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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HEIMAEYITE
1, t-heimaeyite
Na(3)Al[SO(4)](3)
Hexagonal R 3(-) Z = 6
R =0.0442 NR =550
4 .3 .26
Ref.Str.:
T. Balic-Zunic, A. Garavelli, D. Mitolo, F. Nestola, M.G. Pamato,
M.B. Rasmussen, M.B. Jolnaes (2025)
* Eur. J. Mineral., 37, 79-89, doi.org/10.5194/ejm-37-79-2025
L: $Na2.93 Al0.82 Fe0.25 S2.99 O12.05$
R: Locality - Eldfell volcano, Heimaey island, Iceland.
IMA2023-127a. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.4326 alpha = 90.0
b = 13.4326 beta = 90.0
c = 8.9818 gamma = 120.0
Unit cell volume (cub. angs.) = 1403.51
Molar volume ( cub.cm/mol.) = 140.9
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5062 0.1471 0.0992 0.0 S = 1.00
2 0.0 0.0 0.0 0.0 Al = 1.00
3 0.3333 0.6667 0.1667 0.0 Al = 0.85, Fe = 0.15
4 0.1107 0.373 0.0184 0.0 Na = 1.00
5 0.3817 0.0762 0.1073 0.0 O = 1.00
6 0.5383 0.2342 0.218 0.0 O = 1.00
7 0.5338 0.2072 0.9549 0.0 O = 1.00
8 0.5652 0.0827 0.1173 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5062 0.1471 0.0992
2 2 0.0 0.0 0.0
3 3 0.3333 0.6667 0.1667
4 4 0.1107 0.373 0.0184
5 5 0.3817 0.0762 0.1073
6 6 0.5383 0.2342 0.218
7 7 0.5338 0.2072 0.9549
8 8 0.5652 0.0827 0.1173
9 1 0.8529 0.3591 0.0992
10 1 0.641 0.4938 0.0992
11 4 0.627 0.7377 0.0184
12 4 0.2623 0.8893 0.0184
13 5 0.9238 0.3055 0.1073
14 5 0.6945 0.6183 0.1073
15 6 0.7658 0.3041 0.218
16 6 0.6959 0.4617 0.218
17 7 0.7928 0.3266 0.9549
18 7 0.6734 0.4662 0.9549
19 8 0.9173 0.4825 0.1173
20 8 0.5175 0.4348 0.1173
21 1 0.5196 0.6924 0.4325
22 1 0.9743 0.1605 0.7658
23 2 0.6667 0.3333 0.3333
24 2 0.3333 0.6667 0.6667
25 3 0.0 0.0 0.5
26 3 0.6667 0.3333 0.8333
27 4 0.2937 0.071 0.3517
28 4 0.5957 0.556 0.6851
29 5 0.5905 0.6388 0.4406
30 5 0.0278 0.285 0.774
31 6 0.4325 0.6374 0.5513
32 6 0.0292 0.1284 0.8847
33 7 0.4595 0.6599 0.2882
34 7 0.0067 0.1329 0.6216
35 8 0.584 0.8158 0.4506
36 8 0.8508 0.1015 0.784
37 1 0.3076 0.8272 0.4325
38 1 0.8395 0.8138 0.7658
39 1 0.1728 0.4804 0.4325
40 1 0.1862 0.0257 0.7658
41 4 0.929 0.2227 0.3517
42 4 0.444 0.0397 0.6851
43 4 0.7773 0.7063 0.3517
44 4 0.9603 0.4043 0.6851
45 5 0.3612 0.9516 0.4406
46 5 0.715 0.7429 0.774
47 5 0.0484 0.4095 0.4406
