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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MAGNIOTRIPLITE
1, f-apatite, g-wagnerite, DF
(Mg,Fe)(2)PO(4)(F,OH)
Monoclinic I 2/a Z = 8
R =0.033
15 .10 .1996
Ref.Str.:
Tadini C.(1981)
* Bull. Mineral., 104, 677-680
Reserv:
[Mg(0.89)Fe(0.87)Mn(0.23)Ti(0.01)]PO(4)[F(0.68)(OH)(0.31)]
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.035 alpha = 90.0
b = 6.432 beta = 108.12
c = 9.799 gamma = 90.0
Unit cell volume (cub. angs.) = 720.91
Molar volume ( cub.cm/mol.) = 54.28
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1906 0.9773 0.1964 1.61 Mg = 0.29, Fe = 0.71
2 0.0917 0.1436 0.6553 1.64 Mg = 0.6 , Fe = 0.4
3 0.0753 0.6517 0.381 1.05 P = 1.00
4 0.0557 0.8294 0.4758 1.68 O = 1.00
5 0.9612 0.6029 0.2629 1.58 O = 1.00
6 0.1699 0.7099 0.313 1.74 O = 1.00
7 0.1174 0.4645 0.478 1.37 O = 1.00
8 0.2588 0.0992 0.4134 1.99 F = 0.34, O = 0.16
9 0.2832 0.1698 0.3343 2.1 F = 0.35, O = 0.15
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1906 0.9773 0.1964
2 2 0.0917 0.1436 0.6553
3 3 0.0753 0.6517 0.381
4 4 0.0557 0.8294 0.4758
5 5 0.9612 0.6029 0.2629
6 6 0.1699 0.7099 0.313
7 7 0.1174 0.4645 0.478
8 8 0.2588 0.0992 0.4134
9 9 0.2832 0.1698 0.3343
10 1 0.8094 0.0227 0.8036
11 2 0.9083 0.8564 0.3447
12 3 0.9247 0.3483 0.619
13 4 0.9443 0.1706 0.5242
14 5 0.0388 0.3971 0.7371
15 6 0.8301 0.2901 0.687
16 7 0.8826 0.5355 0.522
17 8 0.7412 0.9008 0.5866
18 9 0.7168 0.8302 0.6657
19 1 0.3094 0.5227 0.3036
20 2 0.4083 0.3564 0.8447
21 3 0.4247 0.8483 0.119
22 4 0.4443 0.6706 0.0242
23 5 0.5388 0.8971 0.2371
24 6 0.3301 0.7901 0.187
25 7 0.3826 0.0355 0.022
26 8 0.2412 0.4008 0.0866
27 9 0.2168 0.3302 0.1657
28 1 0.6906 0.4773 0.6964
29 2 0.5917 0.6436 0.1553
30 3 0.5753 0.1517 0.881
31 4 0.5557 0.3294 0.9758
32 5 0.4612 0.1029 0.7629
33 6 0.6699 0.2099 0.813
34 7 0.6174 0.9645 0.978
35 8 0.7588 0.5992 0.9134
36 9 0.7832 0.6698 0.8343
37 1 0.3094 0.9773 0.8036
38 2 0.4083 0.1436 0.3447
39 3 0.4247 0.6517 0.619
40 4 0.4443 0.8294 0.5242
41 5 0.5388 0.6029 0.7371
42 6 0.3301 0.7099 0.687
43 7 0.3826 0.4645 0.522
44 8 0.2412 0.0992 0.5866
45 9 0.2168 0.1698 0.6657
46 1 0.6906 0.0227 0.1964
47 2 0.5917 0.8564 0.6553
48 3 0.5753 0.3483 0.381
49 4 0.5557 0.1706 0.4758
50 5 0.4612 0.3971 0.2629
51 6 0.6699 0.2901 0.313
52 7 0.6174 0.5355 0.478
53 8 0.7588 0.9008 0.4134
54 9 0.7832 0.8302 0.3343
55 1 0.1906 0.5227 0.6964
56 2 0.0917 0.3564 0.1553
57 3 0.0753 0.8483 0.881
58 4 0.0557 0.6706 0.9758
59 5 0.9612 0.8971 0.7629
60 6 0.1699 0.7901 0.813
61 7 0.1174 0.0355 0.978
62 8 0.2588 0.4008 0.9134
63 9 0.2832 0.3302 0.8343
64 1 0.8094 0.4773 0.3036
65 2 0.9083 0.6436 0.8447
66 3 0.9247 0.1517 0.119
67 4 0.9443 0.3294 0.0242
68 5 0.0388 0.1029 0.2371
69 6 0.8301 0.2099 0.187
70 7 0.8826 0.9645 0.022
71 8 0.7412 0.5992 0.0866
72 9 0.7168 0.6698 0.1657
X-ray density (g/cm cub.) = 3.62
