 0.183 22.27 2 87.4 355.9
35 -1 2 1 16.484 32.968 0.184 22.07 2 40.7 76.5
36 1 -2 1 16.594 33.188 0.185 21.75 2 2.8 0.4
37 1 -1 2 17.017 34.035 0.19 20.59 2 7.9 2.7
38 -2 -1 2 17.226 34.453 0.192 20.05 2 3.1 0.4
39 2 -1 1 17.369 34.738 0.194 19.7 2 17.6 12.8
40 1 2 1 17.718 35.437 0.198 18.86 2 26.9 28.5
41 2 1 1 17.902 35.805 0.2 18.44 2 21.6 17.9
42 0 -2 2 17.984 35.968 0.2 18.25 2 68.0 176.5
43 -1 -2 2 18.043 36.086 0.201 18.12 2 25.9 25.5
44 1 1 2 18.134 36.267 0.202 17.92 2 15.7 9.3
45 -2 1 2 18.376 36.751 0.205 17.41 2 14.6 7.8
46 -2 -2 1 18.626 37.252 0.207 16.9 2 15.6 8.6
47 2 2 0 19.104 38.208 0.212 15.98 2 15.4 7.9
48 -2 2 0 19.161 38.322 0.213 15.88 2 23.5 18.3
49 -1 0 3 19.509 39.017 0.217 15.26 2 50.0 79.8
50 -3 0 1 19.641 39.281 0.218 15.03 2 19.3 11.8
51 -2 2 1 19.733 39.465 0.219 14.87 2 15.1 7.1
52 -1 -1 3 19.966 39.932 0.222 14.49 2 27.5 23.0
53 0 0 3 19.999 39.998 0.222 14.44 2 70.8 151.5
54 0 2 2 20.097 40.193 0.223 14.28 2 38.3 43.9
55 3 0 0 20.145 40.289 0.224 14.21 2 19.2 10.9
56 -1 2 2 20.178 40.355 0.224 14.15 2 56.9 95.9
57 1 -2 2 20.362 40.725 0.226 13.87 2 40.9 48.5
58 0 -1 3 20.454 40.908 0.227 13.73 2 43.9 55.2
59 -2 -2 2 20.522 41.044 0.228 13.63 2 19.0 10.3
60 0 3 0 20.539 41.078 0.228 13.6 2 50.7 73.1
61 -3 -1 1 20.581 41.163 0.228 13.54 2 29.5 24.6
62 2 -2 1 20.917 41.834 0.232 13.06 2 25.4 17.6
63 0 -3 1 20.926 41.852 0.232 13.05 2 62.5 106.6
64 2 0 2 21.095 42.189 0.234 12.82 2 4.4 0.5
65 -3 1 1 21.111 42.222 0.234 12.79 2 48.6 63.1
66 3 1 0 21.308 42.617 0.236 12.53 2 45.6 54.5
67 -2 0 3 21.341 42.681 0.236 12.49 2 0.9 0.0
68 -3 1 0 21.347 42.695 0.236 12.48 2 25.9 17.4
69 -3 0 2 21.417 42.834 0.237 12.39 2 15.0 5.9
70 -1 1 3 21.456 42.912 0.237 12.34 2 22.3 12.8
71 -1 -3 1 21.498 42.997 0.238 12.28 2 26.9 18.6
72 1 3 0 21.644 43.288 0.239 12.1 2 42.7 46.1
73 -1 3 0 21.683 43.365 0.24 12.05 2 23.1 13.4
74 -2 -1 3 21.759 43.519 0.241 11.95 2 6.8 1.1
75 2 -1 2 21.781 43.561 0.241 11.93 2 15.8 6.2
76 2 2 1 21.825 43.65 0.241 11.87 2 37.4 34.6
77 0 1 3 21.904 43.809 0.242 11.78 2 0.4 0.0
78 -3 -1 2 22.064 44.127 0.244 11.59 2 12.2 3.6
79 1 2 2 22.261 44.521 0.246 11.36 2 50.6 60.8
80 0 3 1 22.351 44.703 0.247 11.25 2 12.6 3.7
81 -2 2 2 22.484 44.968 0.248 11.1 2 2.9 0.2
82 1 -3 1 22.559 45.119 0.249 11.02 2 20.6 9.7
83 2 1 2 22.685 45.371 0.25 10.88 2 46.2 48.6
84 1 0 3 22.688 45.376 0.25 10.88 2 23.2 12.3
85 -1 -2 3 22.708 45.416 0.251 10.86 2 1.9 0.1
86 3 0 1 22.805 45.61 0.252 10.75 2 48.4 52.7
87 -1 3 1 22.932 45.864 0.253 10.62 2 10.3 2.3
88 -3 1 2 23.021 46.042 0.254 10.53 2 10.8 2.6
89 1 -1 3 23.106 46.211 0.255 10.44 2 10.4 2.4
90 0 -2 3 23.155 46.31 0.255 10.39 2 19.3 8.1
91 -2 1 3 23.168 46.336 0.255 10.38 2 25.3 13.9
92 0 -3 2 23.424 46.847 0.258 10.12 2 8.3 1.5
93 -1 -3 2 23.465 46.93 0.258 10.08 2 25.8 14.0
94 3 -1 1 23.679 47.358 0.261 9.88 2 15.4 4.9
95 -3 -2 1 23.698 47.396 0.261 9.86 2 93.3 179.5
96 1 3 1 23.872 47.743 0.263 9.7 2 8.3 1.4
97 3 1 1 24.083 48.167 0.265 9.5 2 27.1 14.5
98 -2 -3 1 24.151 48.302 0.266 9.44 2 8.0 1.2
99 -2 -2 3 24.333 48.666 0.267 9.28 2 56.2 61.4
100 1 1 3 24.419 48.837 0.268 9.21 2 8.1 1.3
101 3 2 0 24.567 49.134 0.27 9.08 2 22.3 9.4
102 2 -2 2 24.592 49.184 0.27 9.06 2 59.6 67.3
103 -3 2 0 24.637 49.273 0.271 9.03 2 97.1 177.9
104 -3 2 1 24.641 49.282 0.271 9.02 2 19.8 7.4
105 2 3 0 24.755 49.511 0.272 8.93 2 6.3 0.7
106 -3 -2 2 24.821 49.642 0.272 8.87 2 31.3 18.1
107 -2 3 0 24.825 49.65 0.273 8.87 2 2.4 0.1
108 -3 0 3 25.081 50.163 0.275 8.67 2 4.9 0.4
109 -1 2 3 25.36 50.719 0.278 8.45 2 63.8 71.9
110 1 -3 2 25.39 50.78 0.278 8.43 2 15.5 4.2
111 -3 -1 3 25.447 50.893 0.279 8.39 2 52.1 47.6
112 -2 3 1 25.503 51.005 0.279 8.34 2 12.0 2.5
113 -2 -3 2 25.508 51.015 0.28 8.34 2 8.7 1.3
114 1 -2 3 25.591 51.183 0.28 8.28 2 42.1 30.7
115 0 2 3 25.749 51.498 0.282 8.16 2 30.6 16.0
116 0 3 2 25.998 51.995 0.285 7.99 2 24.0 9.6
117 -1 3 2 26.07 52.139 0.285 7.94 2 56.7 53.4