48 5 0.2571 0.9721 0.774
49 6 0.3626 0.795 0.5513
50 6 0.8716 0.9009 0.8847
51 6 0.205 0.5675 0.5513
52 6 0.0991 0.9707 0.8847
53 7 0.3401 0.7995 0.2882
54 7 0.8671 0.8739 0.6216
55 7 0.2005 0.5405 0.2882
56 7 0.1261 0.9932 0.6216
57 8 0.1842 0.7681 0.4506
58 8 0.8985 0.7494 0.784
59 8 0.2319 0.416 0.4506
60 8 0.2506 0.1491 0.784
61 1 0.4938 0.8529 0.9008
62 4 0.8893 0.627 0.9816
63 5 0.6183 0.9238 0.8927
64 6 0.4617 0.7658 0.782
65 7 0.4662 0.7928 0.0451
66 8 0.4348 0.9173 0.8827
67 1 0.1471 0.6409 0.9008
68 1 0.359 0.5062 0.9008
69 4 0.373 0.2623 0.9816
70 4 0.7377 0.1107 0.9816
71 5 0.0762 0.6945 0.8927
72 5 0.3055 0.3817 0.8927
73 6 0.2342 0.6959 0.782
74 6 0.3041 0.5383 0.782
75 7 0.2072 0.6734 0.0451
76 7 0.3266 0.5338 0.0451
77 8 0.0827 0.5175 0.8827
78 8 0.4825 0.5652 0.8827
79 1 0.4804 0.3076 0.5675
80 1 0.0257 0.8395 0.2342
81 4 0.7063 0.929 0.6483
82 4 0.4043 0.444 0.3149
83 5 0.4095 0.3612 0.5594
84 5 0.9722 0.715 0.226
85 6 0.5675 0.3626 0.4487
86 6 0.9708 0.8716 0.1153
87 7 0.5405 0.3401 0.7118
88 7 0.9933 0.8671 0.3784
89 8 0.416 0.1842 0.5494
90 8 0.1492 0.8985 0.216
91 1 0.6924 0.1728 0.5675
92 1 0.1605 0.1862 0.2342
93 1 0.8272 0.5196 0.5675
94 1 0.8138 0.9743 0.2342
95 4 0.071 0.7773 0.6483
96 4 0.556 0.9603 0.3149
97 4 0.2227 0.2937 0.6483
98 4 0.0397 0.5957 0.3149
99 5 0.6388 0.0484 0.5594
100 5 0.285 0.2571 0.226
101 5 0.9516 0.5905 0.5594
102 5 0.7429 0.0279 0.226
103 6 0.6374 0.205 0.4487
104 6 0.1284 0.0991 0.1153
105 6 0.795 0.4325 0.4487
106 6 0.9009 0.0293 0.1153
107 7 0.6599 0.2005 0.7118
108 7 0.1329 0.1261 0.3784
109 7 0.7995 0.4595 0.7118
110 7 0.8739 0.0068 0.3784
111 8 0.8158 0.2319 0.5494
112 8 0.1015 0.2506 0.216
113 8 0.7681 0.584 0.5494
114 8 0.7494 0.8509 0.216
X-ray density (g/cm cub.) = 2.74
MU (1/cm) = 108.808 Mass attenuation coefficient (cm**2/g) = 39.697
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 S 1.98 4
1.4544 5
1.4796 6
1.4727 7
1.4456 8
2 Al 2.316 6
1.877 6
1.8772 6
1.8771 6
1.877 6
1.8772 6
1.8771 6
3 Al ,Fe 2.592 6
2.0553 7
2.0553 7
2.0553 7
2.0553 7
2.0553 7
2.0553 7
4 Na 2.808 6
2.3418 5
2.4781 5
2.7984 5
2.6213 7
2.4747 8
2.3801 8
5 O 3.264 4
2.3353 6
2.3557 7
2.4241 8
2.9918 8
6 O 3.264 8
2.3353 5
2.387 7
2.4136 8
2.7113 6
2.7113 6
