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 ***
***********************
JEREMEJEVITE
1
Al(6)B(5)O(15)(OH)(3)
Hexagonal P 6(3)/m Z = 2
R =0.21 NR =494
27 .11 .1989
Ref.Str.:
N.I.Golovastikov, E.N.Belova, N.V.Belov (1955)
* Zapiski VMO, 84, 405-414
[Proc. Rus. Min. Soc.]
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.56 alpha = 90.0
b = 8.56 beta = 90.0
c = 8.18 gamma = 120.0
Unit cell volume (cub. angs.) = 519.08
Molar volume ( cub.cm/mol.) = 156.33
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 0.302 0.116 0.25 0.0 O = 1.00
5 0.112 0.49 0.25 0.0 O = 1.00
6 0.24 0.236 0.25 0.0 B = 1.00
7 0.3333 0.6667 0.949 0.0 B = 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 0.302 0.116 0.25
5 5 0.112 0.49 0.25
6 6 0.24 0.236 0.25
7 7 0.3333 0.6667 0.949
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 0.884 0.186 0.25
15 4 0.814 0.698 0.25
16 5 0.51 0.622 0.25
17 5 0.378 0.888 0.25
18 6 0.764 0.004 0.25
19 6 0.996 0.76 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 0.698 0.884 0.75
24 5 0.888 0.51 0.75
25 6 0.76 0.764 0.75
26 7 0.6667 0.3333 0.449
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 0.116 0.814 0.75
34 4 0.186 0.302 0.75
35 5 0.49 0.378 0.75
36 5 0.622 0.112 0.75
37 6 0.236 0.996 0.75
38 6 0.004 0.24 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 7 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 7 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.) = 3.22
MU (1/cm) = 72.33 Mass attenuation coefficient (cm**2/g) = 22.441
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.316 6
1.9225 2
1.9 3
1.7609 5
1.9278 4
1.8833 3
1.8952 2
2 O 3.264 11
2.8919 3
2.3849 4
2.4997 5
2.7102 3
2.6468 4
3.0319 5
2.9022 4
2.3886 2
2.756 2
2.7561 2
2.7766 3
3 O 3.264 11
2.8919 2
2.5579 5
2.7102 2
2.3753 3
2.3753 3
2.5933 5
2.8108 4
2.8698 4
3.1738 3
2.4027 3
2.7766 2
4 O 3.264 11
2.3849 2
2.6468 2
2.3457 5
2.9022 2
2.8699 3
2.8106 3
2.3849 2
2.6468 2
2.9022 2
2.8699 3
2.8106 3
5 O 3.264 11
2.4997 2
2.5579 3
3.0319 2
2.3457 4
3.0057 5
3.0057 5
2.5933 3
2.4997 2
2.5579 3
3.0319 2
2.5933 3
6 B 1.872 3
1.3829 2
1.3718 4
1.3829 2
7 B 1.872 3
1.372 3
1.3721 3
1.3719 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 5.964 11.928 0.067 182.27 6 14.8 89.1
2 1 0 1 8.061 16.122 0.091 98.76 12 0.6 0.1
3 1 1 0 10.368 20.736 0.117 58.84 6 80.6 851.0
4 0 0 2 10.855 21.711 0.122 53.49 2 66.3 174.7
5 1 1 1 11.719 23.439 0.132 45.59 12 42.5 366.4
6 2 0 0 11.994 23.989 0.135 43.43 6 14.9 21.6
7 1 0 2 12.421 24.842 0.14 40.36 12 32.6 191.0
8 2 0 1 13.188 26.377 0.148 35.57 12 15.8 39.6
