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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FLUORO_SODIC_PEDRIZITE
1, DN
(Na,K)(0.65)Li(2)(Mg,Fe'')(2)Al(2)(Li,Mg,Fe)Si(8)O(22)(F,OH)(2)
Monoclinic C 2/m Z = 2
R =0.023
13 .7 .1906
Ref.Str.:
Oberti R., Camara F., Ottolini L. (2005)
* Amer. Mineral., 90, 732-736
Reserv:
from Tastyg spodumene deposit, Tuva, Siberia, Russia. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.368 alpha = 90.0
b = 17.616 beta = 102.38
c = 5.271 gamma = 90.0
Unit cell volume (cub. angs.) = 849.63
Molar volume ( cub.cm/mol.) = 255.88
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.0 3.2 Na = 0.14, K = 0.0
2 0.0673 0.5 0.1369 2.8 Na = 0.25, K = 0.0
3 0.0 0.089 0.5 0.64 Mg = 0.85, Fe = 0.16
4 0.0 0.1787 0.0 0.59 Al = 0.99, Cr = 0.0 , Zn = 0.0
5 0.0 0.0 0.0 0.51 Li = 0.64, Fe = 0.21, Mg = 0.05
6 0.0 0.2587 0.5 1.6 Li = 0.96, Ca = 0.02, Na = 0.01
7 0.2855 0.0879 0.2803 0.51 Si = 0.99, Al = 0.01
8 0.2971 0.174 0.7929 0.53 Si = 1.00
9 0.1091 0.0933 0.2003 0.6 O = 1.00
10 0.119 0.174 0.7402 0.67 O = 1.00
11 0.1161 0.0 0.6938 1.02 OH = 0.55, F = 0.45
12 0.3759 0.2539 0.7915 0.84 O = 1.00
13 0.3583 0.13 0.0677 0.98 O = 1.00
14 0.3472 0.1235 0.565 1.05 O = 1.00
15 0.3391 0.0 0.2881 1.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.5 0.0
2 2 0.0673 0.5 0.1369
3 3 0.0 0.089 0.5
4 4 0.0 0.1787 0.0
5 5 0.0 0.0 0.0
6 6 0.0 0.2587 0.5
7 7 0.2855 0.0879 0.2803
8 8 0.2971 0.174 0.7929
9 9 0.1091 0.0933 0.2003
10 10 0.119 0.174 0.7402
11 11 0.1161 0.0 0.6938
12 12 0.3759 0.2539 0.7915
13 13 0.3583 0.13 0.0677
14 14 0.3472 0.1235 0.565
15 15 0.3391 0.0 0.2881
16 2 0.9327 0.5 0.8631
17 3 0.0 0.911 0.5
18 4 0.0 0.8213 0.0
19 6 0.0 0.7413 0.5
20 7 0.7145 0.9121 0.7197
21 8 0.7029 0.826 0.2071
22 9 0.8909 0.9067 0.7997
23 10 0.881 0.826 0.2598
24 11 0.8839 0.0 0.3062
25 12 0.6241 0.7461 0.2085
26 13 0.6417 0.87 0.9323
27 14 0.6528 0.8765 0.435
28 15 0.6609 0.0 0.7119
29 7 0.2855 0.9121 0.2803
30 8 0.2971 0.826 0.7929
31 9 0.1091 0.9067 0.2003
32 10 0.119 0.826 0.7402
33 12 0.3759 0.7461 0.7915
34 13 0.3583 0.87 0.0677
35 14 0.3472 0.8765 0.565
36 7 0.7145 0.0879 0.7197
37 8 0.7029 0.174 0.2071
38 9 0.8909 0.0933 0.7997
39 10 0.881 0.174 0.2598
40 12 0.6241 0.2539 0.2085
41 13 0.6417 0.13 0.9323
42 14 0.6528 0.1235 0.435
43 1 0.5 0.0 0.0
44 2 0.5673 0.0 0.1369
45 3 0.5 0.411 0.5
46 4 0.5 0.3213 0.0
47 5 0.5 0.5 0.0
48 6 0.5 0.2413 0.5
49 7 0.7855 0.4121 0.2803
50 8 0.7971 0.326 0.7929
51 9 0.6091 0.4067 0.2003
52 10 0.619 0.326 0.7402
53 11 0.6161 0.5 0.6938
54 12 0.8759 0.2461 0.7915
55 13 0.8583 0.37 0.0677
56 14 0.8472 0.3765 0.565
57 15 0.8391 0.5 0.2881