2.9848 8
2.5967 6
2.5967 6
7 O 3.264 7
2.3557 5
2.387 6
2.4099 8
3.016 7
3.016 7
2.793 7
2.793 7
8 O 3.264 6
2.4241 5
2.4136 6
2.4099 7
2.9848 6
2.9245 8
2.9919 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 1 0 1 6.22 12.44 0.07 167.4 6 15.5 12.3
2 1 1 0 6.586 13.171 0.074 149.09 6 97.6 432.7
3 2 0 -1 9.078 18.155 0.102 77.41 6 37.3 32.8
4 1 0 -2 10.595 21.189 0.119 56.26 6 134.6 310.5
5 1 2 -1 11.248 22.496 0.127 49.67 6 168.6 430.0
6 2 1 1 11.248 22.496 0.127 49.67 6 100.3 152.1
7 3 0 0 11.458 22.916 0.129 47.79 6 4.9 0.3
8 2 0 2 12.515 25.03 0.141 39.72 6 70.8 60.7
9 2 2 0 13.26 26.521 0.149 35.16 6 80.6 69.6
10 1 2 2 14.192 28.384 0.159 30.44 6 347.9 1122.4
11 2 1 -2 14.192 28.384 0.159 30.44 6 185.1 317.6
12 1 3 1 14.695 29.391 0.165 28.26 6 321.1 887.4
13 3 1 -1 14.695 29.391 0.165 28.26 6 184.3 292.4
14 0 0 3 14.909 29.817 0.167 27.4 2 24.7 1.7
15 4 0 1 16.165 32.329 0.181 23.02 6 67.9 32.4
16 1 1 -3 16.361 32.722 0.183 22.43 6 89.8 55.1
17 1 1 3 16.361 32.722 0.183 22.43 6 163.3 182.2
18 1 3 -2 17.096 34.191 0.191 20.39 6 118.3 86.9
19 3 1 2 17.096 34.191 0.191 20.39 6 59.8 22.2
20 2 3 -1 17.524 35.047 0.195 19.32 6 187.5 206.8
21 3 2 1 17.524 35.047 0.195 19.32 6 76.0 34.0
22 1 4 0 17.664 35.328 0.197 18.99 6 5.1 0.2
23 4 1 0 17.664 35.328 0.197 18.99 6 99.6 57.4
24 4 0 -2 18.394 36.788 0.205 17.37 6 76.6 31.0
25 3 0 -3 18.968 37.936 0.211 16.23 6 120.0 71.2
26 3 0 3 18.968 37.936 0.211 16.23 6 184.6 168.5
27 2 3 2 19.618 39.236 0.218 15.07 6 42.1 8.1
28 3 2 -2 19.618 39.236 0.218 15.07 6 56.9 14.9
29 5 0 -1 19.999 39.998 0.222 14.44 6 177.3 138.3
30 3 3 0 20.125 40.249 0.223 14.24 6 52.3 11.8
31 2 2 -3 20.162 40.325 0.224 14.18 6 47.5 9.8
32 2 2 3 20.162 40.325 0.224 14.18 6 14.2 0.9
33 1 0 4 20.449 40.898 0.227 13.74 6 57.5 13.8
34 2 4 1 21.144 42.289 0.234 12.75 6 113.7 50.2
35 4 2 -1 21.144 42.289 0.234 12.75 6 27.4 2.9
36 2 0 -4 21.575 43.15 0.239 12.19 6 102.6 39.1
37 5 0 2 21.893 43.785 0.242 11.79 6 3.1 0.0
38 1 5 -1 22.242 44.483 0.246 11.38 6 12.9 0.6
39 5 1 1 22.242 44.483 0.246 11.38 6 265.7 244.6
40 1 2 -4 22.655 45.311 0.25 10.92 6 152.6 77.4
41 2 1 4 22.655 45.311 0.25 10.92 6 92.6 28.5
42 2 4 -2 22.961 45.922 0.253 10.59 6 153.6 76.1
43 4 2 2 22.961 45.922 0.253 10.59 6 73.3 17.3
