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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JEREMEJEVITE
4
Al(6)B(5)(OH)(3)O(15)
Hexagonal P 6(3)/m Z = 2
P6(3)/m
14 .6 .1991
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 4, 7
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.555 alpha = 90.0
b = 8.555 beta = 90.0
c = 8.186 gamma = 120.0
Unit cell volume (cub. angs.) = 518.85
Molar volume ( cub.cm/mol.) = 156.26
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0145 0.3535 0.0765 0.0 Al = 1.00
2 0.196 0.286 0.104 0.0 O = 1.00
3 0.149 0.561 0.944 0.0 O = 1.00
4 0.24 0.236 0.25 0.0 B = 1.00
5 0.3333 0.6667 0.949 0.0 B = 1.00
6 0.302 0.116 0.25 0.0 O = 1.00
7 0.112 0.49 0.25 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0145 0.3535 0.0765
2 2 0.196 0.286 0.104
3 3 0.149 0.561 0.944
4 4 0.24 0.236 0.25
5 5 0.3333 0.6667 0.949
6 6 0.302 0.116 0.25
7 7 0.112 0.49 0.25
8 1 0.6465 0.661 0.0765
9 1 0.339 0.9855 0.0765
10 2 0.714 0.91 0.104
11 2 0.09 0.804 0.104
12 3 0.439 0.588 0.944
13 3 0.412 0.851 0.944
14 4 0.764 0.004 0.25
15 4 0.996 0.76 0.25
16 6 0.884 0.186 0.25
17 6 0.814 0.698 0.25
18 7 0.51 0.622 0.25
19 7 0.378 0.888 0.25
20 1 0.9855 0.6465 0.5765
21 2 0.804 0.714 0.604
22 3 0.851 0.439 0.444
23 4 0.76 0.764 0.75
24 5 0.6667 0.3333 0.449
25 6 0.698 0.884 0.75
26 7 0.888 0.51 0.75
27 1 0.3535 0.339 0.5765
28 1 0.661 0.0145 0.5765
29 2 0.286 0.09 0.604
30 2 0.91 0.196 0.604
31 3 0.561 0.412 0.444
32 3 0.588 0.149 0.444
33 4 0.236 0.996 0.75
34 4 0.004 0.24 0.75
35 6 0.116 0.814 0.75
36 6 0.186 0.302 0.75
37 7 0.49 0.378 0.75
38 7 0.622 0.112 0.75
39 1 0.0145 0.3535 0.4235
40 2 0.196 0.286 0.396
41 3 0.149 0.561 0.556
42 5 0.3333 0.6667 0.551
43 1 0.6465 0.661 0.4235
44 1 0.339 0.9855 0.4235
45 2 0.714 0.91 0.396
46 2 0.09 0.804 0.396
47 3 0.439 0.588 0.556
48 3 0.412 0.851 0.556
49 1 0.9855 0.6465 0.9235
50 2 0.804 0.714 0.896
51 3 0.851 0.439 0.056
52 5 0.6667 0.3333 0.051
53 1 0.3535 0.339 0.9235
54 1 0.661 0.0145 0.9235
55 2 0.286 0.09 0.896
56 2 0.91 0.196 0.896
57 3 0.561 0.412 0.056
58 3 0.588 0.149 0.056
X-ray density (g/cm cub.) = 3.24
MU (1/cm) = 72.584 Mass attenuation coefficient (cm**2/g) = 22.376
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.364 6