58 2 0.4327 0.0 0.8631
59 3 0.5 0.589 0.5
60 4 0.5 0.6787 0.0
61 6 0.5 0.7587 0.5
62 7 0.2145 0.5879 0.7197
63 8 0.2029 0.674 0.2071
64 9 0.3909 0.5933 0.7997
65 10 0.381 0.674 0.2598
66 11 0.3839 0.5 0.3062
67 12 0.1241 0.7539 0.2085
68 13 0.1417 0.63 0.9323
69 14 0.1528 0.6235 0.435
70 15 0.1609 0.5 0.7119
71 7 0.7855 0.5879 0.2803
72 8 0.7971 0.674 0.7929
73 9 0.6091 0.5933 0.2003
74 10 0.619 0.674 0.7402
75 12 0.8759 0.7539 0.7915
76 13 0.8583 0.63 0.0677
77 14 0.8472 0.6235 0.565
78 7 0.2145 0.4121 0.7197
79 8 0.2029 0.326 0.2071
80 9 0.3909 0.4067 0.7997
81 10 0.381 0.326 0.2598
82 12 0.1241 0.2461 0.2085
83 13 0.1417 0.37 0.9323
84 14 0.1528 0.3765 0.435
X-ray density (g/cm cub.) = 3.02
MU (1/cm) = 146.237 Mass attenuation coefficient (cm**2/g) = 48.377
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,K 3.276 10
2.7087 13
3.2607 14
2.3579 15
2.7087 13
3.2607 14
2.3579 15
2.7087 13
3.2607 14
2.7087 13
3.2607 14
2 Na ,K 3.276 10
2.9841 13
2.4364 15
2.9083 11
2.6862 13
2.7026 14
2.969 15
2.5748 15
2.9841 13
2.6862 13
2.7026 14
3 Mg ,Fe 2.64 6
2.0587 9
2.1172 10
2.0514 11
2.0514 11
2.0587 9
2.1172 10
4 Al ,Cr ,Zn 2.676 6
1.9899 9
1.9441 10
1.9899 9
1.9441 10
1.8497 12
1.8497 12
5 Li ,Fe ,Mg 2.64 6
2.0971 9
2.1309 11
2.0971 9
2.1309 11
2.0971 9
2.0971 9
6 Li ,Ca ,Na 2.928 6
2.1135 10
2.1135 10
2.1278 12
2.5851 14
2.1278 12
2.5851 14
7 Si ,Al 2.364 4
1.6183 9
1.612 13
1.6148 14
1.6256 15
8 Si 2.148 4
1.6316 10
1.5901 12
1.6345 13
1.6421 14
9 O 3.312 12
3.1647 10
2.8298 10
3.0658 11
3.1477 11
2.6563 13
2.6674 14
2.6703 15
2.8229 11
3.2871 9
2.605 9
2.6406 10
2.6953 12
10 O 3.312 11
2.8298 9
3.1647 9
3.0746 11
2.7508 12
2.6357 13
2.6572 14
2.6406 9
2.9937 10
2.6715 12
2.7673 12
3.0866 12
11 OH ,F 3.36 12
3.1477 9
3.0658 9
3.0746 10
3.2421 14
3.2943 15
2.8229 9
2.6458 11
3.1477 9
3.0658 9
3.0746 10
3.2421 14
2.8229 9
12 O 3.312 11
2.7508 10
2.6483 13
2.5762 14
2.8366 12
3.2745 13
2.6715 10
2.6953 9
2.7673 10
3.0866 10
3.2009 13
3.2984 14
13 O 3.312 10
2.6563 9
2.6357 10
2.6483 12
2.648 14
2.6319 14
2.5915 15
3.2745 12
2.8931 13
3.0137 14
3.2009 12
14 O 3.312 10
2.6674 9
2.6572 10
3.2421 11
2.5762 12
2.6319 13
2.648 13
2.6118 15
3.0137 13
3.0833 14
3.2984 12
15 O 3.312 7
2.6703 9
3.2943 11
2.5915 13
2.6118 14
2.6703 9
2.5915 13
2.6118 14
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 5.828 11.657 0.057 190.97 2 17.1 15.5
2 1 1 0 6.324 12.648 0.062 161.86 4 52.3 245.3
3 0 0 1 10.005 20.01 0.097 63.35 2 26.8 12.6
4 1 3 0 10.428 20.855 0.101 58.14 4 10.9 3.9
5 1 1 -1 10.788 21.576 0.105 54.18 4 38.3 44.2
6 2 0 0 11.274 22.549 0.109 49.43 2 61.6 51.9