44 6 0 0 23.409 46.818 0.258 10.14 6 114.0 40.1
45 1 4 -3 23.442 46.885 0.258 10.1 6 76.2 17.9
46 1 4 3 23.442 46.885 0.258 10.1 6 96.2 28.5
47 4 1 -3 23.442 46.885 0.258 10.1 6 9.4 0.3
48 4 1 3 23.442 46.885 0.258 10.1 6 100.2 30.9
49 1 5 2 23.992 47.985 0.264 9.59 6 43.8 5.6
50 5 1 -2 23.992 47.985 0.264 9.59 6 45.8 6.1
51 3 4 -1 24.318 48.636 0.267 9.3 6 90.1 23.0
52 4 3 1 24.318 48.636 0.267 9.3 6 97.2 26.8
53 2 5 0 24.426 48.852 0.268 9.2 6 103.7 30.2
54 5 2 0 24.426 48.852 0.268 9.2 6 110.0 33.9
55 1 3 4 24.705 49.409 0.271 8.97 6 100.6 27.7
56 3 1 -4 24.705 49.409 0.271 8.97 6 63.6 11.1
57 3 3 -3 25.443 50.887 0.279 8.39 6 188.7 91.0
58 3 3 3 25.443 50.887 0.279 8.39 6 41.6 4.4
59 4 0 4 25.683 51.366 0.281 8.21 6 129.1 41.7
60 1 0 -5 25.714 51.428 0.282 8.19 6 113.4 32.1
61 3 4 2 25.962 51.924 0.284 8.01 6 123.2 37.0
62 4 3 -2 25.962 51.924 0.284 8.01 6 74.4 13.5
63 1 6 1 26.269 52.539 0.287 7.8 6 23.7 1.3
64 6 1 -1 26.269 52.539 0.287 7.8 6 132.2 41.5
65 2 3 -4 26.635 53.271 0.291 7.56 6 99.5 22.8
66 3 2 4 26.635 53.271 0.291 7.56 6 82.1 15.5
67 2 0 5 26.666 53.331 0.291 7.54 6 171.5 67.5
68 4 4 0 27.307 54.613 0.298 7.14 6 71.1 11.0
69 1 2 5 27.594 55.189 0.301 6.97 6 137.0 39.9
70 2 1 -5 27.594 55.189 0.301 6.97 6 152.0 49.1
71 1 6 -2 27.83 55.66 0.303 6.84 6 30.3 1.9
72 6 1 2 27.83 55.66 0.303 6.84 6 64.9 8.8
73 3 5 1 28.124 56.247 0.306 6.68 6 177.4 64.0
74 5 3 -1 28.124 56.247 0.306 6.68 6 35.3 2.5
75 7 0 1 28.124 56.247 0.306 6.68 6 52.2 5.6
76 6 0 -3 28.25 56.5 0.307 6.61 6 47.0 4.4
77 6 0 3 28.25 56.5 0.307 6.61 6 45.9 4.2
78 5 0 -4 28.473 56.946 0.309 6.49 6 195.0 75.2
79 2 6 -1 29.021 58.041 0.315 6.22 6 22.5 1.0
80 6 2 1 29.021 58.041 0.315 6.22 6 103.7 20.4
81 2 5 -3 29.145 58.29 0.316 6.16 6 81.5 12.5
82 2 5 3 29.145 58.29 0.316 6.16 6 198.5 74.0
83 5 2 -3 29.145 58.29 0.316 6.16 6 57.2 6.1
84 5 2 3 29.145 58.29 0.316 6.16 6 10.9 0.2
85 2 4 4 29.363 58.727 0.318 6.06 6 48.4 4.3
86 4 2 -4 29.363 58.727 0.318 6.06 6 245.3 111.0
87 1 3 -5 29.392 58.784 0.319 6.04 6 34.0 2.1
88 3 1 5 29.392 58.784 0.319 6.04 6 56.0 5.8
89 3 5 -2 29.619 59.237 0.321 5.94 6 179.7 58.4
90 5 3 2 29.619 59.237 0.321 5.94 6 57.9 6.1
91 7 0 -2 29.619 59.237 0.321 5.94 6 58.7 6.2
