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 ***
***********************
PINAKIOLITE
1, DN
Mg(1.68)Mn''(0.09)Mn'''(1.0)Al(0.05)Fe(0.02)Mn''''(0.06)O(2)[BO(3)]
Monoclinic C 2/m Z = 8
R =0.089 NR =1288
25 .5 .1990
Ref.Str.:
P.B. Moore, T. Araki (1974)
* Amer. Mineral., 58, 985-1004
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 21.79 alpha = 90.0
b = 5.977 beta = 95.83
c = 5.341 gamma = 90.0
Unit cell volume (cub. angs.) = 692.01
Molar volume ( cub.cm/mol.) = 52.1
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.5 0.0 0.73 Mn = 1.00
2 0.5 0.5 0.5 0.7 Mn = 1.00
3 0.2503 0.0 0.4993 0.57 Mn = 1.00
4 0.5 0.0 0.0 1.95 Mg = 0.83, Mg = 0.0
5 0.5 0.0 0.5 2.06 Mg = 0.77, Mg = 0.0
6 0.25 0.25 0.0 2.6 Mg = 0.84, Mn = 0.16
7 0.3869 0.2497 0.7072 2.64 Mg = 0.99, Fe = 0.01
8 0.1344 0.0 0.8055 2.57 B = 1.00
9 0.3692 0.0 0.1986 2.85 B = 1.00
10 0.3972 0.5 0.9838 2.73 O = 1.00
11 0.3959 0.5 0.4344 2.65 O = 1.00
12 0.198 0.0 0.8332 2.74 O = 1.00
13 0.4014 0.0 0.9834 1.02 O = 1.00
14 0.4002 0.0 0.4397 1.94 O = 1.00
15 0.3058 0.0 0.1713 1.89 O = 1.00
16 0.5138 0.2755 0.2556 1.92 O = 1.00
17 0.2937 0.2502 0.6775 1.76 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.5 0.0
2 2 0.5 0.5 0.5
3 3 0.2503 0.0 0.4993
4 4 0.5 0.0 0.0
5 5 0.5 0.0 0.5
6 6 0.25 0.25 0.0
7 7 0.3869 0.2497 0.7072
8 8 0.1344 0.0 0.8055
9 9 0.3692 0.0 0.1986
10 10 0.3972 0.5 0.9838
11 11 0.3959 0.5 0.4344
12 12 0.198 0.0 0.8332
13 13 0.4014 0.0 0.9834
14 14 0.4002 0.0 0.4397
15 15 0.3058 0.0 0.1713
16 16 0.5138 0.2755 0.2556
17 17 0.2937 0.2502 0.6775
18 3 0.7497 0.0 0.5007
19 6 0.75 0.75 0.0
20 7 0.6131 0.7503 0.2928
21 8 0.8656 0.0 0.1945
22 9 0.6308 0.0 0.8014
23 10 0.6028 0.5 0.0162
24 11 0.6041 0.5 0.5656
25 12 0.802 0.0 0.1668
26 13 0.5986 0.0 0.0166
27 14 0.5998 0.0 0.5603
28 15 0.6942 0.0 0.8287
29 16 0.4862 0.7245 0.7444
30 17 0.7063 0.7498 0.3225
31 6 0.25 0.75 0.0
32 7 0.3869 0.7503 0.7072
33 16 0.5138 0.7245 0.2556
34 17 0.2937 0.7498 0.6775
35 6 0.75 0.25 0.0
36 7 0.6131 0.2497 0.2928
37 16 0.4862 0.2755 0.7444
38 17 0.7063 0.2502 0.3225
39 1 0.0 0.0 0.0
40 2 0.0 0.0 0.5
41 3 0.7503 0.5 0.4993
42 4 0.0 0.5 0.0
43 5 0.0 0.5 0.5
44 7 0.8869 0.2503 0.7072
45 8 0.6344 0.5 0.8055
46 9 0.8692 0.5 0.1986
47 10 0.8972 0.0 0.9838
48 11 0.8959 0.0 0.4344
49 12 0.698 0.5 0.8332
50 13 0.9014 0.5 0.9834
51 14 0.9002 0.5 0.4397
52 15 0.8058 0.5 0.1713