7 0 2 1 11.609 23.219 0.112 46.5 4 65.7 111.2
8 0 4 0 11.718 23.437 0.114 45.6 2 146.6 271.6
9 2 2 0 12.727 25.454 0.123 38.34 4 6.1 0.8
10 1 1 1 12.868 25.736 0.124 37.46 4 58.7 71.5
11 2 0 -1 13.417 26.834 0.13 34.3 2 24.5 5.7
12 1 3 -1 13.646 27.292 0.132 33.09 4 75.0 103.1
13 2 2 -1 14.672 29.344 0.142 28.36 4 82.9 108.0
14 1 3 1 15.367 30.734 0.148 25.68 4 122.4 213.2
15 0 4 1 15.502 31.004 0.149 25.2 4 21.2 6.3
16 1 5 0 15.786 31.572 0.152 24.23 4 27.6 10.2
17 2 4 0 16.374 32.748 0.158 22.39 4 72.4 65.0
18 2 0 1 16.741 33.482 0.161 21.34 2 0.0 0.0
19 3 1 0 17.315 34.63 0.166 19.83 4 170.6 319.8
20 0 6 0 17.737 35.475 0.17 18.81 2 14.9 1.2
21 2 2 1 17.784 35.567 0.171 18.71 4 83.4 72.2
22 2 4 -1 17.961 35.922 0.172 18.3 4 16.9 2.9
23 1 5 -1 18.138 36.276 0.174 17.92 4 112.6 126.0
24 3 1 -1 18.138 36.277 0.174 17.91 4 54.3 29.2
25 3 3 0 19.297 38.594 0.185 15.63 4 115.3 115.1
26 1 5 1 19.504 39.009 0.187 15.26 4 211.4 377.8
27 3 3 -1 20.05 40.1 0.192 14.36 4 82.1 53.7
28 1 1 -2 20.118 40.236 0.192 14.25 4 25.9 5.3
29 0 0 2 20.333 40.665 0.194 13.92 2 136.3 71.6
30 0 6 1 20.531 41.061 0.196 13.62 4 102.7 79.6
31 2 4 1 20.637 41.275 0.197 13.46 4 20.6 3.2
32 2 0 -2 21.12 42.239 0.201 12.78 2 248.4 218.5
33 2 6 0 21.222 42.445 0.202 12.64 4 2.5 0.0
34 0 2 2 21.223 42.447 0.202 12.64 4 16.2 1.8
35 1 7 0 21.631 43.262 0.206 12.12 4 66.5 29.7
36 1 3 -2 21.884 43.768 0.208 11.8 4 5.3 0.2
37 2 2 -2 21.984 43.969 0.209 11.68 4 12.3 1.0
38 3 1 1 22.023 44.046 0.21 11.64 4 11.8 0.9
39 2 6 -1 22.517 45.034 0.214 11.07 4 23.5 3.4
40 1 1 2 22.58 45.16 0.215 11.0 4 8.9 0.5
41 3 5 0 22.823 45.646 0.217 10.74 4 53.5 17.1
42 4 0 0 23.018 46.035 0.219 10.53 2 54.2 8.6
43 4 0 -1 23.101 46.203 0.219 10.44 2 2.1 0.0
44 1 7 -1 23.483 46.966 0.223 10.06 4 76.0 32.2
45 3 5 -1 23.484 46.967 0.223 10.06 4 113.2 71.5
46 3 3 1 23.675 47.349 0.224 9.88 4 0.1 0.0
47 0 4 2 23.733 47.466 0.225 9.83 4 37.5 7.7
48 4 2 0 23.828 47.655 0.226 9.74 4 21.3 2.4
49 4 2 -1 23.909 47.818 0.227 9.66 4 75.3 30.4
50 0 8 0 23.967 47.933 0.227 9.61 2 34.6 3.2
51 3 1 -2 24.014 48.029 0.227 9.57 4 116.4 71.8
52 1 3 2 24.202 48.403 0.229 9.4 4 14.3 1.1
53 2 4 -2 24.432 48.865 0.231 9.2 4 30.3 4.7
54 1 7 1 24.605 49.209 0.233 9.05 4 95.1 45.4
55 2 6 1 24.788 49.577 0.234 8.9 4 138.3 94.3
56 1 5 -2 25.117 50.235 0.237 8.64 4 25.1 3.0
57 3 3 -2 25.567 51.134 0.241 8.3 4 89.8 37.1
58 2 0 2 25.702 51.404 0.242 8.2 2 131.0 39.0
59 4 4 0 26.143 52.286 0.246 7.88 4 16.7 1.2
60 0 8 1 26.219 52.437 0.247 7.83 4 23.1 2.3
61 4 4 -1 26.219 52.439 0.247 7.83 4 34.3 5.1
62 2 2 2 26.45 52.9 0.249 7.68 4 4.6 0.1
63 3 5 1 26.743 53.485 0.252 7.49 4 86.8 31.3