92 1 7 0 29.994 59.989 0.325 5.78 6 131.9 30.6
93 7 1 0 29.994 59.989 0.325 5.78 6 194.2 66.3
94 1 5 -4 30.237 60.475 0.327 5.67 6 67.3 7.8
95 5 1 4 30.237 60.475 0.327 5.67 6 185.3 59.3
96 4 0 -5 30.265 60.531 0.327 5.66 6 65.8 7.5
97 2 6 2 30.488 60.976 0.329 5.57 6 130.4 28.9
98 6 2 -2 30.488 60.976 0.329 5.57 6 11.6 0.2
99 0 0 6 30.968 61.936 0.334 5.38 2 86.3 4.1
100 2 3 5 31.124 62.248 0.336 5.32 6 60.6 6.0
101 3 2 -5 31.124 62.248 0.336 5.32 6 38.9 2.5
102 4 5 -1 31.616 63.232 0.34 5.14 6 124.3 24.2
103 5 4 1 31.616 63.232 0.34 5.14 6 83.8 11.0
104 3 6 0 31.706 63.413 0.341 5.11 6 50.7 4.0
105 6 3 0 31.706 63.413 0.341 5.11 6 29.6 1.4
106 4 4 -3 31.734 63.467 0.341 5.1 6 171.5 45.7
107 4 4 3 31.734 63.467 0.341 5.1 6 122.1 23.2
108 1 1 -6 31.816 63.631 0.342 5.07 6 10.9 0.2
109 1 1 6 31.816 63.631 0.342 5.07 6 22.3 0.8
110 3 4 -4 31.942 63.884 0.343 5.03 6 37.7 2.2
111 4 3 4 31.942 63.884 0.343 5.03 6 183.8 51.7
112 8 0 -1 32.454 64.908 0.348 4.86 6 168.8 42.1
113 5 0 5 32.802 65.604 0.352 4.75 6 2.5 0.0
114 4 5 2 33.015 66.03 0.354 4.68 6 44.1 2.8
115 5 4 -2 33.015 66.03 0.354 4.68 6 187.5 50.1
116 2 7 1 33.28 66.561 0.356 4.6 6 59.3 4.9
117 7 2 -1 33.28 66.561 0.356 4.6 6 91.5 11.7
118 3 0 -6 33.475 66.95 0.358 4.54 6 155.5 33.5
119 3 0 6 33.475 66.95 0.358 4.54 6 35.0 1.7
120 1 6 4 33.598 67.196 0.359 4.51 6 44.9 2.8
121 6 1 -4 33.598 67.196 0.359 4.51 6 112.6 17.4
122 2 4 -5 33.624 67.249 0.359 4.5 6 60.5 5.0
123 4 2 5 33.624 67.249 0.359 4.5 6 48.7 3.3
124 8 0 2 33.835 67.669 0.361 4.44 6 122.0 20.2
125 1 7 -3 34.21 68.421 0.365 4.34 6 29.5 1.2
126 1 7 3 34.21 68.421 0.365 4.34 6 82.5 9.0
127 7 1 -3 34.21 68.421 0.365 4.34 6 3.0 0.0
128 7 1 3 34.21 68.421 0.365 4.34 6 70.7 6.6
129 2 2 -6 34.289 68.578 0.366 4.32 6 68.3 6.1
130 2 2 6 34.289 68.578 0.366 4.32 6 196.6 50.9
131 1 5 5 34.437 68.874 0.367 4.28 6 6.4 0.1
132 5 1 -5 34.437 68.874 0.367 4.28 6 78.2 8.0
133 2 7 -2 34.645 69.29 0.369 4.23 6 67.9 5.9
134 7 2 2 34.645 69.29 0.369 4.23 6 54.1 3.8
135 1 8 -1 34.904 69.808 0.371 4.17 6 147.0 27.4
136 8 1 1 34.904 69.808 0.371 4.17 6 25.1 0.8
137 5 5 0 34.991 69.981 0.372 4.15 6 41.0 2.1
138 3 5 4 35.215 70.429 0.374 4.09 6 54.1 3.7
139 5 3 -4 35.215 70.429 0.374 4.09 6 33.4 1.4