1.9214 2
1.8998 3
1.7614 7
1.928 6
1.8822 3
1.8956 2
2 O 3.312 11
2.891 3
2.3843 6
2.499 7
2.7094 3
2.646 6
3.0307 7
2.9044 6
2.3903 2
2.7558 2
2.7559 2
2.775 3
3 O 3.312 11
2.891 2
2.5596 7
2.7094 2
2.3739 3
2.3739 3
2.593 7
2.8103 6
2.8693 6
3.1762 3
2.4018 3
2.7751 2
4 B 1.92 3
1.3835 2
1.371 6
1.3835 2
5 B 1.92 3
1.3712 3
1.3713 3
1.3711 3
6 O 3.312 11
2.3843 2
2.646 2
2.3443 7
2.9043 2
2.8694 3
2.8102 3
2.3843 2
2.646 2
2.9043 2
2.8694 3
2.8102 3
7 OH 3.36 11
2.499 2
2.5596 3
3.0307 2
2.3443 6
3.0039 7
3.0039 7
2.593 3
2.499 2
2.5596 3
3.0307 2
2.593 3
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 1 0 0 5.968 11.935 0.067 182.06 6 14.8 89.1
2 1 0 1 8.061 16.122 0.091 98.77 12 0.6 0.1
3 1 1 0 10.374 20.749 0.117 58.77 6 80.6 850.5
4 0 0 2 10.847 21.695 0.122 53.57 2 66.3 175.2
5 1 1 1 11.723 23.446 0.132 45.56 12 42.5 366.4
6 2 0 0 12.001 24.003 0.135 43.38 6 14.9 21.5
7 1 0 2 12.416 24.831 0.14 40.39 12 32.6 191.4
8 2 0 1 13.193 26.386 0.148 35.54 12 15.8 39.6
9 1 1 2 15.098 30.196 0.169 26.67 12 2.6 0.8
10 1 2 0 15.966 31.933 0.179 23.65 6 19.2 19.3
11 2 1 0 15.966 31.933 0.179 23.65 6 56.9 170.9
12 2 0 2 16.287 32.575 0.182 22.65 12 17.5 30.8
13 1 2 1 16.901 33.802 0.189 20.9 12 26.8 66.7
14 2 1 1 16.901 33.802 0.189 20.9 12 48.3 217.2
15 1 0 3 17.507 35.015 0.195 19.36 12 33.1 94.5
16 3 0 0 18.174 36.348 0.202 17.84 6 68.1 184.3
17 3 0 1 19.013 38.027 0.211 16.15 12 3.7 1.0
18 1 2 2 19.469 38.937 0.216 15.33 12 5.4 2.0
19 2 1 2 19.469 38.937 0.216 15.33 12 4.8 1.6
20 1 1 3 19.563 39.125 0.217 15.16 12 53.2 191.1
21 2 0 3 20.524 41.049 0.228 13.63 12 88.7 477.9
22 2 2 0 21.11 42.219 0.234 12.8 6 26.1 19.4
23 3 0 2 21.363 42.727 0.236 12.46 12 57.5 183.5
24 2 2 1 21.854 43.708 0.242 11.84 12 31.6 52.6
25 1 3 0 22.016 44.031 0.243 11.64 6 0.7 0.0
26 3 1 0 22.016 44.031 0.243 11.64 6 122.4 388.6
27 0 0 4 22.11 44.22 0.244 11.53 2 2.0 0.0
28 1 3 1 22.736 45.473 0.251 10.83 12 10.7 5.5
29 3 1 1 22.736 45.473 0.251 10.83 12 3.3 0.5
30 1 0 4 22.985 45.969 0.253 10.57 12 15.3 11.0
31 1 2 3 23.213 46.426 0.256 10.33 12 67.7 210.8
32 2 1 3 23.213 46.426 0.256 10.33 12 36.7 62.1
33 2 2 2 23.976 47.953 0.264 9.6 12 36.2 56.1
34 4 0 0 24.574 49.148 0.27 9.08 6 47.6 45.8