64 2 8 0 26.795 53.591 0.252 7.45 4 19.2 1.5
65 1 5 2 27.226 54.452 0.256 7.19 4 53.2 11.3
66 4 0 1 27.429 54.859 0.258 7.07 2 24.8 1.2
67 3 7 0 27.438 54.877 0.258 7.06 4 26.1 2.7
68 0 6 2 27.523 55.047 0.258 7.01 4 0.2 0.0
69 4 0 -2 27.651 55.301 0.259 6.94 2 90.9 15.9
70 1 9 0 27.86 55.721 0.261 6.82 4 24.6 2.3
71 2 8 -1 27.892 55.784 0.262 6.8 4 11.5 0.5
72 3 7 -1 28.018 56.037 0.263 6.74 4 52.6 10.3
73 4 2 1 28.146 56.292 0.264 6.67 4 88.6 29.0
74 2 6 -2 28.154 56.309 0.264 6.66 4 6.9 0.2
75 4 2 -2 28.363 56.726 0.266 6.55 4 5.3 0.1
76 3 5 -2 28.487 56.975 0.267 6.49 4 52.9 10.1
77 2 4 2 28.613 57.226 0.268 6.42 4 98.8 34.8
78 5 1 -1 29.014 58.028 0.271 6.22 4 13.6 0.6
79 1 9 -1 29.42 58.84 0.275 6.03 4 91.4 27.9
80 5 1 0 29.432 58.865 0.275 6.03 4 83.8 23.5
81 1 7 -2 29.472 58.943 0.275 6.01 4 1.8 0.0
82 4 6 0 29.715 59.43 0.277 5.9 4 20.5 1.4
83 4 6 -1 29.785 59.57 0.278 5.87 4 7.4 0.2
84 2 8 1 29.866 59.731 0.278 5.83 4 7.6 0.2
85 3 1 2 30.199 60.397 0.281 5.69 4 15.2 0.7
86 4 4 1 30.228 60.456 0.281 5.68 4 32.3 3.3
87 1 9 1 30.386 60.771 0.283 5.61 4 117.6 43.0
88 5 3 -1 30.387 60.774 0.283 5.61 4 23.1 1.7
89 4 4 -2 30.436 60.872 0.283 5.59 4 70.4 15.4
90 0 10 0 30.514 61.029 0.284 5.56 2 111.4 19.1
91 1 1 -3 30.784 61.568 0.286 5.45 4 45.5 6.3
92 5 3 0 30.794 61.588 0.286 5.45 4 55.6 9.3
93 3 7 1 30.941 61.883 0.287 5.39 4 36.6 4.0
94 2 0 -3 31.06 62.119 0.288 5.34 2 7.4 0.1
95 1 7 2 31.383 62.766 0.291 5.22 4 60.7 10.7
96 0 0 3 31.413 62.826 0.291 5.21 2 33.6 1.6
97 3 3 2 31.54 63.081 0.292 5.17 4 1.8 0.0
98 2 2 -3 31.724 63.448 0.294 5.1 4 15.7 0.7
99 2 6 2 32.005 64.011 0.296 5.0 4 0.8 0.0
100 0 2 3 32.073 64.147 0.297 4.98 4 52.7 7.7
101 1 3 -3 32.112 64.223 0.297 4.97 4 82.0 18.5
102 0 8 2 32.313 64.626 0.299 4.9 4 51.5 7.2
103 0 10 1 32.456 64.912 0.3 4.85 4 28.0 2.1
104 3 7 -2 32.543 65.086 0.301 4.83 4 15.8 0.7
105 5 1 -2 32.544 65.088 0.301 4.83 4 118.3 37.4
106 3 1 -3 32.878 65.757 0.303 4.72 4 29.9 2.3
107 2 8 -2 32.887 65.774 0.304 4.72 4 99.9 26.1
108 3 9 0 32.887 65.774 0.304 4.72 4 0.7 0.0
109 2 10 0 32.963 65.925 0.304 4.7 4 5.4 0.1
110 5 5 -1 33.031 66.061 0.305 4.68 4 31.5 2.6
111 3 9 -1 33.409 66.817 0.308 4.56 4 72.0 13.1
112 5 5 0 33.42 66.84 0.308 4.56 4 2.2 0.0
113 4 6 1 33.524 67.048 0.309 4.53 4 209.2 109.8
114 1 1 3 33.562 67.124 0.309 4.52 4 19.6 1.0
115 2 4 -3 33.674 67.348 0.31 4.49 4 17.3 0.7
116 5 1 1 33.713 67.426 0.31 4.48 4 10.0 0.2
117 4 6 -2 33.72 67.441 0.31 4.48 4 1.6 0.0
118 5 3 -2 33.834 67.667 0.311 4.44 4 63.7 10.0
119 2 10 -1 33.936 67.871 0.312 4.42 4 27.8 1.9
120 0 4 3 34.013 68.026 0.313 4.4 4 28.0 1.9