118 2 -3 1 26.072 52.143 0.285 7.93 2 9.4 1.5
119 2 2 2 26.227 52.455 0.287 7.83 2 13.4 2.9
120 -1 0 4 26.298 52.597 0.288 7.78 2 42.2 28.9
121 -1 -1 4 26.459 52.918 0.289 7.67 2 56.9 52.0
122 -4 0 1 26.494 52.989 0.29 7.65 2 65.7 69.1
123 3 -2 1 26.544 53.089 0.29 7.62 2 67.3 72.1
124 -3 2 2 26.556 53.113 0.29 7.61 2 99.5 157.4
125 -3 1 3 26.717 53.435 0.292 7.5 2 22.2 7.7
126 -2 2 3 26.886 53.772 0.294 7.4 2 34.1 18.0
127 2 0 3 27.059 54.117 0.295 7.29 2 63.9 62.3
128 3 0 2 27.123 54.246 0.296 7.25 2 5.4 0.4
129 0 0 4 27.13 54.26 0.296 7.25 2 22.8 7.9
130 -1 -3 3 27.19 54.381 0.297 7.21 2 11.4 2.0
131 2 3 1 27.225 54.449 0.297 7.19 2 59.9 54.0
132 -4 -1 1 27.243 54.485 0.297 7.18 2 1.0 0.0
133 3 2 1 27.286 54.572 0.298 7.15 2 61.2 56.1
134 0 -1 4 27.292 54.585 0.298 7.15 2 17.5 4.6
135 4 0 0 27.335 54.669 0.298 7.12 2 6.4 0.6
136 -2 0 4 27.344 54.688 0.298 7.12 2 37.8 21.3
137 2 -1 3 27.432 54.864 0.299 7.07 2 25.6 9.7
138 -2 -1 4 27.495 54.99 0.3 7.03 2 2.8 0.1
139 -4 0 2 27.497 54.994 0.3 7.03 2 57.1 47.9
140 0 -3 3 27.589 55.177 0.301 6.98 2 52.1 39.6
141 -4 1 1 27.684 55.367 0.302 6.92 2 9.5 1.3
142 3 -1 2 27.699 55.398 0.302 6.91 2 28.4 11.7
143 -3 -2 3 27.756 55.513 0.302 6.88 2 59.8 51.4
144 1 3 2 27.799 55.598 0.303 6.86 2 37.4 20.1
145 0 4 0 27.891 55.783 0.304 6.81 2 29.3 12.2
146 1 2 3 27.999 55.997 0.305 6.75 2 60.1 51.0
147 0 -4 1 28.004 56.008 0.305 6.74 2 41.2 23.9
148 -2 3 2 28.005 56.01 0.305 6.74 2 14.3 2.9
149 -4 -1 2 28.031 56.062 0.305 6.73 2 22.5 7.1
150 -1 1 4 28.07 56.139 0.305 6.71 2 29.0 11.8
151 4 1 0 28.263 56.526 0.307 6.6 2 15.7 3.4
152 -4 1 0 28.305 56.611 0.308 6.58 2 15.0 3.1
153 -3 -3 1 28.443 56.887 0.309 6.51 2 7.9 0.8
154 3 1 2 28.452 56.903 0.309 6.51 2 9.1 1.1
155 -1 -4 1 28.462 56.924 0.309 6.5 2 30.1 12.3
156 -1 -2 4 28.529 57.058 0.31 6.47 2 36.7 18.2
157 2 1 3 28.589 57.178 0.311 6.43 2 55.4 41.3
158 -2 -3 3 28.623 57.246 0.311 6.42 2 47.7 30.6
159 1 4 0 28.774 57.548 0.312 6.34 2 4.6 0.3
160 -1 4 0 28.816 57.632 0.313 6.32 2 6.9 0.6
161 -4 1 2 28.851 57.702 0.313 6.3 2 21.4 6.0
162 0 1 4 28.861 57.723 0.313 6.3 2 40.6 21.7
163 2 -3 2 29.067 58.134 0.315 6.2 2 34.9 15.8
164 -2 1 4 29.078 58.155 0.315 6.19 2 15.1 3.0
165 -3 -3 2 29.246 58.491 0.317 6.11 2 28.4 10.3
166 0 -2 4 29.328 58.656 0.318 6.07 2 67.8 58.3
167 1 -4 1 29.344 58.689 0.318 6.07 2 5.6 0.4
168 3 3 0 29.401 58.803 0.319 6.04 2 16.7 3.5
169 -3 3 0 29.494 58.988 0.32 6.0 2 2.0 0.0
170 -2 -2 4 29.511 59.023 0.32 5.99 2 42.8 22.9
171 0 4 1 29.548 59.096 0.32 5.97 2 38.1 18.1
172 2 -2 3 29.661 59.322 0.321 5.92 2 38.6 18.4
173 -3 3 1 29.687 59.375 0.321 5.91 2 11.2 1.5
174 1 0 4 29.732 59.464 0.322 5.89 2 21.4 5.6
175 1 -3 3 29.769 59.538 0.322 5.87 2 23.9 7.0
176 -4 -2 1 29.829 59.659 0.323 5.85 2 14.5 2.6
177 0 -4 2 29.873 59.746 0.323 5.83 2 12.7 2.0
178 1 -1 4 29.89 59.78 0.323 5.82 2 19.9 4.8
179 -1 -4 2 29.903 59.806 0.324 5.82 2 26.7 8.6
180 4 0 1 29.913 59.826 0.324 5.81 2 62.2 47.0
181 -1 4 1 30.032 60.063 0.325 5.76 2 34.3 14.2
182 3 -2 2 30.109 60.217 0.326 5.73 2 44.0 23.2
183 -3 2 3 30.127 60.254 0.326 5.72 2 0.6 0.0
184 -3 0 4 30.135 60.27 0.326 5.72 2 41.5 20.6
185 -4 0 3 30.219 60.438 0.327 5.68 2 34.4 14.1
186 -3 -1 4 30.272 60.544 0.327 5.66 2 23.3 6.4
187 -4 -2 2 30.388 60.777 0.328 5.61 2 18.3 3.9
188 -4 -1 3 30.537 61.074 0.33 5.55 2 20.4 4.8
189 4 -1 1 30.646 61.292 0.331 5.51 2 17.5 3.5
190 -4 2 1 30.659 61.318 0.331 5.5 2 1.8 0.0
191 -2 -4 1 30.667 61.333 0.331 5.5 2 67.5 52.3
192 -1 3 3 30.685 61.37 0.331 5.49 2 26.9 8.3
193 1 4 1 30.806 61.612 0.332 5.44 2 23.3 6.2
194 4 1 1 30.976 61.952 0.334 5.38 2 2.7 0.1
195 4 2 0 30.979 61.959 0.334 5.38 2 22.6 5.7
196 3 -3 1 31.014 62.029 0.334 5.36 2 4.0 0.2
197 0 3 3 31.025 62.049 0.335 5.36 2 46.1 23.8
198 -4 2 0 31.059 62.118 0.335 5.34 2 4.3 0.2
199 2 3 2 31.256 62.512 0.337 5.27 2 10.0 1.1
200 1 1 4 31.366 62.733 0.338 5.23 2 25.9 7.3
201 2 4 0 31.367 62.733 0.338 5.23 2 1.5 0.0
202 -2 4 0 31.446 62.892 0.339 5.2 2 44.2 21.3