53 16 0.0138 0.2245 0.2556
54 17 0.7937 0.2498 0.6775
55 3 0.2497 0.5 0.5007
56 7 0.1131 0.7497 0.2928
57 8 0.3656 0.5 0.1945
58 9 0.1308 0.5 0.8014
59 10 0.1028 0.0 0.0162
60 11 0.1041 0.0 0.5656
61 12 0.302 0.5 0.1668
62 13 0.0986 0.5 0.0166
63 14 0.0998 0.5 0.5603
64 15 0.1942 0.5 0.8287
65 16 0.9862 0.7755 0.7444
66 17 0.2063 0.7502 0.3225
67 7 0.8869 0.7497 0.7072
68 16 0.0138 0.7755 0.2556
69 17 0.7937 0.7502 0.6775
70 7 0.1131 0.2503 0.2928
71 16 0.9862 0.2245 0.7444
72 17 0.2063 0.2498 0.3225
X-ray density (g/cm cub.) = 3.74
MU (1/cm) = 78.876 Mass attenuation coefficient (cm**2/g) = 21.111
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.724 6
2.2329 10
1.916 16
2.2329 10
1.916 16
1.916 16
1.916 16
2 Mn 2.724 6
2.2598 11
1.9169 16
2.2598 11
1.9169 16
1.9169 16
1.9169 16
3 Mn 2.724 6
2.2118 12
2.2275 15
1.9631 17
1.9631 17
1.9637 17
1.9637 17
4 Mg ,Mg 2.52 6
2.1413 13
2.1406 16
2.1413 13
2.1406 16
2.1406 16
2.1406 16
5 Mg ,Mg 2.52 6
2.1658 14
2.1414 16
2.1658 14
2.1414 16
2.1414 16
2.1414 16
6 Mg ,Mn 2.724 6
2.0261 12
2.079 15
2.0511 17
2.0261 12
2.079 15
2.0511 17
7 Mg ,Fe 2.592 6
2.0985 10
2.1113 11
2.0997 13
2.1064 14
2.0209 17
2.1582 16
8 B 1.872 3
1.3787 12
1.3777 10
1.3805 11
9 B 1.872 3
1.4061 13
1.392 14
1.3744 15
10 O 3.264 11
2.4097 11
2.9316 11
2.9899 13
2.9899 13
3.1006 16
3.0401 17
2.7749 16
3.1006 16
3.0401 17
2.7749 16
2.3813 12
11 O 3.264 11
2.9316 10
2.4097 10
2.99 14
2.99 14
3.1322 16
3.076 17
2.7842 16
3.1322 16
3.076 17
2.7842 16
2.3738 12
12 O 3.264 11
2.8137 15
2.762 17
2.762 17
2.3813 10
2.3738 11
2.9897 15
2.9897 15
2.9993 17
3.1308 17
2.9993 17
3.1308 17
13 O 3.264 11
2.9899 10
2.9899 10
2.4399 14
2.9014 14
2.4023 15
3.1781 16
3.1039 17
2.8696 16
3.1781 16
3.1039 17
2.8696 16
14 O 3.264 11
2.99 11
2.99 11
2.9014 13
2.4399 13
2.3848 15
3.2094 16
3.1359 17
2.8726 16
3.2094 16
3.1359 17
2.8726 16
15 O 3.264 11
2.8137 12
2.4023 13
2.3848 14
3.1241 17
3.02 17
3.1241 17
3.02 17
2.9897 12
2.9897 12
2.8174 17
2.8174 17
16 O 3.264 11
3.1006 10
3.1322 11
3.1781 13
3.2094 14
2.7749 10
2.7842 11
2.8696 13
2.8726 14
2.6837 16
2.7379 16
2.7355 16
17 O 3.264 13
3.0401 10
3.076 11
2.762 12
3.1039 13
3.1359 14
3.02 15
3.1241 15
2.9861 17
2.9909 17
2.9993 12
3.1308 12
2.8174 15
2.5472 17
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 2 0 0 4.734 9.467 0.046 290.69 2 10.9 14.3
2 1 1 0 8.93 17.861 0.087 80.06 4 64.6 279.4