121 3 5 2 34.135 68.27 0.314 4.36 4 0.4 0.0
122 3 3 -3 34.162 68.324 0.314 4.36 4 19.5 0.9
123 4 8 0 34.32 68.641 0.315 4.31 4 123.6 36.5
124 4 8 -1 34.385 68.771 0.316 4.3 4 20.3 1.0
125 1 11 0 34.543 69.085 0.317 4.26 4 103.8 25.4
126 1 5 -3 34.684 69.368 0.318 4.22 4 199.5 93.1
127 1 9 -2 34.729 69.458 0.318 4.21 4 18.8 0.8
128 1 3 3 34.833 69.667 0.319 4.19 4 37.0 3.2
129 5 3 1 34.982 69.964 0.32 4.15 4 16.0 0.6
130 6 0 -1 35.092 70.184 0.321 4.12 2 9.0 0.1
131 4 0 2 35.176 70.352 0.322 4.1 2 99.3 11.2
132 4 0 -3 35.497 70.993 0.325 4.03 2 9.5 0.1
133 2 10 1 35.716 71.432 0.326 3.98 4 51.5 5.9
134 6 2 -1 35.717 71.435 0.326 3.98 4 62.7 8.7
135 4 2 2 35.801 71.602 0.327 3.96 4 28.7 1.8
136 6 0 0 35.91 71.821 0.328 3.94 2 94.8 9.8
137 1 11 -1 35.935 71.87 0.328 3.93 4 5.8 0.1
138 3 9 1 36.082 72.165 0.329 3.9 4 26.4 1.5
139 4 2 -3 36.119 72.238 0.33 3.89 4 71.3 11.0
140 5 5 -2 36.347 72.694 0.331 3.85 4 27.4 1.6
141 2 8 2 36.456 72.913 0.332 3.83 4 46.0 4.5
142 2 0 3 36.485 72.971 0.332 3.82 2 6.6 0.0
143 1 9 2 36.492 72.984 0.332 3.82 4 72.7 11.2
144 6 2 0 36.53 73.06 0.333 3.81 4 10.9 0.3
145 3 5 -3 36.665 73.33 0.334 3.78 4 13.7 0.4
146 1 11 1 36.809 73.618 0.335 3.76 4 1.2 0.0
147 5 7 -1 36.81 73.62 0.335 3.76 4 15.5 0.5
148 2 6 -3 36.81 73.62 0.335 3.76 4 160.8 53.8
149 2 2 3 37.101 74.203 0.337 3.7 4 95.3 18.6
150 0 6 3 37.136 74.272 0.337 3.69 4 60.7 7.5
151 5 7 0 37.181 74.362 0.338 3.69 4 18.4 0.7
152 1 5 3 37.317 74.634 0.339 3.66 4 8.9 0.2
153 5 5 1 37.461 74.923 0.34 3.64 4 71.3 10.2
154 0 12 0 37.539 75.079 0.341 3.62 2 214.2 46.0
155 6 4 -1 37.569 75.137 0.341 3.62 4 30.1 1.8
156 3 9 -2 37.576 75.152 0.341 3.62 4 33.1 2.2
157 4 4 2 37.651 75.302 0.341 3.6 4 65.2 8.5
158 3 7 2 37.865 75.73 0.343 3.57 4 23.3 1.1
159 4 8 1 37.892 75.783 0.343 3.56 4 58.9 6.8
160 6 0 -2 37.9 75.801 0.343 3.56 2 151.5 22.7
161 4 4 -3 37.963 75.926 0.344 3.55 4 14.8 0.4
162 0 10 2 37.971 75.942 0.344 3.55 4 23.7 1.1
163 4 8 -2 38.079 76.157 0.345 3.53 4 45.1 4.0
164 6 4 0 38.367 76.733 0.347 3.48 4 26.5 1.4
165 1 7 -3 38.392 76.784 0.347 3.48 4 107.1 22.1
166 2 10 -2 38.507 77.014 0.348 3.46 4 95.8 17.6
167 6 2 -2 38.508 77.017 0.348 3.46 4 0.8 0.0
168 2 4 3 38.928 77.856 0.351 3.4 4 21.2 0.8
169 3 11 0 39.112 78.224 0.353 3.37 4 87.2 14.2
170 0 12 1 39.315 78.631 0.354 3.34 4 4.9 0.0
171 5 1 -3 39.459 78.918 0.355 3.33 4 23.7 1.0
172 3 11 -1 39.599 79.198 0.356 3.31 4 30.5 1.7
173 2 12 0 39.785 79.569 0.358 3.28 4 14.2 0.4
174 4 10 0 39.856 79.712 0.358 3.27 4 46.6 3.9
175 4 10 -1 39.918 79.835 0.359 3.27 4 56.0 5.7
176 5 7 -2 39.998 79.995 0.359 3.26 4 52.0 4.9
177 6 0 1 40.274 80.547 0.361 3.22 2 5.9 0.0