MU (1/cm) = 427.941 Mass attenuation coefficient (cm**2/g) = 118.128
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 7
2.122 6
2.1736 8
1.9142 9
2.0912 6
2.324 9
2.0793 7
2.1453 5
2 Mg ,Fe 2.592 4
1.8466 4
2.0059 5
2.1273 8
1.4866 9
3 P 2.232 4
1.5366 4
1.5281 5
1.5337 6
1.52 7
4 O 3.264 11
2.5084 5
2.5275 6
2.4598 7
3.2077 8
2.6896 4
2.9504 7
2.7689 8
3.1259 9
3.1384 9
3.1695 6
2.8829 5
5 O 3.264 10
2.5084 4
2.5013 6
2.5109 7
3.0038 7
2.8545 9
2.8829 4
2.95 6
3.2385 7
2.674 8
2.8287 9
6 O 3.264 10
2.5275 4
2.5013 5
2.4779 7
2.7799 8
3.2367 9
2.6436 6
2.9788 9
3.1587 7
3.1695 4
2.95 5
7 O 3.264 12
2.4598 4
2.5109 5
2.4779 6
3.0802 8
2.9504 4
3.0038 5
3.0228 7
3.1587 6
3.0849 7
2.8083 8
2.653 9
3.2385 5
8 F ,O 3.264 10
3.2077 4
2.7799 6
3.0802 7
1.0173 9
2.7552 9
2.7689 4
2.8083 7
1.7745 8
2.7113 9
2.674 5
9 F ,O 3.264 11
3.2367 6
1.0173 8
2.9788 6
2.7552 8
1.9003 9
3.1259 4
2.653 7
2.7113 8
3.1384 4
2.8545 5
2.8287 5
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 2 0 0 7.74 15.481 0.087 107.3 2 11.2 5.1
2 1 1 0 7.897 15.794 0.089 103.0 4 11.7 10.8
3 0 1 1 8.369 16.737 0.094 91.48 4 61.1 263.0
4 0 0 2 9.522 19.043 0.107 70.17 2 140.3 531.3
5 2 0 -2 10.247 20.494 0.115 60.29 2 125.4 365.1
6 2 1 -1 10.369 20.738 0.117 58.83 4 9.6 4.2
7 1 1 -2 11.436 22.872 0.129 47.99 4 169.7 1064.1
8 2 1 1 12.419 24.839 0.14 40.37 4 16.1 8.0
9 1 1 2 13.332 26.663 0.15 34.76 4 171.8 789.7
10 3 1 0 13.583 27.166 0.152 33.41 4 24.2 15.0
11 0 2 0 13.858 27.716 0.155 32.02 2 55.6 38.1
12 2 0 2 14.102 28.203 0.158 30.86 2 42.9 21.9
13 3 1 -2 14.387 28.773 0.161 29.57 4 61.9 87.1
14 1 2 -1 14.803 29.606 0.166 27.82 4 92.5 183.1
15 1 2 1 15.588 31.176 0.174 24.9 4 71.7 98.5
16 4 0 -2 15.588 31.176 0.174 24.9 2 122.7 144.2
17 4 0 0 15.627 31.254 0.175 24.77 2 75.6 54.5
18 2 1 -3 15.704 31.408 0.176 24.51 4 58.1 63.7
19 2 2 0 15.949 31.899 0.178 23.7 4 93.5 159.5
20 0 1 3 15.993 31.986 0.179 23.56 4 59.8 64.7
21 4 1 -1 16.418 32.836 0.183 22.26 4 188.4 608.3
22 0 2 2 16.923 33.846 0.189 20.85 4 45.1 32.6
23 2 2 -2 17.359 34.717 0.194 19.72 4 88.0 117.5
24 3 2 -1 17.916 35.832 0.2 18.41 4 99.3 139.8
25 2 0 -4 18.423 36.847 0.205 17.31 2 168.1 188.3
26 3 1 2 18.749 37.497 0.209 16.66 4 99.1 126.0
27 4 1 -3 19.084 38.168 0.212 16.02 4 69.6 59.7
28 4 1 1 19.149 38.298 0.213 15.9 4 80.6 79.5
29 0 0 4 19.32 38.639 0.215 15.59 2 38.8 9.0
30 1 2 -3 19.65 39.299 0.218 15.01 4 166.6 320.6
31 1 1 -4 19.776 39.551 0.22 14.8 4 21.7 5.4
32 2 1 3 19.809 39.617 0.22 14.75 4 158.8 286.3
33 3 2 1 19.861 39.721 0.221 14.66 4 39.1 17.2
34 2 2 2 19.978 39.956 0.222 14.47 4 39.1 17.0
35 5 1 -2 20.306 40.613 0.225 13.96 4 8.0 0.7
36 3 1 -4 20.534 41.068 0.228 13.61 4 23.4 5.8
37 4 0 -4 20.842 41.683 0.231 13.17 2 35.5 6.4
38 4 0 2 20.933 41.865 0.232 13.04 2 57.0 16.3
39 5 1 0 20.939 41.879 0.232 13.03 4 14.8 2.2
40 3 2 -3 21.012 42.024 0.233 12.93 4 152.8 232.5