3 4 0 0 9.5 19.0 0.092 70.49 2 150.0 662.4
4 0 0 1 9.691 19.383 0.094 67.65 2 47.2 63.0
5 2 0 -1 10.358 20.716 0.101 58.96 2 77.7 148.8
6 3 1 0 11.199 22.397 0.109 50.13 4 62.0 161.2
7 2 0 1 11.237 22.473 0.109 49.78 2 0.6 0.0
8 4 0 -1 12.913 25.825 0.125 37.19 2 1.3 0.0
9 1 1 -1 13.055 26.11 0.126 36.34 4 0.7 0.0
10 1 1 1 13.418 26.836 0.13 34.29 4 2.1 0.1
11 4 0 1 14.326 28.652 0.138 29.84 2 75.5 71.1
12 6 0 0 14.334 28.668 0.138 29.8 2 47.6 28.2
13 3 1 -1 14.397 28.795 0.139 29.52 4 0.4 0.0
14 5 1 0 14.766 29.532 0.142 27.97 4 62.8 92.0
15 3 1 1 15.374 30.749 0.148 25.65 4 4.9 0.5
16 6 0 -1 16.553 33.105 0.159 21.87 2 52.1 24.8
17 5 1 -1 17.078 34.156 0.164 20.44 4 2.9 0.1
18 0 2 0 17.416 34.831 0.167 19.58 2 147.0 176.8
19 2 2 0 18.088 36.175 0.174 18.03 4 42.8 27.6
20 6 0 1 18.253 36.505 0.175 17.67 2 53.8 21.3
21 5 1 1 18.469 36.938 0.177 17.22 4 2.2 0.1
22 7 1 0 18.984 37.968 0.182 16.2 4 63.6 54.8
23 8 0 0 19.275 38.55 0.185 15.67 2 293.5 563.7
24 0 0 2 19.675 39.35 0.188 14.97 2 124.5 97.0
25 2 0 -2 19.78 39.56 0.189 14.8 2 49.7 15.2
26 4 2 0 19.986 39.972 0.191 14.46 4 61.5 45.7
27 0 2 1 20.084 40.168 0.192 14.3 4 44.1 23.2
28 2 2 -1 20.436 40.871 0.195 13.76 4 54.1 33.6
29 7 1 -1 20.643 41.285 0.197 13.45 4 3.2 0.1
30 2 0 2 20.775 41.55 0.198 13.26 2 47.7 12.6
31 8 0 -1 20.793 41.585 0.198 13.24 2 73.6 30.0
32 2 2 1 20.925 41.85 0.2 13.05 4 225.5 554.2
33 4 0 -2 21.075 42.15 0.201 12.84 2 241.2 312.1
34 1 1 -2 21.526 43.052 0.205 12.25 4 38.5 15.2
35 4 2 -1 21.933 43.866 0.209 11.74 4 86.2 73.0
36 1 1 2 21.995 43.991 0.209 11.67 4 39.7 15.4
37 3 1 -2 22.187 44.374 0.211 11.44 4 39.6 15.0
38 7 1 1 22.304 44.609 0.212 11.31 4 8.1 0.6
39 8 0 1 22.673 45.347 0.215 10.9 2 32.4 4.8
40 4 2 1 22.851 45.702 0.217 10.71 4 148.6 197.5
41 6 2 0 22.857 45.713 0.217 10.7 4 13.1 1.5
42 4 0 2 22.937 45.875 0.218 10.61 2 90.9 36.6
43 6 0 -2 23.399 46.798 0.222 10.15 2 130.5 72.1
44 3 1 2 23.542 47.085 0.223 10.01 4 36.7 11.3
45 9 1 0 23.602 47.204 0.224 9.95 4 54.1 24.3
46 5 1 -2 23.905 47.81 0.227 9.67 4 38.7 12.1
47 10 0 0 24.37 48.74 0.231 9.25 2 186.7 134.7
48 6 2 -1 24.407 48.814 0.231 9.22 4 100.0 77.1
49 9 1 -1 24.8 49.601 0.234 8.89 4 2.9 0.1
50 10 0 -1 25.437 50.874 0.24 8.39 2 100.1 35.1
51 6 2 1 25.672 51.344 0.242 8.22 4 108.6 81.0
52 6 0 2 25.957 51.915 0.245 8.01 2 38.9 5.1
53 5 1 2 26.019 52.037 0.245 7.97 4 45.9 14.0