203 3 2 2 31.529 63.059 0.339 5.17 2 15.5 2.6
204 -1 2 4 31.557 63.114 0.34 5.16 2 22.7 5.6
205 1 -4 2 31.563 63.126 0.34 5.16 2 56.2 34.1
206 -3 3 2 31.576 63.151 0.34 5.15 2 14.1 2.1
207 -2 -4 2 31.65 63.301 0.341 5.13 2 5.9 0.4
208 -4 1 3 31.681 63.363 0.341 5.12 2 16.3 2.8
209 -3 -3 3 31.725 63.451 0.341 5.1 2 7.1 0.5
210 -3 1 4 31.777 63.554 0.342 5.08 2 23.5 5.9
211 1 -2 4 31.826 63.651 0.342 5.07 2 15.4 2.5
212 2 2 3 31.845 63.69 0.342 5.06 2 17.6 3.3
213 -4 2 2 31.939 63.879 0.343 5.03 2 15.7 2.6
214 3 3 1 32.022 64.044 0.344 5.0 2 43.0 19.3
215 -2 3 3 32.048 64.096 0.344 4.99 2 20.3 4.3
216 -3 -2 4 32.174 64.349 0.346 4.95 2 40.6 17.0
217 -2 4 1 32.21 64.42 0.346 4.94 2 20.4 4.3
218 -1 -3 4 32.269 64.538 0.347 4.92 2 46.2 22.0
219 0 2 4 32.291 64.582 0.347 4.91 2 8.1 0.7
220 2 -4 1 32.343 64.686 0.347 4.89 2 13.3 1.8
221 -2 2 4 32.503 65.007 0.349 4.84 2 11.9 1.4
222 -4 -2 3 32.605 65.211 0.35 4.81 2 19.5 3.8
223 3 0 3 32.674 65.349 0.35 4.79 2 21.4 4.6
224 0 4 2 32.807 65.614 0.352 4.74 2 12.9 1.7
225 -1 4 2 32.874 65.748 0.352 4.72 2 4.2 0.2
226 -1 -4 3 32.957 65.913 0.353 4.7 2 36.7 13.2
227 3 -1 3 33.013 66.025 0.354 4.68 2 33.9 11.3
228 0 -3 4 33.019 66.037 0.354 4.68 2 38.7 14.7
229 1 3 3 33.037 66.074 0.354 4.67 2 40.7 16.2
230 4 -2 1 33.106 66.212 0.355 4.65 2 29.0 8.2
231 -2 -3 4 33.18 66.361 0.355 4.63 2 12.3 1.5
232 0 -4 3 33.317 66.634 0.357 4.59 2 14.1 1.9
233 2 -3 3 33.517 67.034 0.358 4.53 2 20.3 3.9
234 -1 -1 5 33.612 67.224 0.359 4.51 2 8.3 0.6
235 -1 0 5 33.65 67.3 0.36 4.5 2 16.0 2.4
236 2 4 1 33.692 67.383 0.36 4.48 2 48.6 22.1
237 4 2 1 33.738 67.476 0.361 4.47 2 21.3 4.2
238 2 0 4 33.853 67.707 0.362 4.44 2 5.0 0.2
239 -5 0 1 33.921 67.841 0.362 4.42 2 8.5 0.7
240 4 0 2 33.988 67.977 0.363 4.4 2 9.6 0.8
241 -4 -3 1 33.998 67.995 0.363 4.4 2 9.2 0.8
242 2 -1 4 34.006 68.011 0.363 4.4 2 17.0 2.7
243 3 1 3 34.045 68.09 0.363 4.39 2 6.4 0.4
244 3 -3 2 34.116 68.232 0.364 4.37 2 8.1 0.6
245 -2 -1 5 34.133 68.266 0.364 4.36 2 29.1 7.7
246 -2 0 5 34.176 68.351 0.365 4.35 2 4.7 0.2
247 -2 -4 3 34.237 68.474 0.365 4.34 2 9.5 0.8
248 -4 -3 2 34.345 68.689 0.366 4.31 2 1.0 0.0
249 1 4 2 34.379 68.758 0.367 4.3 2 31.7 9.0
250 -5 0 2 34.41 68.821 0.367 4.29 2 19.7 3.5
251 -4 0 4 34.417 68.833 0.367 4.29 2 43.3 16.8
252 -3 -4 1 34.42 68.841 0.367 4.29 2 78.5 55.2
253 4 -1 2 34.5 68.999 0.368 4.27 2 2.9 0.1
254 -4 -1 4 34.539 69.079 0.368 4.26 2 23.3 4.8
255 -5 -1 1 34.564 69.128 0.368 4.25 2 9.9 0.9
256 -2 4 2 34.576 69.152 0.368 4.25 2 73.1 47.5
257 1 2 4 34.649 69.299 0.369 4.23 2 34.4 10.4
258 0 -1 5 34.718 69.437 0.37 4.21 2 11.4 1.1
259 0 0 5 34.751 69.502 0.37 4.21 2 11.5 1.2
260 -4 2 3 34.799 69.598 0.37 4.19 2 11.2 1.1
261 2 -4 2 34.832 69.665 0.371 4.19 2 27.6 6.7
262 -5 -1 2 34.876 69.753 0.371 4.17 2 2.8 0.1
263 -5 1 1 34.959 69.918 0.372 4.15 2 4.3 0.2
264 -3 -4 2 34.971 69.942 0.372 4.15 2 8.1 0.6
265 -3 3 3 35.005 70.009 0.372 4.14 2 8.9 0.7
266 5 0 0 35.029 70.057 0.373 4.14 2 28.9 7.2
267 3 -2 3 35.035 70.07 0.373 4.14 2 34.1 10.0
268 -3 2 4 35.059 70.118 0.373 4.13 2 44.6 17.2
269 -4 3 1 35.157 70.313 0.374 4.11 2 15.6 2.1
270 4 1 2 35.157 70.314 0.374 4.11 2 0.8 0.0
271 4 3 0 35.246 70.491 0.375 4.09 2 19.1 3.1
272 -1 -2 5 35.255 70.51 0.375 4.08 2 14.6 1.8
273 1 -4 3 35.293 70.586 0.375 4.08 2 31.7 8.6
274 -4 3 0 35.358 70.716 0.376 4.06 2 12.9 1.4
275 -1 1 5 35.367 70.733 0.376 4.06 2 0.9 0.0
276 1 -3 4 35.376 70.752 0.376 4.06 2 11.4 1.1
277 2 1 4 35.379 70.758 0.376 4.06 2 8.9 0.7
278 3 4 0 35.458 70.915 0.377 4.04 2 9.5 0.8
279 -3 4 0 35.569 71.139 0.378 4.01 2 58.9 29.1
280 -5 1 2 35.614 71.229 0.378 4.0 2 2.1 0.0
281 -3 -3 4 35.689 71.378 0.379 3.99 2 19.9 3.3
282 0 -5 1 35.712 71.423 0.379 3.98 2 5.6 0.3
283 -2 -2 5 35.76 71.521 0.379 3.97 2 55.2 25.3
284 0 5 0 35.785 71.57 0.38 3.97 2 16.9 2.4
285 2 -2 4 35.826 71.652 0.38 3.96 2 24.7 5.0
286 5 1 0 35.835 71.67 0.38 3.95 2 22.8 4.3
287 -5 1 0 35.881 71.762 0.38 3.94 2 0.7 0.0