41 4 2 -2 21.098 42.196 0.234 12.81 4 121.8 146.4
42 4 2 0 21.128 42.256 0.234 12.77 4 11.6 1.3
43 1 3 0 21.44 42.88 0.237 12.36 4 35.4 11.9
44 1 2 3 21.461 42.923 0.237 12.33 4 124.2 146.4
45 0 3 1 21.634 43.267 0.239 12.11 4 95.1 84.3
46 1 1 4 22.153 44.306 0.245 11.48 4 55.9 27.6
47 2 3 -1 22.555 45.11 0.249 11.03 4 155.6 205.5
48 6 0 -2 22.71 45.421 0.251 10.86 2 55.8 13.0
49 1 3 -2 23.109 46.219 0.255 10.44 4 2.9 0.1
50 2 0 4 23.21 46.419 0.256 10.33 2 133.5 70.9
51 2 2 -4 23.362 46.724 0.257 10.18 4 82.6 53.5
52 5 2 -1 23.599 47.197 0.26 9.95 4 49.0 18.4
53 2 3 1 23.655 47.31 0.26 9.9 4 183.2 255.8
54 6 0 0 23.832 47.664 0.262 9.73 2 95.9 34.4
55 6 1 -1 23.863 47.726 0.263 9.7 4 137.7 141.7
56 0 2 4 24.107 48.214 0.265 9.48 4 80.1 46.9
57 5 1 -4 24.188 48.376 0.266 9.41 4 11.7 1.0
58 1 3 2 24.19 48.38 0.266 9.41 4 51.1 18.9
59 2 1 -5 24.263 48.526 0.267 9.35 4 47.7 16.4
60 3 3 0 24.342 48.684 0.268 9.28 4 54.4 21.2
61 3 3 -2 24.84 49.679 0.273 8.86 4 79.7 43.3
62 6 1 -3 24.865 49.731 0.273 8.84 4 145.8 144.6
63 5 2 -3 25.13 50.259 0.276 8.63 4 65.2 28.2
64 4 2 -4 25.397 50.795 0.278 8.42 4 90.1 52.6
65 4 2 2 25.476 50.951 0.279 8.36 4 11.0 0.8
66 0 1 5 25.502 51.004 0.279 8.34 4 94.7 57.7
67 2 3 -3 25.695 51.391 0.281 8.2 4 85.1 45.7
68 4 1 -5 25.742 51.484 0.282 8.17 4 95.9 57.8
69 6 0 -4 25.81 51.621 0.283 8.12 2 50.4 7.9
70 5 1 2 25.822 51.644 0.283 8.11 4 149.1 138.8
71 4 1 3 25.845 51.691 0.283 8.09 4 53.3 17.7
72 0 3 3 25.889 51.778 0.283 8.06 4 49.6 15.3
73 3 2 3 25.91 51.82 0.284 8.05 4 95.6 56.6
74 4 3 -1 26.178 52.356 0.286 7.86 4 55.3 18.5
75 5 2 1 26.199 52.397 0.287 7.85 4 20.4 2.5
76 6 1 1 26.938 53.876 0.294 7.37 4 61.2 21.3
77 3 1 4 27.006 54.011 0.295 7.32 4 54.8 16.9
78 6 2 -2 27.022 54.044 0.295 7.31 4 29.6 4.9
79 2 2 4 27.463 54.925 0.299 7.05 4 72.8 28.8
80 7 1 -2 27.654 55.308 0.301 6.94 4 100.1 53.5
81 1 2 -5 27.667 55.334 0.301 6.93 4 29.0 4.5
82 3 2 -5 27.781 55.561 0.303 6.87 4 75.4 30.0
83 3 3 2 27.837 55.673 0.303 6.84 4 3.9 0.1
84 6 2 0 28.016 56.031 0.305 6.74 4 65.5 22.2
85 4 3 -3 28.085 56.17 0.306 6.7 4 92.9 44.5
86 4 3 1 28.133 56.267 0.306 6.67 4 22.2 2.5
87 2 0 -6 28.168 56.336 0.306 6.65 2 6.0 0.1
88 1 3 -4 28.604 57.208 0.311 6.43 4 4.1 0.1
89 0 4 0 28.622 57.244 0.311 6.42 2 60.5 9.0
90 2 3 3 28.629 57.258 0.311 6.41 4 69.5 23.8
91 6 0 2 28.808 57.616 0.313 6.32 2 91.9 20.6
92 5 3 -2 29.009 58.018 0.315 6.23 4 36.7 6.4
93 4 0 -6 29.043 58.087 0.315 6.21 2 117.9 33.2
94 7 1 0 29.103 58.205 0.316 6.18 4 83.6 33.2
95 1 4 -1 29.158 58.316 0.316 6.15 4 31.4 4.7
96 4 0 4 29.162 58.325 0.316 6.15 2 39.3 3.7
97 3 3 -4 29.184 58.368 0.317 6.14 4 86.7 35.5
98 2 1 5 29.21 58.419 0.317 6.13 4 144.6 98.7
99 3 1 -6 29.271 58.543 0.317 6.1 4 37.9 6.8
100 5 3 0 29.498 58.996 0.32 6.0 4 20.2 1.9
101 1 4 1 29.622 59.244 0.321 5.94 4 10.3 0.5
102 1 1 -6 29.626 59.251 0.321 5.94 4 48.3 10.7