54 8 2 0 26.461 52.922 0.249 7.67 4 82.0 43.1
55 7 1 -2 26.524 53.047 0.25 7.63 4 47.1 14.1
56 8 0 -2 26.547 53.093 0.25 7.61 2 177.6 100.3
57 9 1 1 26.661 53.322 0.251 7.54 4 0.4 0.0
58 0 2 2 26.775 53.549 0.252 7.47 4 251.1 393.2
59 1 3 0 26.798 53.596 0.252 7.45 4 24.6 3.8
60 2 2 -2 26.858 53.715 0.253 7.42 4 150.9 141.0
61 10 0 1 27.465 54.93 0.258 7.05 2 41.1 5.0
62 2 2 2 27.652 55.304 0.259 6.94 4 60.3 21.1
63 8 2 -1 27.666 55.333 0.26 6.93 4 54.6 17.3
64 3 3 0 27.756 55.512 0.26 6.88 4 27.8 4.4
65 4 2 -2 27.895 55.79 0.262 6.8 4 107.7 65.9
66 11 1 0 28.55 57.1 0.267 6.45 4 33.8 6.2
67 1 3 -1 28.671 57.342 0.268 6.39 4 1.8 0.0
68 1 3 1 28.863 57.725 0.27 6.3 4 0.8 0.0
69 8 2 1 29.211 58.423 0.273 6.13 4 144.7 107.2
70 7 1 2 29.262 58.525 0.273 6.11 4 42.4 9.2
71 3 3 -1 29.4 58.8 0.274 6.04 4 3.9 0.1
72 11 1 -1 29.416 58.832 0.275 6.03 4 2.1 0.0
73 4 2 2 29.432 58.864 0.275 6.03 4 48.1 11.6
74 5 3 0 29.61 59.219 0.276 5.95 4 30.4 4.6
75 8 0 2 29.661 59.323 0.277 5.92 2 135.5 45.4
76 12 0 0 29.68 59.359 0.277 5.91 2 114.2 32.2
77 6 2 -2 29.821 59.642 0.278 5.85 4 21.6 2.3
78 9 1 -2 29.885 59.769 0.279 5.82 4 37.7 6.9
79 3 3 1 29.964 59.928 0.279 5.79 4 2.8 0.0
80 2 0 -3 30.224 60.448 0.281 5.68 2 5.7 0.1
81 0 0 3 30.333 60.666 0.282 5.63 2 14.4 0.5
82 10 0 -2 30.355 60.711 0.282 5.62 2 64.0 9.6
83 12 0 -1 30.433 60.867 0.283 5.59 2 26.6 1.7
84 10 2 0 30.647 61.294 0.285 5.51 4 48.5 10.8
85 4 0 -3 31.006 62.012 0.288 5.37 2 85.5 16.4
86 5 3 -1 31.009 62.018 0.288 5.36 4 4.8 0.1
87 2 0 3 31.327 62.655 0.291 5.24 2 95.5 20.0
88 11 1 1 31.453 62.906 0.292 5.2 4 8.0 0.3
89 10 2 -1 31.568 63.137 0.293 5.16 4 54.6 12.9
90 1 1 -3 31.623 63.245 0.293 5.14 4 1.7 0.0
91 5 3 1 31.917 63.834 0.296 5.03 4 7.2 0.2
92 3 1 -3 31.952 63.905 0.296 5.02 4 4.0 0.1
93 6 2 2 32.022 64.044 0.296 5.0 4 36.1 5.4
94 1 1 3 32.163 64.327 0.298 4.95 4 0.9 0.0
95 7 3 0 32.265 64.53 0.298 4.92 4 35.3 5.1
96 8 2 -2 32.54 65.08 0.301 4.83 4 128.6 66.7
97 12 0 1 32.611 65.222 0.301 4.81 2 63.7 8.2
98 6 0 -3 32.642 65.284 0.302 4.8 2 10.6 0.2
99 5 1 -3 33.138 66.277 0.306 4.64 4 1.4 0.0
100 9 1 2 33.152 66.304 0.306 4.64 4 33.8 4.4
101 4 0 3 33.162 66.325 0.306 4.64 2 32.5 2.1
102 10 2 1 33.354 66.708 0.307 4.58 4 187.3 134.2
103 7 3 -1 33.426 66.852 0.308 4.56 4 6.9 0.2
104 3 1 3 33.552 67.104 0.309 4.52 4 0.3 0.0
105 13 1 0 33.841 67.683 0.311 4.44 4 35.8 4.7