288 -2 1 5 35.885 71.77 0.38 3.94 2 2.0 0.0
289 -3 4 1 35.916 71.833 0.381 3.94 2 15.5 2.0
290 -4 1 4 35.959 71.918 0.381 3.93 2 42.8 15.0
291 -1 -5 1 36.109 72.218 0.383 3.9 2 3.1 0.1
292 3 3 2 36.109 72.218 0.383 3.9 2 12.2 1.2
293 -3 -1 5 36.249 72.497 0.384 3.87 2 28.0 6.4
294 -4 -3 3 36.266 72.531 0.384 3.86 2 20.5 3.4
295 -3 0 5 36.295 72.589 0.384 3.86 2 12.3 1.2
296 -4 -2 4 36.32 72.64 0.384 3.85 2 23.7 4.5
297 0 -2 5 36.343 72.686 0.385 3.85 2 19.3 3.0
298 0 1 5 36.439 72.879 0.386 3.83 2 54.2 23.5
299 -5 0 3 36.469 72.938 0.386 3.82 2 34.1 9.3
300 -1 3 4 36.495 72.989 0.386 3.82 2 19.7 3.1
301 -4 3 2 36.526 73.051 0.386 3.81 2 34.6 9.5
302 1 5 0 36.554 73.109 0.387 3.81 2 1.9 0.0
303 2 3 3 36.58 73.16 0.387 3.8 2 35.4 10.0
304 -1 5 0 36.6 73.201 0.387 3.8 2 19.3 3.0
305 4 -2 2 36.659 73.317 0.388 3.79 2 45.6 16.4
306 -5 -1 3 36.754 73.508 0.388 3.77 2 13.4 1.4
307 3 -4 1 36.787 73.574 0.389 3.76 2 9.8 0.8
308 -5 -2 1 36.85 73.7 0.389 3.75 2 36.4 10.4
309 1 -5 1 36.899 73.798 0.39 3.74 2 6.6 0.3
310 -5 -2 2 36.985 73.97 0.391 3.72 2 6.8 0.4
311 3 2 3 37.034 74.068 0.391 3.71 2 58.8 26.9
312 -3 -4 3 37.078 74.157 0.391 3.71 2 67.7 35.5
313 4 -3 1 37.119 74.238 0.392 3.7 2 9.8 0.7
314 -1 4 3 37.154 74.309 0.392 3.69 2 8.2 0.5
315 0 3 4 37.177 74.353 0.392 3.69 2 0.5 0.0
316 0 -5 2 37.197 74.394 0.392 3.68 2 0.0 0.0
317 -1 -5 2 37.219 74.439 0.393 3.68 2 10.8 0.9
318 -2 3 4 37.385 74.77 0.394 3.65 2 8.9 0.6
319 1 -1 5 37.386 74.773 0.394 3.65 2 22.2 3.7
320 1 0 5 37.414 74.827 0.394 3.64 2 15.5 1.8
321 0 5 1 37.414 74.828 0.394 3.64 2 18.3 2.6
322 -1 -4 4 37.426 74.851 0.394 3.64 2 43.1 14.1
323 0 4 3 37.46 74.92 0.395 3.64 2 56.3 24.1
324 2 4 2 37.494 74.988 0.395 3.63 2 41.6 13.1
325 -5 2 1 37.618 75.235 0.396 3.61 2 48.2 17.5
326 5 0 1 37.672 75.345 0.397 3.6 2 40.3 12.2
327 -3 4 2 37.811 75.621 0.398 3.58 2 30.6 7.0
328 -5 1 3 37.814 75.627 0.398 3.58 2 4.5 0.1
329 -3 -2 5 37.833 75.666 0.398 3.57 2 1.0 0.0
330 -1 5 1 37.849 75.699 0.398 3.57 2 27.6 5.7
331 4 2 2 37.937 75.874 0.399 3.55 2 19.2 2.7
332 -3 1 5 37.969 75.937 0.399 3.55 2 9.5 0.7
333 4 3 1 38.02 76.041 0.4 3.54 2 1.5 0.0
334 3 4 1 38.028 76.055 0.4 3.54 2 15.3 1.7
335 -2 -5 1 38.071 76.142 0.4 3.53 2 9.6 0.7
336 0 -4 4 38.133 76.267 0.401 3.52 2 29.9 6.6
337 5 2 0 38.257 76.514 0.402 3.5 2 38.0 10.6
338 -2 -4 4 38.277 76.553 0.402 3.5 2 33.1 8.0
339 5 -1 1 38.335 76.67 0.403 3.49 2 20.7 3.1
340 -5 2 0 38.348 76.695 0.403 3.49 2 7.9 0.5
341 -2 4 3 38.41 76.819 0.403 3.48 2 25.6 4.8
342 -5 2 2 38.422 76.845 0.403 3.48 2 57.0 23.6
343 -1 -3 5 38.485 76.971 0.404 3.47 2 4.2 0.1
344 2 2 4 38.497 76.993 0.404 3.46 2 7.7 0.4
345 1 5 1 38.536 77.072 0.404 3.46 2 2.0 0.0
346 5 1 1 38.624 77.248 0.405 3.45 2 23.9 4.1
347 3 -3 3 38.625 77.251 0.405 3.44 2 29.1 6.1
348 -5 -2 3 38.656 77.312 0.405 3.44 2 43.4 13.5
349 -1 2 5 38.665 77.33 0.406 3.44 2 38.6 10.7
350 1 -5 2 38.732 77.464 0.406 3.43 2 3.7 0.1
351 2 -4 3 38.779 77.558 0.407 3.42 2 12.3 1.1
352 -2 -5 2 38.798 77.596 0.407 3.42 2 48.4 16.8
353 2 5 0 38.873 77.746 0.407 3.41 2 41.5 12.3
354 -2 5 0 38.963 77.926 0.408 3.39 2 26.4 4.9
355 -2 -3 5 38.97 77.941 0.408 3.39 2 13.8 1.4
356 1 -2 5 38.972 77.945 0.408 3.39 2 1.0 0.0
357 1 1 5 39.053 78.106 0.409 3.38 2 22.1 3.4
358 -4 2 4 39.087 78.173 0.409 3.38 2 15.8 1.8
359 -2 2 5 39.172 78.344 0.41 3.36 2 13.7 1.3
360 2 -3 4 39.218 78.437 0.41 3.36 2 48.7 16.7
361 3 0 4 39.293 78.586 0.411 3.35 2 14.6 1.5
362 1 4 3 39.314 78.628 0.411 3.35 2 16.8 2.0
363 4 0 3 39.368 78.735 0.412 3.34 2 30.6 6.5
364 -4 3 3 39.402 78.804 0.412 3.33 2 0.1 0.0
365 1 3 4 39.403 78.806 0.412 3.33 2 21.7 3.3
366 3 -1 4 39.441 78.883 0.412 3.33 2 32.5 7.4
367 3 -4 2 39.516 79.031 0.413 3.32 2 83.1 47.9
368 -4 -4 1 39.538 79.076 0.413 3.31 2 46.7 15.1
369 0 -3 5 39.545 79.091 0.413 3.31 2 4.0 0.1
370 2 -5 1 39.618 79.235 0.414 3.3 2 37.2 9.6
371 -4 -3 4 39.671 79.341 0.414 3.3 2 7.6 0.4
372 4 -1 3 39.686 79.372 0.415 3.3 2 8.4 0.5