103 6 1 -5 29.647 59.295 0.321 5.93 4 116.9 62.3
104 0 0 6 29.753 59.506 0.322 5.88 2 116.9 30.9
105 6 2 -4 29.797 59.594 0.323 5.86 4 61.1 16.9
106 2 4 0 29.842 59.683 0.323 5.84 4 123.2 68.3
107 7 1 -4 29.934 59.869 0.324 5.8 4 25.4 2.9
108 1 2 5 30.016 60.033 0.325 5.77 4 34.5 5.3
109 5 2 -5 30.34 60.68 0.328 5.63 4 92.2 36.9
110 0 4 2 30.45 60.9 0.329 5.58 4 21.0 1.9
111 1 3 4 30.456 60.912 0.329 5.58 4 10.4 0.5
112 2 4 -2 30.73 61.46 0.332 5.47 4 69.4 20.3
113 7 2 -1 30.799 61.598 0.332 5.45 4 18.9 1.5
114 8 0 -2 30.799 61.598 0.332 5.45 2 29.2 1.8
115 3 4 -1 31.095 62.19 0.335 5.33 4 7.5 0.2
116 7 2 -3 31.203 62.406 0.336 5.29 4 3.9 0.1
117 5 1 -6 31.31 62.62 0.337 5.25 4 50.4 10.3
118 6 3 -1 31.845 63.691 0.342 5.06 4 49.6 9.6
119 2 2 -6 31.961 63.922 0.344 5.02 4 22.7 2.0
120 5 3 -4 32.115 64.23 0.345 4.97 4 49.4 9.3
121 8 1 -3 32.14 64.279 0.345 4.96 4 140.3 75.1
122 2 3 -5 32.177 64.354 0.346 4.95 4 125.9 60.3
123 8 1 -1 32.184 64.369 0.346 4.94 4 37.3 5.3
124 5 2 3 32.221 64.441 0.346 4.93 4 24.8 2.3
125 6 0 -6 32.254 64.508 0.346 4.92 2 80.2 12.2
126 1 4 -3 32.278 64.555 0.347 4.91 4 2.8 0.0
127 1 1 6 32.326 64.651 0.347 4.9 4 27.0 2.8
128 3 4 1 32.426 64.852 0.348 4.86 4 101.9 38.9
129 2 4 2 32.509 65.018 0.349 4.84 4 61.4 14.1
130 8 0 -4 32.509 65.018 0.349 4.84 2 100.2 18.7
131 6 2 2 32.556 65.111 0.349 4.82 4 84.9 26.7
132 8 0 0 32.598 65.196 0.35 4.81 2 144.3 38.5
133 6 3 -3 32.68 65.36 0.35 4.78 4 26.8 2.6
134 4 2 -6 32.775 65.55 0.351 4.75 4 95.6 33.4
135 4 2 4 32.886 65.772 0.352 4.72 4 128.0 59.5
136 0 3 5 33.217 66.434 0.356 4.62 4 141.8 71.5
137 3 4 -3 33.253 66.506 0.356 4.61 4 29.0 3.0
138 6 1 3 33.307 66.614 0.356 4.59 4 20.8 1.5
139 4 4 -2 33.316 66.631 0.357 4.59 4 45.1 7.2
140 4 4 0 33.338 66.676 0.357 4.58 4 12.0 0.5
141 4 3 -5 33.421 66.842 0.358 4.56 4 95.5 32.0
142 0 2 6 33.438 66.876 0.358 4.56 4 0.0 0.0
143 5 3 2 33.489 66.979 0.358 4.54 4 75.2 19.8
144 4 3 3 33.509 67.018 0.358 4.53 4 91.7 29.3
145 1 4 3 33.583 67.166 0.359 4.51 4 30.8 3.3
146 2 0 6 33.584 67.168 0.359 4.51 2 54.4 5.1
147 5 1 4 33.614 67.228 0.359 4.51 4 29.1 2.9
148 7 2 1 33.875 67.751 0.362 4.43 4 56.5 10.9
149 7 1 2 33.983 67.967 0.363 4.4 4 78.1 20.7
150 2 1 -7 34.4 68.799 0.367 4.29 4 36.8 4.5
151 8 2 -2 34.422 68.844 0.367 4.29 4 93.4 28.8
152 6 3 1 34.448 68.896 0.367 4.28 4 54.6 9.8
153 3 3 4 34.507 69.013 0.368 4.27 4 12.8 0.5
154 3 2 5 34.522 69.044 0.368 4.26 4 55.6 10.1
155 4 1 -7 34.762 69.525 0.37 4.2 4 39.2 5.0
156 4 1 5 34.892 69.784 0.371 4.17 4 56.2 10.1
157 2 4 -4 35.022 70.044 0.373 4.14 4 11.0 0.4
158 7 2 -5 35.022 70.044 0.373 4.14 4 13.3 0.6
159 7 3 -2 35.071 70.142 0.373 4.13 4 12.6 0.5
160 5 4 -1 35.206 70.411 0.374 4.1 4 28.5 2.6
161 8 1 -5 35.489 70.977 0.377 4.03 4 50.3 7.9
162 7 1 -6 35.506 71.013 0.377 4.03 4 120.4 45.0
163 0 4 4 35.603 71.207 0.378 4.01 4 90.1 25.0
164 8 1 1 35.617 71.234 0.378 4.0 4 73.4 16.6