9 1 1 2 15.1 30.199 0.169 26.66 12 2.6 0.8
10 1 2 0 15.957 31.914 0.178 23.68 6 19.2 19.4
11 2 1 0 15.957 31.914 0.178 23.68 6 57.0 171.0
12 2 0 2 16.287 32.575 0.182 22.65 12 17.5 30.8
13 1 2 1 16.893 33.787 0.189 20.93 12 26.8 66.8
14 2 1 1 16.893 33.787 0.189 20.93 12 48.3 217.4
15 1 0 3 17.518 35.036 0.195 19.33 12 33.1 94.2
16 3 0 0 18.163 36.326 0.202 17.86 6 68.1 184.5
17 3 0 1 19.004 38.008 0.211 16.17 12 3.7 1.0
18 1 2 2 19.465 38.93 0.216 15.33 12 5.4 2.0
19 2 1 2 19.465 38.93 0.216 15.33 12 4.8 1.6
20 1 1 3 19.57 39.14 0.217 15.15 12 53.2 190.7
21 2 0 3 20.53 41.061 0.228 13.62 12 88.7 477.0
22 2 2 0 21.097 42.194 0.234 12.81 6 26.1 19.5
23 3 0 2 21.358 42.716 0.236 12.47 12 57.5 183.4
24 2 2 1 21.843 43.685 0.242 11.85 12 31.6 52.6
25 1 3 0 22.002 44.004 0.243 11.66 6 0.7 0.0
26 3 1 0 22.002 44.004 0.243 11.66 6 122.4 389.2
27 0 0 4 22.127 44.255 0.244 11.51 2 2.0 0.0
28 1 3 1 22.724 45.448 0.251 10.84 12 10.7 5.5
29 3 1 1 22.724 45.448 0.251 10.84 12 3.3 0.5
30 1 0 4 23.0 46.0 0.254 10.55 12 15.3 11.0
31 1 2 3 23.215 46.43 0.256 10.33 12 67.7 210.6
32 2 1 3 23.215 46.43 0.256 10.33 12 36.7 62.0
33 2 2 2 23.969 47.937 0.264 9.61 12 36.2 56.1
34 4 0 0 24.559 49.118 0.27 9.09 6 47.6 45.9
35 1 1 4 24.674 49.348 0.271 8.99 12 21.6 18.7
36 1 3 2 24.791 49.583 0.272 8.9 12 22.4 19.9
37 3 1 2 24.791 49.583 0.272 8.9 12 6.7 1.8
38 3 0 3 24.878 49.756 0.273 8.83 12 17.3 11.8
39 4 0 1 25.224 50.448 0.277 8.55 12 31.1 36.9
40 2 0 4 25.48 50.959 0.279 8.36 12 11.5 5.0
41 2 3 0 26.931 53.862 0.294 7.37 6 18.4 5.5
42 3 2 0 26.931 53.862 0.294 7.37 6 66.7 73.0
43 4 0 2 27.149 54.298 0.296 7.24 12 27.3 24.0
44 2 2 3 27.23 54.46 0.297 7.19 12 104.7 350.8
45 2 3 1 27.555 55.111 0.3 7.0 12 22.0 15.1
46 3 2 1 27.555 55.111 0.3 7.0 12 2.9 0.3
47 1 2 4 27.796 55.591 0.303 6.86 12 11.6 4.1
48 2 1 4 27.796 55.591 0.303 6.86 12 14.6 6.5
49 1 3 3 27.983 55.967 0.305 6.75 12 33.8 34.3
50 3 1 3 27.983 55.967 0.305 6.75 12 7.5 1.7
51 1 4 0 28.435 56.87 0.309 6.51 6 43.6 27.6
52 4 1 0 28.435 56.87 0.309 6.51 6 23.7 8.1
53 1 0 5 28.827 57.653 0.313 6.32 12 26.3 19.4
54 1 4 1 29.038 58.075 0.315 6.21 12 48.7 65.5
55 4 1 1 29.038 58.075 0.315 6.21 12 21.5 12.8
56 3 0 4 29.27 58.54 0.317 6.1 12 37.5 38.1
57 2 3 2 29.374 58.749 0.318 6.05 12 4.1 0.5
58 3 2 2 29.374 58.749 0.318 6.05 12 6.8 1.2
59 4 0 3 30.169 60.337 0.326 5.7 12 14.5 5.3
60 1 1 5 30.269 60.537 0.327 5.66 12 61.2 94.4
61 1 4 2 30.801 61.601 0.332 5.44 12 41.5 41.8
62 4 1 2 30.801 61.601 0.332 5.44 12 27.9 18.8
63 2 0 5 30.974 61.949 0.334 5.38 12 0.3 0.0