373 -4 -4 2 39.701 79.401 0.415 3.29 2 23.9 3.9
374 0 2 5 39.701 79.403 0.415 3.29 2 24.4 4.1
375 -3 3 4 39.812 79.623 0.416 3.28 2 48.1 15.8
376 -2 5 1 39.827 79.654 0.416 3.28 2 13.3 1.2
377 -1 -5 3 39.84 79.68 0.416 3.28 2 11.8 0.9
378 -4 -1 5 39.859 79.718 0.416 3.27 2 14.6 1.5
379 -4 0 5 39.908 79.816 0.416 3.27 2 20.8 3.0
380 -5 0 4 40.003 80.006 0.417 3.25 2 1.6 0.0
381 -5 -1 4 40.115 80.23 0.418 3.24 2 2.6 0.0
382 0 -5 3 40.179 80.359 0.419 3.23 2 11.6 0.9
383 4 -3 2 40.366 80.732 0.42 3.21 2 16.6 1.8
384 1 -4 4 40.375 80.749 0.42 3.21 2 48.1 15.6
385 0 5 2 40.532 81.065 0.422 3.19 2 19.0 2.4
386 5 -2 1 40.587 81.175 0.422 3.18 2 53.9 19.3
387 -1 5 2 40.599 81.197 0.422 3.18 2 9.5 0.6
388 4 1 3 40.642 81.283 0.423 3.18 2 35.5 8.4
389 -5 -3 2 40.643 81.285 0.423 3.18 2 50.7 17.1
390 -3 -4 4 40.656 81.313 0.423 3.18 2 24.3 3.9
391 -5 -3 1 40.676 81.353 0.423 3.17 2 39.5 10.3
392 -5 2 3 40.735 81.469 0.424 3.17 2 57.5 21.9
393 3 1 4 40.737 81.474 0.424 3.17 2 31.8 6.7
394 4 4 0 40.887 81.774 0.425 3.15 2 24.0 3.8
395 -3 -3 5 40.985 81.97 0.426 3.14 2 1.2 0.0
396 -4 4 1 41.002 82.004 0.426 3.14 2 10.9 0.8
397 -4 4 0 41.029 82.058 0.426 3.13 2 30.4 6.1
398 -2 -5 3 41.031 82.063 0.426 3.13 2 18.2 2.2
399 5 2 1 41.157 82.313 0.427 3.12 2 43.7 12.5
400 3 -2 4 41.178 82.355 0.427 3.12 2 3.4 0.1
401 2 5 1 41.178 82.357 0.427 3.12 2 27.1 4.8
402 -3 4 3 41.182 82.364 0.427 3.12 2 0.3 0.0
403 -3 2 5 41.206 82.413 0.428 3.12 2 25.0 4.1
404 -4 -4 3 41.37 82.74 0.429 3.1 2 25.2 4.1
405 -4 -2 5 41.396 82.792 0.429 3.1 2 44.3 12.7
406 -5 1 4 41.477 82.953 0.43 3.09 2 5.7 0.2
407 2 -1 5 41.515 83.031 0.43 3.08 2 16.3 1.7
408 3 3 3 41.521 83.043 0.43 3.08 2 38.9 9.7
409 -3 -5 1 41.527 83.055 0.43 3.08 2 8.8 0.5
410 2 0 5 41.537 83.075 0.43 3.08 2 14.8 1.4
411 -4 1 5 41.542 83.084 0.43 3.08 2 33.7 7.3
412 -1 -1 6 41.574 83.148 0.431 3.08 2 78.1 39.3
413 4 -2 3 41.588 83.177 0.431 3.08 2 30.9 6.1
414 -2 -1 6 41.701 83.403 0.432 3.07 2 31.1 6.2
415 5 0 2 41.758 83.515 0.432 3.06 2 31.8 6.5
416 -1 0 6 41.773 83.547 0.432 3.06 2 9.3 0.6
417 2 -5 2 41.774 83.547 0.432 3.06 2 7.0 0.3
418 -5 3 1 41.795 83.591 0.433 3.06 2 1.4 0.0
419 -5 -2 4 41.81 83.619 0.433 3.06 2 4.8 0.1
420 -3 -5 2 41.882 83.764 0.433 3.05 2 4.4 0.1
421 -2 0 6 41.905 83.81 0.434 3.05 2 9.9 0.6
422 1 5 2 41.989 83.979 0.434 3.04 2 8.2 0.4
423 1 -5 3 42.041 84.082 0.435 3.03 2 24.7 3.9
424 3 4 2 42.044 84.087 0.435 3.03 2 7.1 0.3
425 -5 -3 3 42.111 84.221 0.435 3.03 2 3.9 0.1
426 1 -3 5 42.12 84.241 0.435 3.03 2 8.8 0.5
427 -6 0 1 42.14 84.28 0.436 3.03 2 75.8 36.3
428 -2 5 2 42.187 84.374 0.436 3.02 2 35.2 7.8
429 5 3 0 42.211 84.422 0.436 3.02 2 14.1 1.2
430 4 3 2 42.23 84.461 0.436 3.02 2 10.7 0.7
431 -6 0 2 42.24 84.48 0.436 3.02 2 14.0 1.2
432 5 -1 2 42.24 84.481 0.436 3.02 2 1.7 0.0
433 1 2 5 42.252 84.504 0.436 3.02 2 23.6 3.5
434 -5 3 0 42.344 84.688 0.437 3.01 2 5.8 0.2
435 -4 4 2 42.474 84.949 0.438 3.0 2 67.1 28.2
436 4 -4 1 42.555 85.11 0.439 2.99 2 25.3 4.0
437 2 4 3 42.663 85.327 0.44 2.98 2 38.3 9.2
438 3 5 0 42.67 85.34 0.44 2.98 2 20.6 2.7
439 -6 -1 2 42.673 85.346 0.44 2.98 2 30.8 5.9
440 -6 -1 1 42.737 85.473 0.441 2.97 2 15.8 1.5
441 -5 3 2 42.744 85.487 0.441 2.97 2 7.4 0.3
442 -1 4 4 42.758 85.516 0.441 2.97 2 14.4 1.3
443 -3 5 0 42.803 85.605 0.441 2.97 2 10.3 0.7
444 5 1 2 42.85 85.7 0.441 2.97 2 29.7 5.5
445 -1 -2 6 42.95 85.9 0.442 2.96 2 2.5 0.0
446 0 -1 6 42.964 85.928 0.442 2.96 2 23.3 3.4
447 2 -2 5 43.068 86.136 0.443 2.95 2 50.0 15.4
448 -2 -2 6 43.072 86.144 0.443 2.95 2 41.1 10.4
449 2 3 4 43.112 86.224 0.444 2.95 2 24.2 3.6
450 -6 1 1 43.116 86.232 0.444 2.95 2 2.5 0.0
451 2 1 5 43.134 86.267 0.444 2.94 2 73.6 33.3
452 0 0 6 43.158 86.316 0.444 2.94 2 3.0 0.1
453 -1 -4 5 43.207 86.414 0.444 2.94 2 15.5 1.5
454 -3 5 1 43.296 86.591 0.445 2.93 2 3.7 0.1
455 -3 -1 6 43.344 86.688 0.446 2.93 2 46.6 13.3
456 -6 1 2 43.379 86.758 0.446 2.93 2 4.8 0.1