165 6 2 -6 35.8 71.6 0.38 3.96 4 85.6 22.4
166 8 2 -4 36.043 72.085 0.382 3.91 4 27.4 2.3
167 9 1 -2 36.072 72.144 0.382 3.9 4 13.1 0.5
168 8 2 0 36.128 72.255 0.383 3.89 4 11.2 0.4
169 0 1 7 36.244 72.488 0.384 3.87 4 63.9 12.2
170 7 3 0 36.349 72.698 0.385 3.85 4 30.3 2.7
171 5 4 -3 36.418 72.836 0.385 3.83 4 84.7 21.2
172 2 3 5 36.444 72.889 0.386 3.83 4 103.0 31.2
173 3 3 -6 36.499 72.999 0.386 3.82 4 7.2 0.2
174 6 0 4 36.623 73.246 0.387 3.79 2 150.2 32.9
175 4 4 -4 36.634 73.268 0.387 3.79 4 35.3 3.6
176 4 4 2 36.697 73.395 0.388 3.78 4 2.1 0.0
177 1 3 -6 36.816 73.632 0.389 3.75 4 37.2 4.0
178 6 3 -5 36.836 73.671 0.389 3.75 4 48.1 6.7
179 3 2 -7 36.908 73.815 0.39 3.74 4 68.5 13.5
180 3 4 3 37.051 74.102 0.391 3.71 4 82.4 19.4
181 1 5 0 37.054 74.107 0.391 3.71 4 44.2 5.6
182 2 2 6 37.07 74.14 0.391 3.71 4 51.3 7.5
183 7 3 -4 37.093 74.186 0.391 3.7 4 25.1 1.8
184 3 1 6 37.096 74.192 0.392 3.7 4 42.0 5.0
185 0 5 1 37.191 74.382 0.392 3.68 4 34.6 3.4
186 9 1 -4 37.252 74.504 0.393 3.67 4 15.8 0.7
187 5 4 1 37.287 74.575 0.393 3.67 4 43.1 5.2
188 6 1 -7 37.304 74.609 0.393 3.66 4 32.6 3.0
189 8 0 -6 37.478 74.956 0.395 3.63 2 54.7 4.2
190 1 2 -7 37.634 75.269 0.396 3.61 4 83.9 19.5
191 8 0 2 37.645 75.291 0.396 3.6 2 119.2 19.7
192 2 5 -1 37.856 75.712 0.398 3.57 4 12.3 0.4
193 6 4 -2 37.969 75.939 0.399 3.55 4 6.3 0.1
194 9 1 0 38.156 76.312 0.401 3.52 4 26.7 1.9
195 1 5 -2 38.264 76.528 0.402 3.5 4 174.8 82.4
196 5 2 -7 38.333 76.666 0.403 3.49 4 82.7 18.4
197 2 4 4 38.339 76.677 0.403 3.49 4 1.0 0.0
198 5 3 -6 38.339 76.678 0.403 3.49 4 24.7 1.6
199 1 4 -5 38.511 77.021 0.404 3.46 4 28.0 2.1
200 3 4 -5 38.607 77.213 0.405 3.45 4 35.9 3.4
201 2 5 1 38.672 77.345 0.406 3.44 4 42.0 4.7
202 6 4 0 38.806 77.612 0.407 3.42 4 136.5 49.0
203 9 2 -3 38.806 77.612 0.407 3.42 4 81.0 17.3
204 1 5 2 39.078 78.156 0.409 3.38 4 37.0 3.6
205 8 3 -3 39.099 78.199 0.409 3.38 4 8.0 0.2
206 8 3 -1 39.141 78.281 0.41 3.37 4 66.5 11.5
207 3 5 0 39.194 78.388 0.41 3.36 4 50.0 6.5
208 4 0 -8 39.203 78.406 0.41 3.36 2 29.4 1.1
209 9 2 -1 39.253 78.506 0.411 3.35 4 118.9 36.5
210 2 0 -8 39.262 78.525 0.411 3.35 2 119.8 18.5
211 1 3 6 39.271 78.542 0.411 3.35 4 31.5 2.6
212 4 0 6 39.348 78.695 0.412 3.34 2 29.9 1.1
213 3 5 -2 39.578 79.157 0.414 3.31 4 6.5 0.1
214 3 1 -8 39.805 79.61 0.416 3.28 4 23.4 1.4
215 10 0 -2 39.907 79.814 0.416 3.27 2 26.9 0.9
216 6 2 4 40.003 80.007 0.417 3.25 4 19.7 1.0
217 7 2 3 40.043 80.086 0.418 3.25 4 54.0 7.3
218 2 1 7 40.175 80.351 0.419 3.23 4 2.4 0.0
219 6 3 3 40.18 80.36 0.419 3.23 4 3.4 0.0
220 2 5 -3 40.249 80.499 0.419 3.22 4 22.4 1.2
221 6 4 -4 40.341 80.681 0.42 3.21 4 100.6 25.0
222 0 5 3 40.403 80.806 0.421 3.21 4 60.0 8.9
223 5 3 4 40.466 80.932 0.421 3.2 4 63.6 9.9
224 1 2 7 40.475 80.951 0.421 3.2 4 104.8 27.0
225 1 4 5 40.533 81.066 0.422 3.19 4 5.4 0.1
226 4 5 -1 40.634 81.268 0.423 3.18 4 47.2 5.5