106 11 1 -2 33.878 67.755 0.312 4.43 4 35.1 4.5
107 10 0 2 33.947 67.894 0.312 4.41 2 6.8 0.1
108 1 3 -2 34.068 68.135 0.313 4.38 4 47.2 8.1
109 1 3 2 34.415 68.831 0.316 4.29 4 47.7 8.1
110 13 1 -1 34.458 68.915 0.316 4.28 4 9.0 0.3
111 3 3 -2 34.558 69.117 0.317 4.25 4 48.3 8.3
112 7 3 1 34.646 69.292 0.318 4.23 4 4.5 0.1
113 12 0 -2 34.736 69.471 0.319 4.21 2 197.7 68.7
114 8 0 -3 35.071 70.141 0.321 4.13 2 21.2 0.8
115 7 1 -3 35.137 70.274 0.322 4.11 4 2.4 0.0
116 14 0 0 35.287 70.574 0.323 4.08 2 53.6 4.9
117 8 2 2 35.334 70.668 0.323 4.07 4 206.4 144.7
118 12 2 0 35.351 70.701 0.323 4.06 4 133.6 60.5
119 3 3 2 35.59 71.18 0.325 4.01 4 47.2 7.5
120 9 3 0 35.636 71.273 0.326 4.0 4 30.3 3.1
121 5 1 3 35.74 71.479 0.327 3.98 4 1.1 0.0
122 6 0 3 35.774 71.548 0.327 3.97 2 17.4 0.5
123 14 0 -1 35.807 71.614 0.327 3.96 2 47.3 3.7
124 2 2 -3 35.848 71.696 0.327 3.95 4 149.0 73.3
125 5 3 -2 35.872 71.744 0.328 3.95 4 48.8 7.9
126 0 2 3 35.948 71.896 0.328 3.93 4 156.9 80.8
127 10 2 -2 35.969 71.937 0.328 3.93 4 154.8 78.6
128 12 2 -1 36.04 72.08 0.329 3.91 4 177.6 103.0
129 4 2 -3 36.567 73.135 0.333 3.8 4 68.3 14.8
130 9 3 -1 36.577 73.155 0.333 3.8 4 9.2 0.3
131 13 1 1 36.68 73.36 0.334 3.78 4 5.4 0.1
132 0 4 0 36.77 73.54 0.335 3.76 2 318.0 158.9
133 2 2 3 36.864 73.729 0.335 3.75 4 88.1 24.3
134 2 4 0 37.176 74.352 0.338 3.69 4 8.0 0.2
135 5 3 2 37.559 75.118 0.341 3.62 4 51.8 8.1
136 11 1 2 37.632 75.263 0.341 3.61 4 29.1 2.6
137 9 1 -3 37.895 75.789 0.343 3.56 4 3.0 0.0
138 7 3 -2 37.973 75.946 0.344 3.55 4 51.5 7.9
139 12 2 1 38.058 76.117 0.345 3.53 4 32.3 3.1
140 9 3 1 38.087 76.173 0.345 3.53 4 9.6 0.3
141 6 2 -3 38.088 76.175 0.345 3.53 4 58.5 10.1
142 14 0 1 38.163 76.326 0.345 3.52 2 21.1 0.7
143 10 0 -3 38.232 76.464 0.346 3.51 2 33.1 1.6
144 4 4 0 38.385 76.769 0.347 3.48 4 94.3 25.9
145 0 4 1 38.449 76.899 0.348 3.47 4 34.4 3.4
146 13 1 -2 38.457 76.915 0.348 3.47 4 25.7 1.9
147 4 2 3 38.575 77.151 0.349 3.45 4 70.0 14.1
148 7 1 3 38.675 77.35 0.349 3.44 4 2.5 0.0
149 2 4 -1 38.684 77.367 0.349 3.44 4 54.9 8.6
150 12 0 2 38.786 77.572 0.35 3.42 2 203.9 59.4
151 2 4 1 39.015 78.029 0.352 3.39 4 5.2 0.1
152 8 0 3 39.108 78.215 0.353 3.37 2 20.2 0.6
153 10 2 2 39.314 78.629 0.354 3.35 4 93.2 24.3
154 15 1 0 39.552 79.103 0.356 3.31 4 42.3 5.0
155 14 0 -2 39.672 79.345 0.357 3.3 2 20.4 0.6