457 0 4 4 43.41 86.819 0.446 2.92 2 2.9 0.1
458 -1 3 5 43.453 86.906 0.446 2.92 2 55.2 18.6
459 4 2 3 43.479 86.959 0.447 2.92 2 3.8 0.1
460 6 0 0 43.534 87.068 0.447 2.92 2 34.9 7.4
461 -1 1 6 43.545 87.089 0.447 2.91 2 17.0 1.8
462 -3 0 6 43.551 87.102 0.447 2.91 2 37.8 8.7
463 -2 4 4 43.62 87.239 0.448 2.91 2 28.7 5.0
464 -2 -4 5 43.677 87.353 0.448 2.91 2 5.1 0.2
465 -2 1 6 43.68 87.36 0.448 2.91 2 54.1 17.8
466 3 -4 3 43.688 87.375 0.448 2.9 2 15.8 1.5
467 -4 3 4 43.715 87.431 0.449 2.9 2 51.5 16.1
468 4 4 1 43.719 87.439 0.449 2.9 2 27.1 4.4
469 -3 -5 3 43.73 87.459 0.449 2.9 2 3.9 0.1
470 3 2 4 43.741 87.483 0.449 2.9 2 14.3 1.2
471 3 -5 1 43.802 87.604 0.449 2.9 2 26.0 4.1
472 -6 0 3 43.833 87.666 0.45 2.9 2 82.7 41.4
473 -1 -5 4 43.91 87.82 0.45 2.89 2 15.5 1.5
474 -2 3 5 43.953 87.906 0.451 2.89 2 5.7 0.2
475 2 -4 4 44.1 88.201 0.452 2.88 2 9.7 0.6
476 -6 -1 3 44.102 88.203 0.452 2.88 2 8.3 0.4
477 0 -4 5 44.249 88.499 0.453 2.87 2 4.9 0.1
478 6 1 0 44.292 88.583 0.453 2.87 2 5.6 0.2
479 5 -2 2 44.292 88.583 0.453 2.87 2 0.6 0.0
480 0 -6 1 44.331 88.661 0.454 2.86 2 55.5 18.5
481 0 -2 6 44.34 88.679 0.454 2.86 2 35.7 7.6
482 -6 1 0 44.344 88.689 0.454 2.86 2 1.1 0.0
483 5 -3 1 44.382 88.765 0.454 2.86 2 13.3 1.1
484 0 3 5 44.464 88.928 0.455 2.86 2 3.7 0.1
485 3 -3 4 44.469 88.938 0.455 2.86 2 19.3 2.2
486 -4 -3 5 44.492 88.983 0.455 2.86 2 35.0 7.3
487 -5 2 4 44.51 89.02 0.455 2.85 2 34.5 7.1
488 -4 -4 4 44.518 89.036 0.455 2.85 2 11.6 0.8
489 0 6 0 44.563 89.126 0.455 2.85 2 7.6 0.3
490 0 -5 4 44.6 89.201 0.456 2.85 2 18.3 2.0
491 -6 -2 2 44.674 89.349 0.456 2.85 2 19.2 2.2
492 -1 -6 1 44.704 89.407 0.457 2.84 2 52.3 16.2
493 -3 -2 6 44.706 89.411 0.457 2.84 2 11.4 0.8
494 -2 -5 4 44.731 89.461 0.457 2.84 2 21.9 2.9
495 -4 2 5 44.733 89.466 0.457 2.84 2 5.2 0.2
496 -1 5 3 44.798 89.596 0.457 2.84 2 47.4 13.3
497 -5 -1 5 44.899 89.798 0.458 2.83 2 29.0 5.0
498 -6 -2 1 44.901 89.801 0.458 2.83 2 35.1 7.3
499 0 1 6 44.92 89.84 0.458 2.83 2 54.7 17.7
500 2 5 2 44.949 89.899 0.459 2.83 2 12.6 0.9
501 -5 0 5 44.952 89.903 0.459 2.83 2 44.5 11.7
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 0 1 6.546 13.092 6.7567 127.6 18.8 18.9 5.6
2 -1 0 1 8.123 16.246 5.45131 10.9 1.6 1.6 5.6
3 0 -1 1 8.88 17.761 4.9897 35.6 5.2 5.3 5.6
4 0 1 1 9.893 19.785 4.48352 11.6 1.7 1.7 5.6
5 -1 -1 1 10.095 20.19 4.3945 27.8 4.1 4.1 5.6
6 1 0 1 10.367 20.734 4.28042 37.9 5.6 5.6 5.6
7 -1 1 1 11.024 22.047 4.02837 33.8 5.0 5.0 5.6
8 1 -1 1 12.01 24.019 3.70193 14.3 2.1 2.1 5.6
9 1 1 1 12.766 25.532 3.48596 94.6 13.9 13.9 5.6
10 0 0 2 13.18 26.359 3.37835 680.2 100.0 100.0 5.6
11 2 0 0 13.273 26.546 3.35497 657.0 96.6 96.6 5.6
12 -2 0 1 13.347 26.694 3.33669 229.7 33.8 33.8 5.6
13 0 2 0 13.527 27.053 3.29322 67.2 9.9 9.9 5.6
14 -1 -1 2 14.259 28.517 3.12743 191.2 28.1 28.1 5.6
15 0 -2 1 14.421 28.841 3.09301 31.5 4.6 4.6 5.6
16 2 1 0 14.914 29.828 2.99295 10.2 1.5 1.5 5.6
17 -2 1 0 14.949 29.898 2.98602 11.8 1.7 1.7 5.6
18 1 2 0 15.085 30.17 2.9597 433.8 63.8 63.6 5.6
19 -1 2 0 15.12 30.241 2.953 525.4 77.2 77.0 5.6
20 -1 -2 1 15.211 30.421 2.93589 319.1 46.9 46.8 5.6
21 -2 1 1 15.338 30.676 2.91209 30.1 4.4 4.4 5.6
22 0 1 2 15.492 30.985 2.88375 60.3 8.9 8.8 5.6
23 -1 1 2 15.585 31.171 2.86696 26.1 3.8 3.8 5.6
24 0 2 1 15.718 31.436 2.84335 10.8 1.6 1.6 5.6
25 1 0 2 16.173 32.346 2.76547 125.9 18.5 18.4 5.6
26 2 0 1 16.231 32.462 2.7558 228.8 33.6 33.5 5.6
27 -2 0 2 16.416 32.831 2.72565 355.9 52.3 52.0 5.6
28 -1 2 1 16.484 32.968 2.71465 76.5 11.2 11.2 5.6
29 2 -1 1 17.369 34.738 2.58031 12.8 1.9 1.9 5.7
30 1 2 1 17.718 35.437 2.53098 28.5 4.2 4.2 5.7
31 2 1 1 17.902 35.805 2.50581 17.9 2.6 2.6 5.7
32 0 -2 2 17.984 35.968 2.49485 176.5 25.9 25.7 5.7
33 -1 -2 2 18.043 36.086 2.48694 25.5 3.7 3.7 5.7
34 1 1 2 18.134 36.267 2.47492 9.3 1.4 1.4 5.7
35 -2 1 2 18.376 36.751 2.44342 7.8 1.1 1.1 5.7
36 -2 -2 1 18.626 37.252 2.41174 8.6 1.3 1.3 5.7
37 2 2 0 19.104 38.208 2.35356 7.9 1.2 1.1 5.7