35 1 1 4 24.661 49.322 0.271 9.01 12 21.6 18.8
36 1 3 2 24.8 49.6 0.272 8.89 12 22.4 19.9
37 3 1 2 24.8 49.6 0.272 8.89 12 6.7 1.8
38 3 0 3 24.878 49.755 0.273 8.83 12 17.3 11.8
39 4 0 1 25.238 50.476 0.277 8.54 12 31.1 36.9
40 2 0 4 25.468 50.936 0.279 8.37 12 11.6 5.0
41 2 3 0 26.948 53.896 0.294 7.36 6 18.4 5.5
42 3 2 0 26.948 53.896 0.294 7.36 6 66.7 72.9
43 4 0 2 27.16 54.319 0.296 7.23 12 27.3 24.0
44 2 2 3 27.232 54.465 0.297 7.19 12 104.7 351.0
45 2 3 1 27.571 55.142 0.3 6.99 12 22.0 15.0
46 3 2 1 27.571 55.142 0.3 6.99 12 2.9 0.3
47 1 2 4 27.787 55.575 0.303 6.86 12 11.7 4.2
48 2 1 4 27.787 55.575 0.303 6.86 12 14.6 6.5
49 1 3 3 27.987 55.973 0.305 6.75 12 33.8 34.4
50 3 1 3 27.987 55.973 0.305 6.75 12 7.5 1.7
51 1 4 0 28.453 56.906 0.309 6.5 6 43.6 27.5
52 4 1 0 28.453 56.906 0.309 6.5 6 23.7 8.1
53 1 0 5 28.805 57.611 0.313 6.33 12 26.3 19.5
54 1 4 1 29.055 58.109 0.315 6.2 12 48.7 65.5
55 4 1 1 29.055 58.109 0.315 6.2 12 21.5 12.8
56 3 0 4 29.264 58.527 0.317 6.1 12 37.5 38.2
57 2 3 2 29.387 58.774 0.319 6.05 12 4.1 0.5
58 3 2 2 29.387 58.774 0.319 6.05 12 6.8 1.2
59 4 0 3 30.174 60.348 0.326 5.7 12 14.5 5.3
60 1 1 5 30.25 60.5 0.327 5.67 12 61.2 94.7
61 1 4 2 30.815 61.629 0.333 5.44 12 41.5 41.8
62 4 1 2 30.815 61.629 0.333 5.44 12 27.9 18.8
63 2 0 5 30.957 61.913 0.334 5.38 12 0.3 0.0
64 5 0 0 31.321 62.643 0.337 5.25 6 13.4 2.1
65 2 2 4 31.395 62.791 0.338 5.22 12 5.7 0.8
66 5 0 1 31.89 63.779 0.343 5.04 12 1.6 0.1
67 1 3 4 32.088 64.175 0.345 4.98 12 10.4 2.4
68 3 1 4 32.088 64.175 0.345 4.98 12 12.4 3.4
69 2 3 3 32.27 64.541 0.347 4.92 12 52.6 60.7
70 3 2 3 32.27 64.541 0.347 4.92 12 2.0 0.1
71 3 3 0 32.699 65.399 0.351 4.78 6 92.2 90.5
72 1 2 5 33.024 66.049 0.354 4.68 12 1.2 0.0
73 2 1 5 33.024 66.049 0.354 4.68 12 23.7 11.7
74 3 3 1 33.255 66.51 0.356 4.61 12 0.8 0.0
75 2 4 0 33.377 66.754 0.357 4.57 6 63.7 41.4
76 4 2 0 33.377 66.754 0.357 4.57 6 6.7 0.5
77 5 0 2 33.563 67.126 0.359 4.52 12 26.6 14.3
78 1 4 3 33.627 67.255 0.359 4.5 12 133.6 358.1
79 4 1 3 33.627 67.255 0.359 4.5 12 59.3 70.5
80 2 4 1 33.927 67.854 0.362 4.42 12 6.0 0.7
81 4 2 1 33.927 67.854 0.362 4.42 12 5.4 0.6
82 4 0 4 34.119 68.237 0.364 4.37 12 2.3 0.1
83 3 0 5 34.366 68.733 0.366 4.3 12 29.2 16.4