178 3 7 -3 40.306 80.612 0.362 3.22 4 13.0 0.3
179 6 4 -2 40.316 80.631 0.362 3.22 4 106.0 20.0
180 6 6 -1 40.589 81.177 0.364 3.18 4 257.4 116.9
181 5 3 -3 40.659 81.317 0.364 3.18 4 56.6 5.6
182 4 6 2 40.669 81.338 0.364 3.17 4 26.7 1.3
183 2 12 -1 40.692 81.384 0.364 3.17 4 4.2 0.0
184 3 1 3 40.731 81.463 0.365 3.17 4 19.6 0.7
185 1 11 -2 40.842 81.684 0.366 3.16 4 17.9 0.6
186 6 2 1 40.872 81.743 0.366 3.15 4 16.0 0.4
187 1 7 3 40.94 81.881 0.366 3.14 4 0.1 0.0
188 4 6 -3 40.974 81.949 0.367 3.14 4 57.4 5.7
189 2 8 -3 41.045 82.089 0.367 3.13 4 43.2 3.2
190 5 7 1 41.081 82.162 0.367 3.13 4 51.7 4.6
191 5 1 2 41.267 82.534 0.369 3.11 4 181.8 56.9
192 0 8 3 41.361 82.722 0.369 3.1 4 4.7 0.0
193 6 6 0 41.37 82.741 0.369 3.1 4 37.0 2.4
194 5 9 -1 41.64 83.281 0.371 3.07 4 13.5 0.3
195 1 13 0 41.857 83.715 0.373 3.05 4 24.3 1.0
196 2 10 2 41.894 83.788 0.373 3.05 4 38.0 2.4
197 2 6 3 41.922 83.844 0.373 3.05 4 102.0 17.5
198 3 3 3 41.923 83.846 0.373 3.05 4 11.2 0.2
199 5 9 0 41.999 83.999 0.374 3.04 4 21.3 0.8
200 3 11 1 42.13 84.259 0.375 3.03 4 25.2 1.1
201 7 1 -1 42.131 84.263 0.375 3.03 4 13.3 0.3
202 2 12 1 42.374 84.747 0.377 3.01 4 7.4 0.1
203 5 3 2 42.456 84.911 0.377 3.0 4 113.0 21.2
204 1 11 2 42.522 85.045 0.378 2.99 4 128.3 27.3
205 6 4 1 42.656 85.312 0.379 2.98 4 8.6 0.1
206 3 9 2 42.663 85.326 0.379 2.98 4 23.1 0.9
207 2 0 -4 42.873 85.745 0.38 2.96 2 143.4 16.9
208 5 5 -3 43.037 86.074 0.381 2.95 4 82.8 11.2
209 1 1 -4 43.047 86.094 0.382 2.95 4 109.2 19.5
210 1 13 -1 43.175 86.349 0.382 2.94 4 27.9 1.3
211 1 9 -3 43.176 86.353 0.382 2.94 4 111.1 20.1
212 4 10 1 43.281 86.562 0.383 2.93 4 43.5 3.1
213 6 6 -2 43.29 86.579 0.383 2.93 4 9.8 0.2
214 7 3 -1 43.317 86.634 0.383 2.93 4 8.9 0.1
215 7 1 0 43.327 86.653 0.384 2.93 4 88.6 12.8
216 4 10 -2 43.463 86.926 0.385 2.92 4 18.6 0.6
217 2 2 -4 43.465 86.929 0.385 2.92 4 6.7 0.1
218 3 11 -2 43.567 87.134 0.385 2.91 4 27.7 1.2
219 1 13 1 44.01 88.02 0.388 2.88 4 68.8 7.6
220 0 0 4 44.022 88.044 0.388 2.88 2 171.4 23.5
221 3 1 -4 44.091 88.181 0.389 2.88 4 10.7 0.2
222 6 0 -3 44.116 88.233 0.389 2.88 2 14.1 0.2
223 1 3 -4 44.23 88.461 0.39 2.87 4 95.4 14.5
224 3 5 3 44.292 88.584 0.39 2.87 4 37.9 2.3
225 7 1 -2 44.404 88.807 0.391 2.86 4 69.0 7.5
226 7 3 0 44.509 89.018 0.392 2.85 4 53.8 4.6
227 0 12 2 44.541 89.082 0.392 2.85 4 129.6 26.5
228 0 2 4 44.613 89.227 0.393 2.85 4 13.3 0.3
229 6 2 -3 44.707 89.415 0.393 2.84 4 31.5 1.6
230 6 8 -1 44.742 89.484 0.393 2.84 4 68.5 7.4
231 5 9 -2 44.75 89.5 0.394 2.84 4 53.5 4.5
232 4 8 2 44.822 89.643 0.394 2.84 4 43.0 2.9
233 5 5 2 44.823 89.645 0.394 2.84 4 30.2 1.4