156 11 3 0 39.674 79.347 0.357 3.3 4 20.5 1.2
157 4 4 -1 39.714 79.427 0.357 3.29 4 11.7 0.4
158 15 1 -1 39.969 79.939 0.359 3.26 4 1.5 0.0
159 12 2 -2 40.062 80.124 0.36 3.25 4 122.1 40.4
160 7 3 2 40.286 80.572 0.361 3.22 4 44.5 5.3
161 4 4 1 40.37 80.741 0.362 3.21 4 42.4 4.8
162 6 4 0 40.374 80.749 0.362 3.21 4 27.6 2.0
163 8 2 -3 40.381 80.762 0.362 3.21 4 65.2 11.4
164 11 3 -1 40.419 80.838 0.362 3.2 4 12.3 0.4
165 14 2 0 40.587 81.175 0.364 3.18 4 18.1 0.9
166 9 3 -2 40.827 81.654 0.365 3.16 4 40.1 4.2
167 6 2 3 41.053 82.105 0.367 3.13 4 67.2 11.8
168 14 2 -1 41.084 82.169 0.367 3.13 4 106.8 29.8
169 16 0 0 41.315 82.63 0.369 3.1 2 140.5 25.6
170 11 1 -3 41.374 82.749 0.369 3.1 4 6.2 0.1
171 6 4 -1 41.524 83.049 0.371 3.08 4 27.1 1.9
172 16 0 -1 41.648 83.295 0.371 3.07 2 35.4 1.6
173 2 0 -4 42.069 84.139 0.375 3.03 2 119.2 18.0
174 12 0 -3 42.097 84.194 0.375 3.03 2 92.2 10.8
175 11 3 1 42.213 84.426 0.376 3.02 4 3.1 0.0
176 0 0 4 42.327 84.655 0.376 3.01 2 179.8 40.6
177 9 1 3 42.329 84.659 0.376 3.01 4 0.7 0.0
178 1 3 -3 42.365 84.73 0.377 3.01 4 1.9 0.0
179 15 1 1 42.417 84.835 0.377 3.0 4 0.1 0.0
180 6 4 1 42.5 85.0 0.378 2.99 4 43.1 4.7
181 4 0 -4 42.596 85.191 0.378 2.99 2 106.7 14.2
182 3 3 -3 42.661 85.323 0.379 2.98 4 1.4 0.0
183 13 1 2 42.716 85.432 0.379 2.98 4 24.7 1.5
184 1 3 3 42.852 85.704 0.38 2.97 4 2.3 0.0
185 8 4 0 43.124 86.249 0.382 2.94 4 169.3 70.5
186 10 0 3 43.145 86.29 0.382 2.94 2 95.4 11.2
187 14 2 1 43.36 86.719 0.384 2.93 4 38.1 3.5
188 2 0 4 43.367 86.735 0.384 2.93 2 54.2 3.6
189 0 4 2 43.376 86.753 0.384 2.93 4 91.2 20.3
190 1 1 -4 43.388 86.775 0.384 2.93 4 30.0 2.2
191 10 2 -3 43.427 86.853 0.384 2.92 4 67.5 11.1
192 2 4 -2 43.443 86.887 0.384 2.92 4 23.4 1.3
193 3 1 -4 43.521 87.043 0.385 2.92 4 36.1 3.2
194 15 1 -2 43.653 87.306 0.386 2.91 4 31.2 2.4
195 5 3 -3 43.739 87.479 0.386 2.9 4 5.7 0.1
196 9 3 2 43.752 87.504 0.387 2.9 4 36.3 3.2
197 6 0 -4 43.902 87.805 0.388 2.89 2 32.2 1.3
198 12 2 2 43.967 87.934 0.388 2.89 4 64.9 10.2
199 1 1 4 44.035 88.07 0.389 2.88 4 35.3 3.0
200 2 4 2 44.091 88.182 0.389 2.88 4 26.5 1.7
201 8 4 -1 44.103 88.205 0.389 2.88 4 51.9 6.5
202 3 3 3 44.119 88.238 0.389 2.88 4 4.3 0.0
203 14 0 2 44.231 88.462 0.39 2.87 2 69.3 5.8
204 16 0 1 44.243 88.485 0.39 2.87 2 15.0 0.3
205 8 2 3 44.282 88.563 0.39 2.87 4 72.5 12.6
206 4 4 -2 44.291 88.582 0.39 2.87 4 152.1 55.4