38 -2 2 0 19.161 38.322 2.34683 18.3 2.7 2.7 5.7
39 -1 0 3 19.509 39.017 2.30659 79.8 11.7 11.6 5.7
40 -3 0 1 19.641 39.281 2.29169 11.8 1.7 1.7 5.7
41 -2 2 1 19.733 39.465 2.28144 7.1 1.0 1.0 5.7
42 -1 -1 3 19.966 39.932 2.25585 23.0 3.4 3.3 5.7
43 0 0 3 19.999 39.998 2.25223 151.5 22.3 22.0 5.7
44 0 2 2 20.097 40.193 2.24176 43.9 6.4 6.4 5.7
45 3 0 0 20.145 40.289 2.23664 10.9 1.6 1.6 5.7
46 -1 2 2 20.178 40.355 2.23312 95.9 14.1 13.9 5.7
47 1 -2 2 20.362 40.725 2.21372 48.5 7.1 7.0 5.7
48 0 -1 3 20.454 40.908 2.20423 55.2 8.1 8.0 5.7
49 0 3 0 20.539 41.078 2.19548 83.4 12.3 12.1 5.7
50 -3 -1 1 20.581 41.163 2.19117 24.6 3.6 3.6 5.7
51 0 -3 1 20.926 41.852 2.15668 124.2 18.3 18.0 5.7
52 -3 1 1 21.111 42.222 2.13863 63.1 9.3 9.1 5.7
53 3 1 0 21.308 42.617 2.11971 54.5 8.0 7.9 5.7
54 -3 1 0 21.347 42.695 2.11602 17.4 2.6 2.5 5.7
55 -1 1 3 21.456 42.912 2.1058 12.8 1.9 1.9 5.7
56 -1 -3 1 21.498 42.997 2.10187 18.6 2.7 2.7 5.7
57 1 3 0 21.644 43.288 2.08839 46.1 6.8 6.7 5.7
58 -1 3 0 21.683 43.365 2.08486 13.4 2.0 1.9 5.7
59 2 -1 2 21.781 43.561 2.07593 7.4 1.1 1.1 5.7
60 2 2 1 21.825 43.65 2.07193 34.6 5.1 5.0 5.7
61 1 2 2 22.261 44.521 2.03335 60.8 8.9 8.8 5.7
62 1 -3 1 22.559 45.119 2.00781 9.7 1.4 1.4 5.7
63 2 1 2 22.685 45.371 1.99724 61.0 9.0 8.8 5.7
64 3 0 1 22.805 45.61 1.98735 52.7 7.7 7.6 5.7
65 -2 1 3 23.168 46.336 1.95785 22.0 3.2 3.2 5.7
66 -1 -3 2 23.465 46.93 1.93445 14.0 2.1 2.0 5.7
67 -3 -2 1 23.698 47.396 1.91651 184.3 27.1 26.6 5.7
68 3 1 1 24.083 48.167 1.88764 14.5 2.1 2.1 5.7
69 -2 -2 3 24.333 48.666 1.86943 61.4 9.0 8.8 5.7
70 2 -2 2 24.592 49.184 1.85097 76.8 11.3 11.0 5.7
71 -3 2 0 24.637 49.273 1.8478 185.3 27.2 26.6 5.7
72 -3 -2 2 24.821 49.642 1.83495 18.2 2.7 2.6 5.7
73 -1 2 3 25.36 50.719 1.79847 71.9 10.6 10.3 5.8
74 -3 -1 3 25.447 50.893 1.79273 47.6 7.0 6.8 5.8
75 1 -2 3 25.591 51.183 1.78326 30.7 4.5 4.4 5.8
76 0 2 3 25.749 51.498 1.77307 16.0 2.3 2.3 5.8
77 0 3 2 25.998 51.995 1.7573 9.6 1.4 1.4 5.8
78 -1 3 2 26.07 52.139 1.75278 54.8 8.1 7.9 5.8
79 -1 0 4 26.298 52.597 1.73861 28.9 4.3 4.1 5.8
80 -1 -1 4 26.459 52.918 1.72881 52.0 7.6 7.4 5.8
81 -4 0 1 26.494 52.989 1.72665 69.1 10.2 9.9 5.8
82 -3 2 2 26.556 53.113 1.72292 229.4 33.7 32.8 5.8
83 -3 1 3 26.717 53.435 1.71329 7.7 1.1 1.1 5.8
84 -2 2 3 26.886 53.772 1.70334 18.0 2.6 2.6 5.8
85 2 0 3 27.059 54.117 1.69329 62.3 9.2 8.9 5.8
86 0 0 4 27.13 54.26 1.68917 7.9 1.2 1.1 5.8
87 2 3 1 27.225 54.449 1.68375 54.0 7.9 7.7 5.8
88 3 2 1 27.286 54.572 1.68025 60.7 8.9 8.7 5.8
89 -2 0 4 27.344 54.688 1.67694 21.3 3.1 3.0 5.8
90 2 -1 3 27.432 54.864 1.672 9.7 1.4 1.4 5.8
91 -4 0 2 27.497 54.994 1.66834 47.9 7.0 6.8 5.8
92 0 -3 3 27.589 55.177 1.66323 39.6 5.8 5.7 5.8
93 3 -1 2 27.699 55.398 1.65712 13.0 1.9 1.9 5.8
94 -3 -2 3 27.756 55.513 1.65398 51.4 7.6 7.3 5.8
95 1 3 2 27.799 55.598 1.65165 20.1 3.0 2.9 5.8
96 0 4 0 27.891 55.783 1.64661 12.2 1.8 1.7 5.8
97 1 2 3 27.999 55.997 1.64082 77.8 11.4 11.1 5.8
98 -4 -1 2 28.031 56.062 1.63906 7.1 1.1 1.0 5.8
99 -1 1 4 28.07 56.139 1.637 11.8 1.7 1.7 5.8
100 -1 -4 1 28.462 56.924 1.61628 13.5 2.0 1.9 5.8
101 -1 -2 4 28.529 57.058 1.61281 18.2 2.7 2.6 5.8
102 2 1 3 28.589 57.178 1.6097 41.3 6.1 5.9 5.8
103 -2 -3 3 28.623 57.246 1.60796 30.6 4.5 4.3 5.8
104 0 1 4 28.861 57.723 1.5958 27.7 4.1 3.9 5.8
105 2 -3 2 29.067 58.134 1.58548 18.8 2.8 2.7 5.8
106 -3 -3 2 29.246 58.491 1.57665 10.3 1.5 1.5 5.8
107 0 -2 4 29.328 58.656 1.57261 58.7 8.6 8.3 5.8
108 -2 -2 4 29.511 59.023 1.56372 22.9 3.4 3.3 5.8
109 0 4 1 29.548 59.096 1.56195 18.1 2.7 2.6 5.8
110 2 -2 3 29.661 59.322 1.55653 20.0 2.9 2.8 5.8
111 1 -3 3 29.769 59.538 1.55141 7.0 1.0 1.0 5.8
112 4 0 1 29.913 59.826 1.54463 62.4 9.2 8.9 5.8
113 -1 4 1 30.032 60.063 1.53909 14.2 2.1 2.0 5.8
114 3 -2 2 30.109 60.217 1.53552 43.8 6.4 6.2 5.8
115 -4 0 3 30.219 60.438 1.53044 14.1 2.1 2.0 5.8
116 -2 -4 1 30.667 61.333 1.51023 64.2 9.4 9.1 5.8
117 0 3 3 31.025 62.049 1.49451 23.8 3.5 3.4 5.8