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 5.828 11.657 8.808 15.5 4.1 4.2 5.6
2 1 1 0 6.324 12.648 8.1201 245.3 64.9 66.3 5.6
3 0 0 1 10.005 20.01 5.14843 12.6 3.3 3.4 5.6
4 1 3 0 10.428 20.855 4.94192 3.9 1.0 1.0 5.6
5 1 1 -1 10.788 21.576 4.77868 44.2 11.7 11.9 5.6
6 2 0 0 11.274 22.549 4.57508 51.9 13.7 13.9 5.6
7 0 2 1 11.609 23.219 4.44482 111.2 29.4 29.8 5.6
8 0 4 0 11.718 23.437 4.404 271.6 71.9 72.8 5.6
9 1 1 1 12.868 25.736 4.01626 71.5 18.9 19.1 5.6
10 2 0 -1 13.417 26.834 3.85478 5.7 1.5 1.5 5.6
11 1 3 -1 13.646 27.292 3.79129 103.1 27.3 27.6 5.6
12 2 2 -1 14.672 29.344 3.5314 108.0 28.6 28.8 5.6
13 1 3 1 15.367 30.734 3.37532 213.2 56.4 56.9 5.6
14 0 4 1 15.502 31.004 3.34664 6.3 1.7 1.7 5.6
15 1 5 0 15.786 31.572 3.28789 10.2 2.7 2.7 5.6
16 2 4 0 16.374 32.748 3.17286 65.0 17.2 17.3 5.6
17 3 1 0 17.315 34.63 3.00534 319.8 84.7 85.0 5.7
18 2 2 1 17.784 35.567 2.92859 72.2 19.1 19.2 5.7
19 1 5 -1 18.138 36.276 2.87326 155.2 41.1 41.2 5.7
20 3 3 0 19.297 38.594 2.7067 115.1 30.5 30.5 5.7
21 1 5 1 19.504 39.009 2.679 377.8 100.0 100.0 5.7
22 3 3 -1 20.05 40.1 2.60894 53.7 14.2 14.2 5.7
23 1 1 -2 20.118 40.236 2.60053 5.3 1.4 1.4 5.7
24 0 0 2 20.333 40.665 2.57422 71.6 19.0 18.9 5.7
25 0 6 1 20.531 41.061 2.55043 79.6 21.1 21.0 5.7
26 2 0 -2 21.12 42.239 2.48242 218.5 57.8 57.6 5.7
27 1 7 0 21.631 43.262 2.42647 29.7 7.8 7.8 5.7
28 3 5 0 22.823 45.646 2.30599 17.1 4.5 4.5 5.7
29 4 0 0 23.018 46.035 2.28754 8.6 2.3 2.3 5.7
30 3 5 -1 23.484 46.967 2.24464 103.7 27.5 27.2 5.7
31 0 4 2 23.733 47.466 2.22241 7.7 2.0 2.0 5.7
32 4 2 -1 23.909 47.818 2.20697 30.4 8.0 8.0 5.7
33 3 1 -2 24.014 48.029 2.19788 71.8 19.0 18.8 5.7
34 2 4 -2 24.432 48.865 2.16253 4.7 1.2 1.2 5.7
35 1 7 1 24.605 49.209 2.14832 45.4 12.0 11.9 5.7
36 2 6 1 24.788 49.577 2.13339 94.3 25.0 24.7 5.7
37 3 3 -2 25.567 51.134 2.07261 37.1 9.8 9.7 5.8
38 2 0 2 25.702 51.404 2.06245 39.0 10.3 10.2 5.8
39 4 4 -1 26.219 52.439 2.02453 7.4 2.0 1.9 5.8
40 3 5 1 26.743 53.485 1.98776 31.3 8.3 8.1 5.8
41 1 5 2 27.226 54.452 1.95509 11.3 3.0 2.9 5.8
42 3 7 0 27.438 54.877 1.94113 3.9 1.0 1.0 5.8
43 4 0 -2 27.651 55.301 1.92739 15.9 4.2 4.1 5.8
44 3 7 -1 28.018 56.037 1.90411 10.3 2.7 2.7 5.8
45 4 2 1 28.146 56.292 1.89618 29.2 7.7 7.6 5.8
46 3 5 -2 28.487 56.975 1.87531 10.1 2.7 2.6 5.8
47 2 4 2 28.613 57.226 1.86777 34.8 9.2 9.0 5.8
48 1 9 -1 29.42 58.84 1.82093 51.4 13.6 13.3 5.8
49 1 9 1 30.386 60.771 1.76835 44.7 11.8 11.5 5.8
50 4 4 -2 30.436 60.872 1.7657 15.4 4.1 4.0 5.8
51 0 10 0 30.514 61.029 1.7616 19.1 5.1 4.9 5.8
52 5 3 0 30.794 61.588 1.74715 15.6 4.1 4.0 5.8
53 3 7 1 30.941 61.883 1.73965 4.0 1.1 1.0 5.8