207 13 3 0 44.387 88.773 0.391 2.86 4 26.4 1.7
208 11 3 -2 44.42 88.84 0.391 2.86 4 37.1 3.3
209 5 1 -4 44.436 88.872 0.391 2.86 4 36.4 3.2
210 14 2 -2 44.836 89.671 0.394 2.84 4 2.9 0.0
211 13 3 -1 44.959 89.919 0.395 2.83 4 3.2 0.0
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 2 0 0 4.734 9.467 10.83865 14.3 2.2 2.2 5.6
2 1 1 0 8.93 17.861 5.76199 279.4 42.2 42.2 5.6
3 4 0 0 9.5 19.0 5.41932 662.4 100.0 100.0 5.6
4 0 0 1 9.691 19.383 5.31337 63.0 9.5 9.5 5.6
5 2 0 -1 10.358 20.716 4.97484 148.8 22.5 22.4 5.6
6 3 1 0 11.199 22.397 4.60557 161.2 24.3 24.3 5.6
7 4 0 1 14.326 28.652 3.61491 99.3 15.0 14.9 5.6
8 5 1 0 14.766 29.532 3.50944 92.0 13.9 13.8 5.6
9 6 0 -1 16.553 33.105 3.13961 24.8 3.7 3.7 5.6
10 0 2 0 17.416 34.831 2.9885 176.8 26.7 26.4 5.7
11 2 2 0 18.088 36.175 2.88099 27.6 4.2 4.1 5.7
12 6 0 1 18.253 36.505 2.8558 21.3 3.2 3.2 5.7
13 7 1 0 18.984 37.968 2.74962 54.8 8.3 8.1 5.7
14 8 0 0 19.275 38.55 2.70966 563.7 85.1 83.8 5.7
15 0 0 2 19.675 39.35 2.65669 97.0 14.6 14.4 5.7
16 2 0 -2 19.78 39.56 2.64313 15.2 2.3 2.3 5.7
17 4 2 0 19.986 39.972 2.61696 45.7 6.9 6.8 5.7
18 0 2 1 20.084 40.168 2.60476 23.2 3.5 3.4 5.7
19 2 2 -1 20.436 40.871 2.5618 33.6 5.1 5.0 5.7
20 8 0 -1 20.793 41.585 2.5197 42.6 6.4 6.3 5.7
21 2 2 1 20.925 41.85 2.50448 554.2 83.7 82.1 5.7
22 4 0 -2 21.075 42.15 2.48742 312.1 47.1 46.2 5.7
23 1 1 -2 21.526 43.052 2.43775 15.2 2.3 2.2 5.7
24 4 2 -1 21.933 43.866 2.39468 73.0 11.0 10.8 5.7
25 1 1 2 21.995 43.991 2.3882 15.4 2.3 2.3 5.7
26 3 1 -2 22.187 44.374 2.3686 15.0 2.3 2.2 5.7
27 4 2 1 22.851 45.702 2.30331 199.1 30.1 29.4 5.7
28 4 0 2 22.937 45.875 2.2951 36.6 5.5 5.4 5.7
29 6 0 -2 23.399 46.798 2.25229 72.1 10.9 10.6 5.7
30 3 1 2 23.542 47.085 2.23937 11.3 1.7 1.7 5.7
31 9 1 0 23.602 47.204 2.23402 24.3 3.7 3.6 5.7
32 5 1 -2 23.905 47.81 2.20734 12.1 1.8 1.8 5.7
33 10 0 0 24.37 48.74 2.16773 134.7 20.3 19.8 5.7
34 6 2 -1 24.407 48.814 2.16464 77.1 11.6 11.3 5.7
35 10 0 -1 25.437 50.874 2.08247 35.1 5.3 5.1 5.8
36 6 2 1 25.672 51.344 2.06468 81.0 12.2 11.9 5.8
37 5 1 2 26.019 52.037 2.03905 14.0 2.1 2.1 5.8
38 8 2 0 26.461 52.922 2.00738 43.1 6.5 6.3 5.8
39 8 0 -2 26.547 53.093 2.00136 114.5 17.3 16.7 5.8
40 0 2 2 26.775 53.549 1.98555 397.0 59.9 58.0 5.8
41 2 2 -2 26.858 53.715 1.97987 141.0 21.3 20.6 5.8
42 2 2 2 27.652 55.304 1.92729 38.3 5.8 5.6 5.8
43 4 2 -2 27.895 55.79 1.91183 65.9 10.0 9.6 5.8