227 10 0 -4 40.651 81.301 0.423 3.18 2 6.0 0.0
228 10 1 -3 40.714 81.429 0.423 3.17 4 25.5 1.6
229 5 1 -8 40.8 81.599 0.424 3.16 4 22.0 1.2
230 7 3 2 40.812 81.624 0.424 3.16 4 37.9 3.5
231 5 4 -5 40.817 81.634 0.424 3.16 4 42.0 4.3
232 8 2 -6 40.836 81.673 0.424 3.16 4 7.2 0.1
233 5 2 5 40.882 81.765 0.425 3.15 4 44.1 4.7
234 1 1 -8 40.917 81.834 0.425 3.15 4 28.9 2.0
235 8 2 2 41.0 82.0 0.426 3.14 4 55.7 7.5
236 2 3 -7 41.203 82.405 0.428 3.12 4 44.2 4.7
237 7 4 -1 41.223 82.447 0.428 3.11 4 45.9 5.0
238 6 0 -8 41.253 82.505 0.428 3.11 2 133.8 21.4
239 0 0 8 41.428 82.856 0.43 3.09 2 1.6 0.0
240 9 2 -5 41.544 83.088 0.43 3.08 4 31.9 2.4
241 4 3 -7 41.544 83.089 0.43 3.08 4 114.3 31.0
242 10 1 -1 41.557 83.113 0.431 3.08 4 25.2 1.5
243 7 4 -3 41.583 83.166 0.431 3.08 4 1.5 0.0
244 9 1 -6 41.604 83.208 0.431 3.08 4 30.7 2.2
245 4 3 5 41.667 83.333 0.432 3.07 4 41.9 4.2
246 7 1 4 41.728 83.457 0.432 3.06 4 14.6 0.5
247 7 2 -7 41.844 83.688 0.433 3.05 4 42.3 4.2
248 8 1 -7 41.887 83.774 0.433 3.05 4 44.4 4.6
249 3 5 2 41.987 83.974 0.434 3.04 4 50.6 6.0
250 8 1 3 42.09 84.181 0.435 3.03 4 64.4 9.7
251 4 5 -3 42.194 84.388 0.436 3.02 4 40.1 3.7
252 8 3 -5 42.232 84.464 0.436 3.02 4 23.8 1.3
253 4 5 1 42.234 84.469 0.436 3.02 4 26.0 1.6
254 7 3 -6 42.249 84.498 0.436 3.02 4 51.7 6.2
255 2 4 -6 42.263 84.527 0.437 3.01 4 21.1 1.0
256 6 1 5 42.278 84.556 0.437 3.01 4 41.6 4.0
257 10 0 0 42.332 84.665 0.437 3.01 2 64.5 4.8
258 8 3 1 42.354 84.708 0.437 3.01 4 78.6 14.3
259 5 4 3 42.498 84.996 0.439 2.99 4 10.4 0.2
260 4 2 -8 42.526 85.053 0.439 2.99 4 8.7 0.2
261 2 2 -8 42.585 85.169 0.439 2.99 4 20.5 1.0
262 1 5 -4 42.63 85.259 0.44 2.98 4 17.2 0.7
263 2 5 3 42.651 85.301 0.44 2.98 4 27.1 1.7
264 4 2 6 42.668 85.337 0.44 2.98 4 57.5 7.6
265 9 3 -2 42.787 85.575 0.441 2.97 4 28.0 1.8
266 6 4 2 42.802 85.604 0.441 2.97 4 82.3 15.5
267 9 2 1 42.863 85.725 0.442 2.96 4 7.1 0.1
268 0 3 7 42.952 85.903 0.442 2.96 4 0.5 0.0
269 5 5 -2 42.972 85.945 0.442 2.96 4 51.5 6.0
270 4 4 -6 43.002 86.004 0.443 2.95 4 37.5 3.2
271 10 1 -5 43.03 86.06 0.443 2.95 4 12.6 0.4
272 4 4 4 43.103 86.206 0.444 2.95 4 115.8 30.4
273 3 5 -4 43.122 86.243 0.444 2.94 4 41.7 3.9
274 10 2 -2 43.22 86.439 0.445 2.94 4 63.8 9.2
275 9 1 2 43.361 86.722 0.446 2.93 4 5.1 0.1
276 5 5 0 43.39 86.781 0.446 2.93 4 36.7 3.0
277 0 4 6 43.61 87.219 0.448 2.91 4 15.4 0.5
278 5 1 6 43.735 87.47 0.449 2.9 4 48.5 5.3
279 3 3 6 43.769 87.539 0.449 2.9 4 65.8 9.6
280 7 1 -8 43.875 87.749 0.45 2.89 4 57.8 7.4
281 9 3 -4 43.92 87.839 0.45 2.89 4 36.8 3.0
282 10 2 -4 43.954 87.908 0.451 2.89 4 59.6 7.9
283 6 3 -7 43.97 87.941 0.451 2.89 4 15.5 0.5
284 7 4 1 44.013 88.027 0.451 2.88 4 22.2 1.1
285 1 1 8 44.107 88.214 0.452 2.88 4 26.3 1.5
286 1 5 4 44.22 88.441 0.453 2.87 4 23.5 1.2
287 8 4 -2 44.521 89.043 0.455 2.85 4 59.0 7.7
288 10 0 -6 44.536 89.073 0.455 2.85 2 12.5 0.2