64 5 0 0 31.301 62.602 0.337 5.25 6 13.4 2.1
65 2 2 4 31.399 62.798 0.338 5.22 12 5.7 0.8
66 5 0 1 31.87 63.741 0.343 5.05 12 1.6 0.1
67 1 3 4 32.09 64.181 0.345 4.98 12 10.4 2.4
68 3 1 4 32.09 64.181 0.345 4.98 12 12.4 3.4
69 2 3 3 32.263 64.525 0.346 4.92 12 52.6 60.7
70 3 2 3 32.263 64.525 0.346 4.92 12 2.0 0.1
71 3 3 0 32.678 65.356 0.35 4.78 6 92.2 90.6
72 1 2 5 33.039 66.079 0.354 4.67 12 1.2 0.0
73 2 1 5 33.039 66.079 0.354 4.67 12 23.6 11.6
74 3 3 1 33.234 66.469 0.356 4.61 12 0.8 0.0
75 2 4 0 33.355 66.71 0.357 4.58 6 63.8 41.5
76 4 2 0 33.355 66.71 0.357 4.58 6 6.7 0.5
77 5 0 2 33.547 67.093 0.359 4.52 12 26.6 14.3
78 1 4 3 33.618 67.236 0.359 4.5 12 133.6 358.1
79 4 1 3 33.618 67.236 0.359 4.5 12 59.3 70.5
80 2 4 1 33.906 67.812 0.362 4.42 12 6.0 0.7
81 4 2 1 33.906 67.812 0.362 4.42 12 5.4 0.6
82 4 0 4 34.119 68.238 0.364 4.37 12 2.3 0.1
83 3 0 5 34.379 68.759 0.367 4.3 12 29.2 16.3
84 0 0 6 34.402 68.804 0.367 4.29 2 188.2 112.8
85 3 3 2 34.877 69.754 0.371 4.17 12 76.8 109.6
86 1 0 6 35.063 70.125 0.373 4.13 12 1.2 0.0
87 1 5 0 35.347 70.694 0.376 4.06 6 19.0 3.3
88 5 1 0 35.347 70.694 0.376 4.06 6 24.7 5.5
89 2 4 2 35.534 71.068 0.377 4.02 12 9.5 1.6
90 4 2 2 35.534 71.068 0.377 4.02 12 22.5 9.0
91 1 5 1 35.884 71.767 0.38 3.94 12 14.6 3.8
92 5 1 1 35.884 71.767 0.38 3.94 12 15.9 4.4
93 2 3 4 36.092 72.183 0.382 3.9 12 2.1 0.1
94 3 2 4 36.092 72.183 0.382 3.9 12 22.6 8.8
95 5 0 3 36.254 72.509 0.384 3.87 12 15.8 4.3
96 2 2 5 36.346 72.691 0.385 3.85 12 45.7 35.8
97 1 1 6 36.368 72.736 0.385 3.84 12 53.1 48.2
98 1 3 5 36.991 73.983 0.391 3.72 12 3.3 0.2
99 3 1 5 36.991 73.983 0.391 3.72 12 6.0 0.6
100 2 0 6 37.014 74.027 0.391 3.72 12 3.6 0.2
101 1 4 4 37.382 74.764 0.394 3.65 12 44.9 32.8
102 4 1 4 37.382 74.764 0.394 3.65 12 0.6 0.0
103 1 5 2 37.475 74.949 0.395 3.63 12 15.7 4.0
104 5 1 2 37.475 74.949 0.395 3.63 12 7.8 1.0
105 3 3 3 37.543 75.086 0.396 3.62 12 29.1 13.7
106 2 4 3 38.181 76.363 0.401 3.51 12 51.2 41.1
107 4 2 3 38.181 76.363 0.401 3.51 12 21.7 7.4
108 6 0 0 38.568 77.136 0.405 3.45 6 62.5 30.0
109 4 0 5 38.905 77.811 0.408 3.4 12 48.6 35.8
110 1 2 6 38.927 77.854 0.408 3.4 12 0.1 0.0
111 2 1 6 38.927 77.854 0.408 3.4 12 24.6 9.2
112 6 0 1 39.088 78.176 0.409 3.38 12 15.2 3.5
113 3 4 0 39.201 78.402 0.41 3.36 6 61.5 28.3
114 4 3 0 39.201 78.402 0.41 3.36 6 35.2 9.3
115 3 4 1 39.719 79.437 0.415 3.29 12 8.0 0.9
116 4 3 1 39.719 79.437 0.415 3.29 12 3.7 0.2
117 5 0 4 39.919 79.839 0.417 3.26 12 2.6 0.1
118 1 5 3 40.077 80.154 0.418 3.25 12 31.8 14.6
119 5 1 3 40.077 80.154 0.418 3.25 12 12.2 2.1