44 8 2 1 29.211 58.423 1.83279 107.2 16.2 15.6 5.8
45 7 1 2 29.262 58.525 1.82988 9.2 1.4 1.3 5.8
46 4 2 2 29.432 58.864 1.82026 11.6 1.8 1.7 5.8
47 8 0 2 29.661 59.323 1.80745 77.6 11.7 11.3 5.8
48 9 1 -2 29.885 59.769 1.79518 6.9 1.0 1.0 5.8
49 10 0 -2 30.355 60.711 1.76994 9.6 1.5 1.4 5.8
50 10 2 0 30.647 61.294 1.75472 10.8 1.6 1.6 5.8
51 4 0 -3 31.006 62.012 1.73638 16.5 2.5 2.4 5.8
52 2 0 3 31.327 62.655 1.72035 20.0 3.0 2.9 5.8
53 10 2 -1 31.568 63.137 1.70857 12.9 1.9 1.9 5.9
54 8 2 -2 32.54 65.08 1.66291 66.7 10.1 9.6 5.9
55 12 0 1 32.611 65.222 1.65969 8.2 1.2 1.2 5.9
56 10 2 1 33.354 66.708 1.62685 134.2 20.3 19.2 5.9
57 1 3 -2 34.068 68.135 1.59676 8.1 1.2 1.2 5.9
58 1 3 2 34.415 68.831 1.58259 8.1 1.2 1.2 5.9
59 3 3 -2 34.558 69.117 1.57685 8.3 1.2 1.2 5.9
60 12 0 -2 34.736 69.471 1.5698 68.7 10.4 9.8 5.9
61 8 2 2 35.334 70.668 1.54659 205.2 31.0 29.2 5.9
62 3 3 2 35.59 71.18 1.53692 7.5 1.1 1.1 5.9
63 2 2 -3 35.848 71.696 1.52732 81.2 12.3 11.5 5.9
64 0 2 3 35.948 71.896 1.52365 159.4 24.1 22.6 5.9
65 12 2 -1 36.04 72.08 1.52028 103.0 15.5 14.6 5.9
66 4 2 -3 36.567 73.135 1.50136 15.1 2.3 2.1 6.0
67 0 4 0 36.77 73.54 1.49425 158.9 24.0 22.5 6.0
68 2 2 3 36.864 73.729 1.49096 24.3 3.7 3.4 6.0
69 5 3 2 37.559 75.118 1.46734 8.1 1.2 1.1 6.0
70 7 3 -2 37.973 75.946 1.45372 7.9 1.2 1.1 6.0
71 6 2 -3 38.088 76.175 1.45001 13.4 2.0 1.9 6.0
72 4 4 0 38.385 76.769 1.4405 25.9 3.9 3.6 6.0
73 4 2 3 38.575 77.151 1.43448 14.1 2.1 2.0 6.0
74 2 4 -1 38.684 77.367 1.43109 8.6 1.3 1.2 6.0
75 12 0 2 38.786 77.572 1.4279 59.4 9.0 8.3 6.0
76 10 2 2 39.314 78.629 1.41176 24.3 3.7 3.4 6.0
77 12 2 -2 40.062 80.124 1.38974 40.4 6.1 5.6 6.0
78 8 2 -3 40.381 80.762 1.38063 18.3 2.8 2.5 6.1
79 6 2 3 41.053 82.105 1.36194 11.8 1.8 1.6 6.1
80 14 2 -1 41.084 82.169 1.36108 29.8 4.5 4.1 6.1
81 16 0 0 41.315 82.63 1.35483 25.6 3.9 3.6 6.1
82 2 0 -4 42.069 84.139 1.33495 28.8 4.3 4.0 6.1
83 0 0 4 42.327 84.655 1.32834 40.6 6.1 5.6 6.1
84 4 0 -4 42.596 85.191 1.32157 14.2 2.1 2.0 6.1
85 8 4 0 43.124 86.249 1.30848 81.7 12.3 11.2 6.1
86 0 4 2 43.376 86.753 1.30238 29.6 4.5 4.1 6.1
87 10 2 -3 43.427 86.853 1.30117 12.4 1.9 1.7 6.1
88 12 2 2 43.967 87.934 1.28839 10.2 1.5 1.4 6.2
89 8 4 -1 44.103 88.205 1.28525 8.2 1.2 1.1 6.2
90 4 4 -2 44.291 88.582 1.2809 68.0 10.3 9.3 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)
|