289 6 2 -8 44.55 89.1 0.455 2.85 4 6.6 0.1
290 3 4 5 44.615 89.23 0.456 2.85 4 2.3 0.0
291 0 2 8 44.724 89.448 0.457 2.84 4 42.8 4.0
292 9 3 0 44.795 89.59 0.457 2.84 4 37.3 3.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 7.897 15.794 5.60638 10.8 1.0 1.0 5.6
2 0 1 1 8.369 16.737 5.29246 263.0 24.7 24.8 5.6
3 0 0 2 9.522 19.043 4.65652 531.3 49.9 50.1 5.6
4 2 0 -2 10.247 20.494 4.33004 365.1 34.3 34.4 5.6
5 1 1 -2 11.436 22.872 3.88498 1064.1 100.0 100.0 5.6
6 1 1 2 13.332 26.663 3.34054 789.7 74.2 74.0 5.6
7 3 1 0 13.583 27.166 3.27979 15.0 1.4 1.4 5.6
8 0 2 0 13.858 27.716 3.216 38.1 3.6 3.6 5.6
9 2 0 2 14.102 28.203 3.1615 21.9 2.1 2.0 5.6
10 3 1 -2 14.387 28.773 3.10018 87.1 8.2 8.2 5.6
11 1 2 -1 14.803 29.606 3.01483 183.1 17.2 17.1 5.6
12 4 0 -2 15.588 31.176 2.86652 242.7 22.8 22.7 5.6
13 4 0 0 15.627 31.254 2.85954 54.5 5.1 5.1 5.6
14 2 1 -3 15.704 31.408 2.84581 63.7 6.0 5.9 5.6
15 2 2 0 15.949 31.899 2.80319 159.5 15.0 14.9 5.6
16 0 1 3 15.993 31.986 2.79575 64.7 6.1 6.0 5.6
17 4 1 -1 16.418 32.836 2.7253 608.3 57.2 56.7 5.6
18 0 2 2 16.923 33.846 2.64623 32.6 3.1 3.0 5.7
19 2 2 -2 17.359 34.717 2.58179 117.5 11.0 10.9 5.7
20 3 2 -1 17.916 35.832 2.50399 139.8 13.1 13.0 5.7
21 2 0 -4 18.423 36.847 2.43732 188.3 17.7 17.5 5.7
22 3 1 2 18.749 37.497 2.39651 126.0 11.8 11.7 5.7
23 4 1 -3 19.084 38.168 2.35596 59.7 5.6 5.5 5.7
24 4 1 1 19.149 38.298 2.34821 79.5 7.5 7.4 5.7
25 1 2 -3 19.65 39.299 2.29066 320.6 30.1 29.7 5.7
26 2 1 3 19.809 39.617 2.27303 286.3 26.9 26.5 5.7
27 3 2 1 19.861 39.721 2.26732 17.2 1.6 1.6 5.7
28 2 2 2 19.978 39.956 2.25454 17.0 1.6 1.6 5.7
29 4 0 2 20.933 41.865 2.15602 18.5 1.7 1.7 5.7
30 3 2 -3 21.012 42.024 2.14822 232.5 21.8 21.5 5.7
31 4 2 -2 21.098 42.196 2.13987 146.4 13.8 13.5 5.7
32 1 2 3 21.461 42.923 2.10531 158.3 14.9 14.6 5.7
33 0 3 1 21.634 43.267 2.08935 84.3 7.9 7.8 5.7
34 1 1 4 22.153 44.306 2.04274 27.6 2.6 2.5 5.7
35 2 3 -1 22.555 45.11 2.00817 205.5 19.3 18.9 5.7
36 6 0 -2 22.71 45.421 1.99517 13.0 1.2 1.2 5.7
37 2 0 4 23.21 46.419 1.95455 70.9 6.7 6.5 5.7
38 2 2 -4 23.362 46.724 1.94249 53.5 5.0 4.9 5.7
39 5 2 -1 23.599 47.197 1.92412 18.4 1.7 1.7 5.7
40 2 3 1 23.655 47.31 1.91979 255.8 24.0 23.5 5.7
41 6 0 0 23.832 47.664 1.90636 34.4 3.2 3.2 5.7
42 6 1 -1 23.863 47.726 1.90406 141.7 13.3 13.0 5.7
43 0 2 4 24.107 48.214 1.88591 46.9 4.4 4.3 5.7
44 1 3 2 24.19 48.38 1.87982 18.9 1.8 1.7 5.7
45 2 1 -5 24.263 48.526 1.8745 16.4 1.5 1.5 5.7
46 3 3 0 24.342 48.684 1.86879 21.2 2.0 1.9 5.7
47 6 1 -3 24.865 49.731 1.83187 187.8 17.7 17.2 5.7
48 5 2 -3 25.13 50.259 1.81383 28.2 2.7 2.6 5.8
49 4 2 -4 25.397 50.795 1.79597 52.6 4.9 4.8 5.8
50 0 1 5 25.502 51.004 1.7891 57.7 5.4 5.3 5.8
51 2 3 -3 25.695 51.391 1.77653 45.7 4.3 4.2 5.8
52 4 1 -5 25.742 51.484 1.77353 57.8 5.4 5.3 5.8
53 5 1 2 25.822 51.644 1.76841 164.4 15.4 15.0 5.8
54 3 2 3 25.91 51.82 1.76282 71.9 6.8 6.6 5.8