84 0 0 6 34.373 68.747 0.366 4.3 2 188.3 113.2
85 3 3 2 34.895 69.79 0.371 4.17 12 76.7 109.5
86 1 0 6 35.035 70.07 0.373 4.14 12 1.2 0.0
87 1 5 0 35.371 70.742 0.376 4.06 6 19.0 3.3
88 5 1 0 35.371 70.742 0.376 4.06 6 24.7 5.5
89 2 4 2 35.552 71.104 0.377 4.02 12 9.5 1.6
90 4 2 2 35.552 71.104 0.377 4.02 12 22.5 9.0
91 1 5 1 35.907 71.813 0.381 3.94 12 14.6 3.7
92 5 1 1 35.907 71.813 0.381 3.94 12 15.9 4.4
93 2 3 4 36.094 72.187 0.382 3.9 12 2.1 0.1
94 3 2 4 36.094 72.187 0.382 3.9 12 22.6 8.8
95 5 0 3 36.266 72.533 0.384 3.86 12 15.8 4.3
96 2 2 5 36.335 72.671 0.385 3.85 12 45.7 35.8
97 1 1 6 36.342 72.684 0.385 3.85 12 53.1 48.3
98 1 3 5 36.982 73.964 0.39 3.72 12 3.3 0.2
99 3 1 5 36.982 73.964 0.39 3.72 12 6.0 0.6
100 2 0 6 36.989 73.977 0.391 3.72 12 3.6 0.2
101 1 4 4 37.386 74.771 0.394 3.65 12 44.9 32.8
102 4 1 4 37.386 74.771 0.394 3.65 12 0.6 0.0
103 1 5 2 37.495 74.99 0.395 3.63 12 15.7 4.0
104 5 1 2 37.495 74.99 0.395 3.63 12 7.8 1.0
105 3 3 3 37.556 75.112 0.396 3.62 12 29.1 13.7
106 2 4 3 38.195 76.39 0.401 3.51 12 51.2 41.1
107 4 2 3 38.195 76.39 0.401 3.51 12 21.7 7.4
108 6 0 0 38.595 77.189 0.405 3.45 6 62.5 30.0
109 4 0 5 38.898 77.796 0.408 3.4 12 48.6 35.8
110 1 2 6 38.905 77.81 0.408 3.4 12 0.1 0.0
111 2 1 6 38.905 77.81 0.408 3.4 12 24.6 9.2
112 6 0 1 39.114 78.228 0.41 3.37 12 15.2 3.5
113 3 4 0 39.228 78.456 0.411 3.36 6 61.5 28.3
114 4 3 0 39.228 78.456 0.411 3.36 6 35.2 9.3
115 3 4 1 39.745 79.49 0.415 3.29 12 8.0 0.9
116 4 3 1 39.745 79.49 0.415 3.29 12 3.7 0.2
117 5 0 4 39.926 79.852 0.417 3.26 12 2.6 0.1
118 1 5 3 40.093 80.186 0.418 3.24 12 31.7 14.6
119 5 1 3 40.093 80.186 0.418 3.24 12 12.2 2.1
120 3 0 6 40.166 80.333 0.419 3.23 12 60.5 52.8
121 2 5 0 40.487 80.974 0.421 3.2 6 19.1 2.6
122 5 2 0 40.487 80.974 0.421 3.2 6 50.5 18.1
123 6 0 2 40.66 81.321 0.423 3.18 12 31.0 13.6
124 2 3 5 40.787 81.574 0.424 3.16 12 16.9 4.0
125 3 2 5 40.787 81.574 0.424 3.16 12 4.4 0.3
126 2 5 1 41.0 82.0 0.426 3.14 12 26.7 10.0
127 5 2 1 41.0 82.0 0.426 3.14 12 46.0 29.6
128 3 3 4 41.18 82.359 0.427 3.12 12 22.4 7.0
129 3 4 2 41.286 82.572 0.428 3.11 12 25.7 9.2
130 4 3 2 41.286 82.572 0.428 3.11 12 31.9 14.1
131 2 4 4 41.804 83.607 0.433 3.06 12 0.7 0.0