120 3 0 6 40.187 80.374 0.419 3.23 12 60.5 52.7
121 2 5 0 40.459 80.917 0.421 3.2 6 19.1 2.6
122 5 2 0 40.459 80.917 0.421 3.2 6 50.5 18.2
123 6 0 2 40.637 81.274 0.423 3.18 12 31.0 13.6
124 2 3 5 40.792 81.584 0.424 3.16 12 16.9 4.0
125 3 2 5 40.792 81.584 0.424 3.16 12 4.4 0.3
126 2 5 1 40.972 81.945 0.426 3.14 12 26.7 10.0
127 5 2 1 40.972 81.945 0.426 3.14 12 46.0 29.7
128 3 3 4 41.172 82.344 0.427 3.12 12 22.4 7.0
129 3 4 2 41.262 82.524 0.428 3.11 12 25.7 9.2
130 4 3 2 41.262 82.524 0.428 3.11 12 31.9 14.1
131 2 4 4 41.795 83.59 0.433 3.06 12 0.7 0.0
132 4 2 4 41.795 83.59 0.433 3.06 12 18.7 4.7
133 1 0 7 41.859 83.719 0.433 3.05 12 26.3 9.4
134 1 4 5 42.039 84.078 0.435 3.03 12 40.1 21.7
135 4 1 5 42.039 84.078 0.435 3.03 12 18.8 4.8
136 2 2 6 42.06 84.121 0.435 3.03 12 25.6 8.9
137 2 5 2 42.507 85.013 0.439 2.99 12 4.4 0.3
138 5 2 2 42.507 85.013 0.439 2.99 12 1.4 0.0
139 1 3 6 42.681 85.363 0.44 2.98 12 5.0 0.3
140 3 1 6 42.681 85.363 0.44 2.98 12 43.7 25.4
141 1 6 0 42.95 85.9 0.442 2.96 6 22.7 3.4
142 6 1 0 42.95 85.9 0.442 2.96 6 59.4 23.3
143 1 1 7 43.101 86.203 0.444 2.95 12 7.9 0.8
144 6 0 3 43.193 86.386 0.444 2.94 12 30.5 12.2
145 1 6 1 43.459 86.919 0.446 2.92 12 7.0 0.6
146 6 1 1 43.459 86.919 0.446 2.92 12 1.5 0.0
147 1 5 4 43.657 87.314 0.448 2.91 12 14.2 2.6
148 5 1 4 43.657 87.314 0.448 2.91 12 14.9 2.9
149 2 0 7 43.721 87.442 0.449 2.9 12 1.6 0.0
150 3 4 3 43.813 87.625 0.449 2.9 12 16.8 3.7
151 4 3 3 43.813 87.625 0.449 2.9 12 20.3 5.3
152 5 0 5 44.519 89.037 0.455 2.85 12 8.4 0.9
153 4 0 6 44.54 89.08 0.455 2.85 12 20.4 5.3
154 1 6 2 44.984 89.968 0.459 2.83 12 21.9 6.0
155 6 1 2 44.984 89.968 0.459 2.83 12 22.8 6.6
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 5.964 11.928 7.41318 89.1 10.5 10.5 5.6
2 1 1 0 10.368 20.736 4.28 851.0 100.0 100.0 5.6
3 0 0 2 10.855 21.711 4.09 174.7 20.5 20.5 5.6
4 1 1 1 11.719 23.439 3.79227 366.4 43.1 43.0 5.6
5 2 0 0 11.994 23.989 3.70659 21.6 2.5 2.5 5.6
6 1 0 2 12.421 24.842 3.58112 191.0 22.4 22.4 5.6
7 2 0 1 13.188 26.377 3.37615 39.6 4.7 4.6 5.6
8 2 1 0 15.957 31.914 2.80192 190.4 22.4 22.2 5.6
9 2 0 2 16.287 32.575 2.74653 30.8 3.6 3.6 5.6
10 2 1 1 16.893 33.787 2.65073 284.1 33.4 33.0 5.7
11 1 0 3 17.518 35.036 2.55905 94.2 11.1 10.9 5.7
12 3 0 0 18.163 36.326 2.47106 184.5 21.7 21.4 5.7
13 1 1 3 19.57 39.14 2.29965 190.7 22.4 22.1 5.7
14 2 0 3 20.53 41.061 2.19639 477.0 56.1 55.1 5.7
15 2 2 0 21.097 42.194 2.14 19.5 2.3 2.2 5.7
16 3 0 2 21.358 42.716 2.11501 183.4 21.6 21.2 5.7
17 2 2 1 21.843 43.685 2.07032 52.6 6.2 6.1 5.7