55 4 3 -1 26.178 52.356 1.74604 21.0 2.0 1.9 5.8
56 6 1 1 26.938 53.876 1.7003 21.3 2.0 1.9 5.8
57 3 1 4 27.006 54.011 1.69636 21.9 2.1 2.0 5.8
58 2 2 4 27.463 54.925 1.67027 28.8 2.7 2.6 5.8
59 7 1 -2 27.654 55.308 1.65961 58.0 5.4 5.3 5.8
60 3 2 -5 27.781 55.561 1.65265 30.0 2.8 2.7 5.8
61 6 2 0 28.016 56.031 1.63989 22.2 2.1 2.0 5.8
62 4 3 -3 28.085 56.17 1.63619 44.5 4.2 4.0 5.8
63 2 3 3 28.629 57.258 1.60764 32.9 3.1 3.0 5.8
64 6 0 2 28.808 57.616 1.59851 20.6 1.9 1.9 5.8
65 4 0 -6 29.043 58.087 1.58666 33.2 3.1 3.0 5.8
66 7 1 0 29.103 58.205 1.58371 33.2 3.1 3.0 5.8
67 2 1 5 29.21 58.419 1.57842 142.5 13.4 12.9 5.8
68 6 1 -5 29.647 59.295 1.55719 73.0 6.9 6.6 5.8
69 0 0 6 29.753 59.506 1.55217 30.9 2.9 2.8 5.8
70 6 2 -4 29.797 59.594 1.55009 16.9 1.6 1.5 5.8
71 2 4 0 29.842 59.683 1.54798 68.3 6.4 6.2 5.8
72 5 2 -5 30.34 60.68 1.52492 36.9 3.5 3.3 5.8
73 2 4 -2 30.73 61.46 1.50741 20.3 1.9 1.8 5.8
74 8 1 -3 32.14 64.279 1.44794 84.4 7.9 7.6 5.9
75 2 3 -5 32.177 64.354 1.44644 65.6 6.2 5.9 5.9
76 6 0 -6 32.254 64.508 1.44335 12.2 1.1 1.1 5.9
77 3 4 1 32.426 64.852 1.43653 38.9 3.7 3.5 5.9
78 8 0 -4 32.509 65.018 1.43326 32.7 3.1 2.9 5.9
79 6 2 2 32.556 65.111 1.43144 26.7 2.5 2.4 5.9
80 8 0 0 32.598 65.196 1.42977 38.5 3.6 3.5 5.9
81 4 2 -6 32.775 65.55 1.42291 33.4 3.1 3.0 5.9
82 4 2 4 32.886 65.772 1.41864 59.5 5.6 5.3 5.9
83 0 3 5 33.217 66.434 1.4061 71.5 6.7 6.4 5.9
84 4 3 -5 33.421 66.842 1.3985 32.0 3.0 2.9 5.9
85 4 3 3 33.509 67.018 1.39526 49.1 4.6 4.4 5.9
86 7 2 1 33.875 67.751 1.38195 10.9 1.0 1.0 5.9
87 7 1 2 33.983 67.967 1.37808 20.7 1.9 1.8 5.9
88 8 2 -2 34.422 68.844 1.36265 43.1 4.0 3.8 5.9
89 7 1 -6 35.506 71.013 1.32625 52.8 5.0 4.7 5.9
90 0 4 4 35.603 71.207 1.32311 41.6 3.9 3.7 5.9
91 6 2 -6 35.8 71.6 1.31681 22.4 2.1 2.0 5.9
92 0 1 7 36.244 72.488 1.30285 12.2 1.1 1.1 5.9
93 2 3 5 36.444 72.889 1.29668 52.4 4.9 4.6 6.0
94 6 0 4 36.623 73.246 1.29123 36.6 3.4 3.2 6.0
95 6 3 -5 36.836 73.671 1.28483 10.7 1.0 0.9 6.0
96 3 2 -7 36.908 73.815 1.28267 13.5 1.3 1.2 6.0
97 3 4 3 37.051 74.102 1.27842 32.5 3.1 2.9 6.0
98 8 0 2 37.645 75.291 1.26116 39.2 3.7 3.5 6.0
99 1 5 -2 38.264 76.528 1.24382 82.4 7.7 7.2 6.0
100 5 2 -7 38.333 76.666 1.24192 20.0 1.9 1.8 6.0
101 6 4 0 38.806 77.612 1.22914 66.3 6.2 5.8 6.0
102 8 3 -1 39.141 78.281 1.22029 11.5 1.1 1.0 6.0
103 9 2 -1 39.253 78.506 1.21736 57.6 5.4 5.0 6.0
104 6 4 -4 40.341 80.681 1.18993 25.0 2.4 2.2 6.1
105 1 2 7 40.475 80.951 1.18665 37.0 3.5 3.2 6.1
106 6 0 -8 41.253 82.505 1.16819 31.2 2.9 2.7 6.1
107 4 3 -7 41.544 83.089 1.16146 34.9 3.3 3.0 6.1
108 7 3 -6 42.249 84.498 1.14565 14.1 1.3 1.2 6.1
109 8 3 1 42.354 84.708 1.14335 19.1 1.8 1.6 6.1
110 6 4 2 42.802 85.604 1.13366 17.3 1.6 1.5 6.1
111 4 4 4 43.103 86.206 1.12727 34.3 3.2 2.9 6.1
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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