132 4 2 4 41.804 83.607 0.433 3.06 12 18.7 4.7
133 1 0 7 41.823 83.647 0.433 3.05 12 26.3 9.4
134 1 4 5 42.035 84.071 0.435 3.04 12 40.1 21.7
135 4 1 5 42.035 84.071 0.435 3.04 12 18.8 4.8
136 2 2 6 42.042 84.084 0.435 3.03 12 25.6 8.9
137 2 5 2 42.532 85.064 0.439 2.99 12 4.4 0.3
138 5 2 2 42.532 85.064 0.439 2.99 12 1.4 0.0
139 1 3 6 42.664 85.328 0.44 2.98 12 5.0 0.3
140 3 1 6 42.664 85.328 0.44 2.98 12 43.8 25.4
141 1 6 0 42.981 85.963 0.443 2.96 6 22.7 3.4
142 6 1 0 42.981 85.963 0.443 2.96 6 59.4 23.2
143 1 1 7 43.067 86.134 0.443 2.95 12 7.9 0.8
144 6 0 3 43.212 86.425 0.444 2.94 12 30.5 12.2
145 1 6 1 43.49 86.979 0.447 2.92 12 7.0 0.6
146 6 1 1 43.49 86.979 0.447 2.92 12 1.5 0.0
147 1 5 4 43.668 87.335 0.448 2.91 12 14.2 2.6
148 5 1 4 43.668 87.335 0.448 2.91 12 14.9 2.9
149 2 0 7 43.687 87.375 0.448 2.9 12 1.6 0.0
150 3 4 3 43.833 87.665 0.45 2.9 12 16.8 3.6
151 4 3 3 43.833 87.665 0.45 2.9 12 20.3 5.3
152 5 0 5 44.518 89.036 0.455 2.85 12 8.4 0.9
153 4 0 6 44.525 89.049 0.455 2.85 12 20.4 5.3
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 0 0 5.968 11.935 7.40885 89.1 10.5 10.5 5.6
2 1 1 0 10.374 20.749 4.2775 850.5 100.0 100.0 5.6
3 0 0 2 10.847 21.695 4.093 175.2 20.6 20.6 5.6
4 1 1 1 11.723 23.446 3.79112 366.4 43.1 43.0 5.6
5 2 0 0 12.001 24.003 3.70442 21.5 2.5 2.5 5.6
6 1 0 2 12.416 24.831 3.58264 191.4 22.5 22.4 5.6
7 2 0 1 13.193 26.386 3.37494 39.6 4.7 4.6 5.6
8 2 1 0 15.966 31.933 2.80028 190.2 22.4 22.2 5.6
9 2 0 2 16.287 32.575 2.74655 30.8 3.6 3.6 5.6
10 2 1 1 16.901 33.802 2.64954 284.0 33.4 33.0 5.7
11 1 0 3 17.507 35.015 2.56053 94.5 11.1 11.0 5.7
12 3 0 0 18.174 36.348 2.46962 184.3 21.7 21.4 5.7
13 1 1 3 19.563 39.125 2.30046 191.1 22.5 22.1 5.7
14 2 0 3 20.524 41.049 2.19699 477.9 56.2 55.2 5.7
15 2 2 0 21.11 42.219 2.13875 19.4 2.3 2.2 5.7
16 3 0 2 21.363 42.727 2.11452 183.5 21.6 21.2 5.7
17 2 2 1 21.854 43.708 2.06929 52.6 6.2 6.1 5.7
18 3 1 0 22.016 44.031 2.05484 388.6 45.7 44.8 5.7
19 1 0 4 22.985 45.969 1.97263 11.0 1.3 1.3 5.7
20 1 2 3 23.213 46.426 1.95429 272.9 32.1 31.4 5.7
21 2 2 2 23.976 47.953 1.89556 56.1 6.6 6.4 5.7
22 4 0 0 24.574 49.148 1.85221 45.8 5.4 5.2 5.7
23 1 1 4 24.661 49.322 1.84609 18.8 2.2 2.1 5.7
24 1 3 2 24.8 49.6 1.83641 21.7 2.6 2.5 5.7