118 1 1 4 31.366 62.733 1.47986 7.3 1.1 1.0 5.9
119 -2 4 0 31.446 62.892 1.4765 21.3 3.1 3.0 5.9
120 1 -4 2 31.563 63.126 1.47159 44.3 6.5 6.3 5.9
121 3 3 1 32.022 64.044 1.45269 23.6 3.5 3.3 5.9
122 -3 -2 4 32.174 64.349 1.44654 17.0 2.5 2.4 5.9
123 -1 -3 4 32.269 64.538 1.44276 22.7 3.3 3.2 5.9
124 -1 -4 3 32.957 65.913 1.41595 13.2 1.9 1.9 5.9
125 1 3 3 33.037 66.074 1.4129 42.1 6.2 5.9 5.9
126 4 -2 1 33.106 66.212 1.41028 8.2 1.2 1.1 5.9
127 2 4 1 33.692 67.383 1.38859 22.1 3.3 3.1 5.9
128 -2 -1 5 34.133 68.266 1.37276 7.7 1.1 1.1 5.9
129 1 4 2 34.379 68.758 1.36413 9.0 1.3 1.3 5.9
130 -3 -4 1 34.42 68.841 1.3627 75.5 11.1 10.6 5.9
131 -2 4 2 34.576 69.152 1.35733 47.5 7.0 6.6 5.9
132 1 2 4 34.649 69.299 1.35481 10.4 1.5 1.5 5.9
133 3 -2 3 35.035 70.07 1.34176 34.4 5.1 4.8 5.9
134 1 -4 3 35.293 70.586 1.33322 8.6 1.3 1.2 5.9
135 -3 4 0 35.569 71.139 1.32421 29.1 4.3 4.1 5.9
136 -2 -2 5 35.76 71.521 1.31808 27.7 4.1 3.9 5.9
137 2 -2 4 35.826 71.652 1.31599 9.3 1.4 1.3 5.9
138 -4 1 4 35.959 71.918 1.31177 15.0 2.2 2.1 5.9
139 -3 -1 5 36.249 72.497 1.30271 9.7 1.4 1.4 5.9
140 -4 -2 4 36.32 72.64 1.3005 8.8 1.3 1.2 6.0
141 0 1 5 36.439 72.879 1.29683 32.8 4.8 4.6 6.0
142 -4 3 2 36.526 73.051 1.29419 9.6 1.4 1.3 6.0
143 2 3 3 36.58 73.16 1.29254 12.9 1.9 1.8 6.0
144 4 -2 2 36.659 73.317 1.29015 16.4 2.4 2.3 6.0
145 -5 -2 1 36.85 73.7 1.2844 10.4 1.5 1.4 6.0
146 3 2 3 37.034 74.068 1.27892 26.9 3.9 3.7 6.0
147 -3 -4 3 37.078 74.157 1.27761 35.5 5.2 4.9 6.0
148 1 -1 5 37.386 74.773 1.2686 8.1 1.2 1.1 6.0
149 -1 -4 4 37.426 74.851 1.26747 14.1 2.1 2.0 6.0
150 0 4 3 37.46 74.92 1.26648 24.1 3.5 3.3 6.0
151 2 4 2 37.494 74.988 1.26549 13.1 1.9 1.8 6.0
152 -5 2 1 37.618 75.235 1.26195 17.5 2.6 2.4 6.0
153 5 0 1 37.672 75.345 1.26039 12.2 1.8 1.7 6.0
154 -3 4 2 37.811 75.621 1.25646 7.2 1.1 1.0 6.0
155 5 2 0 38.257 76.514 1.24401 18.6 2.7 2.6 6.0
156 -5 2 2 38.422 76.845 1.23948 28.4 4.2 3.9 6.0
157 3 -3 3 38.625 77.251 1.23398 10.2 1.5 1.4 6.0
158 -5 -2 3 38.656 77.312 1.23315 24.2 3.6 3.3 6.0
159 -2 -5 2 38.798 77.596 1.22934 17.9 2.6 2.5 6.0
160 2 5 0 38.873 77.746 1.22736 12.3 1.8 1.7 6.0
161 2 -3 4 39.218 78.437 1.21826 16.7 2.4 2.3 6.0
162 3 -1 4 39.441 78.883 1.21249 7.4 1.1 1.0 6.0
163 3 -4 2 39.516 79.031 1.21059 63.2 9.3 8.7 6.0
164 2 -5 1 39.618 79.235 1.20798 9.6 1.4 1.3 6.0
165 0 2 5 39.701 79.403 1.20585 8.0 1.2 1.1 6.0
166 -3 3 4 39.812 79.623 1.20306 18.0 2.6 2.5 6.0
167 1 -4 4 40.375 80.749 1.1891 17.4 2.6 2.4 6.1
168 5 -2 1 40.587 81.175 1.18394 20.0 2.9 2.7 6.1
169 -5 -3 2 40.643 81.285 1.18261 29.4 4.3 4.0 6.1
170 -5 -3 1 40.676 81.353 1.1818 10.3 1.5 1.4 6.1
171 -5 2 3 40.735 81.469 1.1804 28.6 4.2 3.9 6.1
172 -4 4 0 41.029 82.058 1.17341 8.2 1.2 1.1 6.1
173 5 2 1 41.157 82.313 1.17042 17.3 2.5 2.4 6.1
174 -4 -2 5 41.396 82.792 1.16487 16.9 2.5 2.3 6.1
175 -4 1 5 41.542 83.084 1.16152 20.7 3.0 2.8 6.1
176 -1 -1 6 41.574 83.148 1.16078 45.4 6.7 6.2 6.1
177 5 0 2 41.758 83.515 1.15661 7.3 1.1 1.0 6.1
178 -6 0 1 42.14 84.28 1.14806 36.3 5.3 4.9 6.1
179 -2 5 2 42.187 84.374 1.14701 9.1 1.3 1.2 6.1
180 -4 4 2 42.474 84.949 1.14072 28.2 4.1 3.8 6.1
181 2 4 3 42.663 85.327 1.13663 17.7 2.6 2.4 6.1
182 2 -2 5 43.068 86.136 1.12801 25.9 3.8 3.5 6.1
183 2 1 5 43.134 86.267 1.12663 37.0 5.4 5.0 6.1
184 -3 -1 6 43.344 86.688 1.12224 13.3 2.0 1.8 6.1
185 -1 3 5 43.453 86.906 1.11999 18.7 2.8 2.5 6.1
186 -3 0 6 43.551 87.102 1.11796 17.9 2.6 2.4 6.1
187 -2 1 6 43.68 87.36 1.11533 19.3 2.8 2.6 6.2
188 -4 3 4 43.715 87.431 1.11461 21.9 3.2 2.9 6.2
189 -6 0 3 43.833 87.666 1.11223 45.4 6.7 6.1 6.2
190 0 -6 1 44.331 88.661 1.10229 26.1 3.8 3.5 6.2
191 -4 -3 5 44.492 88.983 1.09913 17.5 2.6 2.3 6.2
192 -1 -6 1 44.704 89.407 1.09502 21.5 3.2 2.9 6.2
193 -1 5 3 44.798 89.596 1.09321 13.3 2.0 1.8 6.2
194 0 1 6 44.92 89.84 1.09086 30.0 4.4 4.0 6.2
195 -5 0 5 44.952 89.903 1.09026 11.7 1.7 1.6 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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