18 3 1 0 22.002 44.004 2.05605 389.2 45.7 44.8 5.7
19 1 0 4 23.0 46.0 1.97137 11.0 1.3 1.3 5.7
20 1 2 3 23.215 46.43 1.95411 272.6 32.0 31.3 5.7
21 2 2 2 23.969 47.937 1.89613 56.1 6.6 6.4 5.7
22 4 0 0 24.559 49.118 1.85329 45.9 5.4 5.3 5.7
23 1 1 4 24.674 49.348 1.84519 18.7 2.2 2.1 5.7
24 1 3 2 24.791 49.583 1.83699 21.7 2.6 2.5 5.7
25 3 0 3 24.878 49.756 1.83102 11.8 1.4 1.4 5.7
26 4 0 1 25.224 50.448 1.80748 36.9 4.3 4.2 5.8
27 3 2 0 26.931 53.862 1.7007 78.6 9.2 8.9 5.8
28 4 0 2 27.149 54.298 1.68808 24.0 2.8 2.7 5.8
29 2 2 3 27.23 54.46 1.68344 350.8 41.2 39.9 5.8
30 2 3 1 27.555 55.111 1.66509 15.3 1.8 1.7 5.8
31 2 1 4 27.796 55.591 1.65183 10.6 1.3 1.2 5.8
32 1 3 3 27.983 55.967 1.64164 36.0 4.2 4.1 5.8
33 1 4 0 28.435 56.87 1.61769 35.7 4.2 4.0 5.8
34 1 0 5 28.827 57.653 1.59756 19.4 2.3 2.2 5.8
35 1 4 1 29.038 58.075 1.58695 78.3 9.2 8.9 5.8
36 3 0 4 29.27 58.54 1.57546 38.1 4.5 4.3 5.8
37 1 1 5 30.269 60.537 1.52816 94.4 11.1 10.6 5.8
38 1 4 2 30.801 61.601 1.5043 60.7 7.1 6.8 5.8
39 2 3 3 32.263 64.525 1.44301 60.8 7.1 6.8 5.9
40 3 3 0 32.678 65.356 1.42667 90.6 10.6 10.1 5.9
41 2 1 5 33.039 66.079 1.4128 11.6 1.4 1.3 5.9
42 2 4 0 33.355 66.71 1.40096 41.9 4.9 4.7 5.9
43 5 0 2 33.547 67.093 1.39388 14.3 1.7 1.6 5.9
44 1 4 3 33.618 67.236 1.39126 428.6 50.4 47.8 5.9
45 0 0 6 34.402 68.804 1.36333 129.2 15.2 14.4 5.9
46 3 3 2 34.877 69.754 1.34707 109.6 12.9 12.2 5.9
47 5 1 0 35.347 70.694 1.33145 8.8 1.0 1.0 5.9
48 4 2 2 35.534 71.068 1.32536 10.6 1.3 1.2 5.9
49 3 2 4 36.092 72.183 1.3076 8.8 1.0 1.0 5.9
50 1 1 6 36.368 72.736 1.29902 84.0 9.9 9.3 6.0
51 1 4 4 37.382 74.764 1.26873 32.8 3.9 3.6 6.0
52 3 3 3 37.543 75.086 1.26409 13.7 1.6 1.5 6.0
53 2 4 3 38.181 76.363 1.2461 48.5 5.7 5.3 6.0
54 6 0 0 38.568 77.136 1.23553 30.0 3.5 3.3 6.0
55 4 0 5 38.905 77.811 1.22649 45.0 5.3 4.9 6.0
56 3 4 0 39.201 78.402 1.21872 37.6 4.4 4.1 6.0
57 1 5 3 40.077 80.154 1.19643 16.7 2.0 1.8 6.0
58 3 0 6 40.187 80.374 1.19371 52.7 6.2 5.7 6.0
59 5 2 0 40.459 80.917 1.18706 20.8 2.4 2.3 6.1
60 6 0 2 40.637 81.274 1.18274 13.6 1.6 1.5 6.1
61 5 2 1 40.972 81.945 1.17475 39.6 4.7 4.3 6.1
62 4 3 2 41.262 82.524 1.16797 23.3 2.7 2.5 6.1
63 1 0 7 41.859 83.719 1.15432 9.4 1.1 1.0 6.1
64 1 4 5 42.039 84.078 1.1503 35.4 4.2 3.8 6.1
65 3 1 6 42.681 85.363 1.13624 25.4 3.0 2.7 6.1
66 6 1 0 42.95 85.9 1.1305 26.7 3.1 2.9 6.1
67 6 0 3 43.193 86.386 1.12538 12.2 1.4 1.3 6.1
68 4 3 3 43.813 87.625 1.11264 9.0 1.1 1.0 6.2
69 6 1 2 44.984 89.968 1.08964 12.6 1.5 1.3 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)
|