25 3 0 3 24.878 49.755 1.83103 11.8 1.4 1.4 5.7
26 4 0 1 25.238 50.476 1.80655 36.9 4.3 4.2 5.8
27 3 2 0 26.948 53.896 1.69971 78.4 9.2 8.9 5.8
28 4 0 2 27.16 54.319 1.68747 24.0 2.8 2.7 5.8
29 2 2 3 27.232 54.465 1.6833 351.0 41.3 39.9 5.8
30 2 3 1 27.571 55.142 1.66421 15.3 1.8 1.7 5.8
31 2 1 4 27.787 55.575 1.65229 10.7 1.3 1.2 5.8
32 1 3 3 27.987 55.973 1.64146 36.0 4.2 4.1 5.8
33 1 4 0 28.453 56.906 1.61674 35.6 4.2 4.0 5.8
34 1 0 5 28.805 57.611 1.59863 19.5 2.3 2.2 5.8
35 1 4 1 29.055 58.109 1.5861 78.2 9.2 8.9 5.8
36 3 0 4 29.264 58.527 1.57577 38.2 4.5 4.3 5.8
37 1 1 5 30.25 60.5 1.52903 94.7 11.1 10.7 5.8
38 1 4 2 30.815 61.629 1.50369 60.6 7.1 6.8 5.8
39 2 3 3 32.27 64.541 1.4427 60.8 7.1 6.8 5.9
40 3 3 0 32.699 65.399 1.42583 90.5 10.6 10.1 5.9
41 2 1 5 33.024 66.049 1.41336 11.7 1.4 1.3 5.9
42 2 4 0 33.377 66.754 1.40014 41.9 4.9 4.7 5.9
43 5 0 2 33.563 67.126 1.39328 14.3 1.7 1.6 5.9
44 1 4 3 33.627 67.255 1.39093 428.6 50.4 47.8 5.9
45 0 0 6 34.373 68.747 1.36433 129.6 15.2 14.4 5.9
46 3 3 2 34.895 69.79 1.34647 109.5 12.9 12.2 5.9
47 5 1 0 35.371 70.742 1.33067 8.8 1.0 1.0 5.9
48 4 2 2 35.552 71.104 1.32477 10.6 1.3 1.2 5.9
49 3 2 4 36.094 72.187 1.30754 8.8 1.0 1.0 5.9
50 1 1 6 36.342 72.684 1.29982 84.2 9.9 9.3 6.0
51 1 4 4 37.386 74.771 1.26863 32.8 3.9 3.6 6.0
52 3 3 3 37.556 75.112 1.26371 13.7 1.6 1.5 6.0
53 2 4 3 38.195 76.39 1.24572 48.5 5.7 5.3 6.0
54 6 0 0 38.595 77.189 1.23481 30.0 3.5 3.3 6.0
55 4 0 5 38.898 77.796 1.22668 45.0 5.3 4.9 6.0
56 3 4 0 39.228 78.456 1.21801 37.5 4.4 4.1 6.0
57 1 5 3 40.093 80.186 1.19603 16.7 2.0 1.8 6.0
58 3 0 6 40.166 80.333 1.19421 52.8 6.2 5.7 6.0
59 5 2 0 40.487 80.974 1.18637 20.7 2.4 2.3 6.1
60 6 0 2 40.66 81.321 1.18218 13.6 1.6 1.5 6.1
61 5 2 1 41.0 82.0 1.1741 39.6 4.7 4.3 6.1
62 4 3 2 41.286 82.572 1.16741 23.3 2.7 2.5 6.1
63 1 0 7 41.823 83.647 1.15513 14.2 1.7 1.5 6.1
64 1 4 5 42.035 84.071 1.15037 35.4 4.2 3.8 6.1
65 3 1 6 42.664 85.328 1.13661 25.4 3.0 2.7 6.1
66 6 1 0 42.981 85.963 1.12984 26.6 3.1 2.9 6.1
67 6 0 3 43.212 86.425 1.12498 12.2 1.4 1.3 6.1
68 4 3 3 43.833 87.665 1.11223 9.0 1.1 1.0 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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