54 1 7 2 31.383 62.766 1.71763 10.7 2.8 2.7 5.9
55 0 2 3 32.073 64.147 1.68447 7.7 2.0 2.0 5.9
56 1 3 -3 32.112 64.223 1.68268 18.5 4.9 4.7 5.9
57 0 8 2 32.313 64.626 1.67332 7.2 1.9 1.8 5.9
58 5 1 -2 32.544 65.088 1.66274 37.4 9.9 9.6 5.9
59 2 8 -2 32.887 65.774 1.64731 28.4 7.5 7.3 5.9
60 3 9 -1 33.409 66.817 1.6245 13.1 3.5 3.4 5.9
61 4 6 1 33.524 67.048 1.61957 109.8 29.1 28.0 5.9
62 5 3 -2 33.834 67.667 1.60647 10.0 2.6 2.5 5.9
63 4 8 0 34.32 68.641 1.58643 36.5 9.7 9.3 5.9
64 1 11 0 34.543 69.085 1.57748 25.4 6.7 6.5 5.9
65 1 5 -3 34.684 69.368 1.57185 93.1 24.6 23.7 5.9
66 4 0 2 35.176 70.352 1.55263 11.2 3.0 2.8 5.9
67 6 2 -1 35.717 71.435 1.53216 14.5 3.8 3.7 5.9
68 6 0 0 35.91 71.821 1.52503 9.9 2.6 2.5 5.9
69 4 2 -3 36.119 72.238 1.51741 11.0 2.9 2.8 5.9
70 2 8 2 36.456 72.913 1.50529 4.5 1.2 1.1 6.0
71 1 9 2 36.492 72.984 1.50402 11.2 3.0 2.8 6.0
72 2 6 -3 36.81 73.62 1.49285 53.8 14.2 13.6 6.0
73 2 2 3 37.101 74.203 1.48279 18.6 4.9 4.7 6.0
74 0 6 3 37.136 74.272 1.48161 7.5 2.0 1.9 6.0
75 5 5 1 37.461 74.923 1.4706 10.2 2.7 2.6 6.0
76 0 12 0 37.539 75.079 1.468 47.9 12.7 12.0 6.0
77 4 4 2 37.651 75.302 1.4643 8.5 2.2 2.1 6.0
78 6 0 -2 37.9 75.801 1.45608 30.6 8.1 7.7 6.0
79 4 8 -2 38.079 76.157 1.4503 4.0 1.1 1.0 6.0
80 1 7 -3 38.392 76.784 1.44026 23.5 6.2 5.9 6.0
81 2 10 -2 38.507 77.014 1.43663 17.6 4.7 4.4 6.0
82 3 11 0 39.112 78.224 1.41789 14.2 3.8 3.6 6.0
83 4 10 0 39.856 79.712 1.39571 3.9 1.0 1.0 6.0
84 4 10 -1 39.918 79.835 1.39392 5.7 1.5 1.4 6.0
85 5 7 -2 39.998 79.995 1.3916 4.9 1.3 1.2 6.0
86 6 4 -2 40.316 80.631 1.38248 20.0 5.3 5.0 6.1
87 6 6 -1 40.589 81.177 1.37478 116.9 30.9 29.0 6.1
88 5 3 -3 40.659 81.317 1.37282 6.9 1.8 1.7 6.1
89 4 6 -3 40.974 81.949 1.36408 5.7 1.5 1.4 6.1
90 5 7 1 41.081 82.162 1.36117 4.6 1.2 1.1 6.1
91 5 1 2 41.267 82.534 1.35613 56.9 15.1 14.1 6.1
92 2 6 3 41.922 83.844 1.33878 20.2 5.3 5.0 6.1
93 5 3 2 42.456 84.911 1.32509 21.2 5.6 5.2 6.1
94 1 11 2 42.522 85.045 1.32341 27.3 7.2 6.7 6.1
95 2 0 -4 42.873 85.745 1.31467 16.9 4.5 4.1 6.1
96 1 1 -4 43.047 86.094 1.31037 30.7 8.1 7.5 6.1
97 1 9 -3 43.176 86.353 1.30722 21.4 5.7 5.2 6.1
98 7 1 0 43.327 86.653 1.30358 12.8 3.4 3.1 6.1
99 0 0 4 44.022 88.044 1.28711 31.0 8.2 7.6 6.2
100 1 3 -4 44.23 88.461 1.2823 14.5 3.8 3.5 6.2
101 7 1 -2 44.404 88.807 1.27833 7.5 2.0 1.8 6.2
102 7 3 0 44.509 89.018 1.27593 4.6 1.2 1.1 6.2
103 0 12 2 44.541 89.082 1.27522 26.5 7.0 6.5 6.2
104 6 8 -1 44.742 89.484 1.27069 11.9 3.1 2.9 6.2
105 4 8 2 44.822 89.643 1.26892 4.3 1.1 1.1 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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