140 7 0 4 35.215 70.429 0.374 4.09 6 91.4 10.4
141 4 6 1 35.703 71.406 0.379 3.98 6 11.5 0.2
142 6 4 -1 35.703 71.406 0.379 3.98 6 87.8 9.4
143 3 6 -3 35.814 71.629 0.38 3.96 6 74.7 6.7
144 3 6 3 35.814 71.629 0.38 3.96 6 17.9 0.4
145 6 3 -3 35.814 71.629 0.38 3.96 6 198.2 47.4
146 6 3 3 35.814 71.629 0.38 3.96 6 51.3 3.2
147 2 6 -4 36.011 72.021 0.382 3.92 6 126.6 19.1
148 6 2 4 36.011 72.021 0.382 3.92 6 4.8 0.0
149 3 4 5 36.036 72.073 0.382 3.91 6 122.2 17.8
150 4 3 -5 36.036 72.073 0.382 3.91 6 36.1 1.5
151 1 8 2 36.24 72.48 0.384 3.87 6 111.9 14.8
152 8 1 -2 36.24 72.48 0.384 3.87 6 129.8 19.9
153 3 7 -1 36.495 72.99 0.386 3.82 6 123.5 17.7
154 7 3 1 36.495 72.99 0.386 3.82 6 70.0 5.7
155 9 0 0 36.579 73.159 0.387 3.8 6 13.3 0.2
156 1 4 -6 36.681 73.363 0.388 3.78 6 84.7 8.3
157 1 4 6 36.681 73.363 0.388 3.78 6 107.2 13.2
158 4 1 -6 36.681 73.363 0.388 3.78 6 9.8 0.1
159 4 1 6 36.681 73.363 0.388 3.78 6 74.5 6.4
160 4 6 -2 37.027 74.054 0.391 3.71 6 113.6 14.6
161 6 4 2 37.027 74.054 0.391 3.71 6 219.5 54.5
162 1 0 7 37.154 74.308 0.392 3.69 6 133.2 20.0
163 2 8 0 37.364 74.727 0.394 3.65 6 56.0 3.5
164 8 2 0 37.364 74.727 0.394 3.65 6 6.4 0.0
165 1 6 -5 37.607 75.215 0.396 3.61 6 9.6 0.1
166 6 1 5 37.607 75.215 0.396 3.61 6 33.9 1.3
167 3 7 2 37.808 75.616 0.398 3.58 6 95.6 10.0
168 7 3 -2 37.808 75.616 0.398 3.58 6 40.1 1.7
169 2 0 -7 37.934 75.868 0.399 3.55 6 51.5 2.9
170 3 3 -6 38.243 76.485 0.402 3.5 6 82.2 7.2
171 3 3 6 38.243 76.485 0.402 3.5 6 2.4 0.0
172 4 5 -4 38.359 76.718 0.403 3.49 6 46.1 2.3
173 5 4 4 38.359 76.718 0.403 3.49 6 78.5 6.5
174 1 2 -7 38.709 77.417 0.406 3.43 6 226.0 53.4
175 2 1 7 38.709 77.417 0.406 3.43 6 37.1 1.4
176 5 5 -3 38.94 77.881 0.408 3.4 6 28.4 0.8
177 5 5 3 38.94 77.881 0.408 3.4 6 122.6 15.6
178 8 0 -4 39.131 78.262 0.41 3.37 6 5.8 0.0
179 3 5 -5 39.156 78.312 0.41 3.37 6 51.7 2.7
180 5 3 5 39.156 78.312 0.41 3.37 6 19.7 0.4
181 7 0 -5 39.156 78.312 0.41 3.37 6 84.6 7.3
182 1 9 1 39.602 79.204 0.414 3.31 6 2.9 0.0
183 5 6 -1 39.602 79.204 0.414 3.31 6 19.3 0.4
184 6 5 1 39.602 79.204 0.414 3.31 6 14.6 0.2
185 9 1 -1 39.602 79.204 0.414 3.31 6 23.3 0.5
186 4 7 0 39.684 79.369 0.414 3.3 6 282.7 80.2
187 7 4 0 39.684 79.369 0.414 3.3 6 126.4 16.0
188 2 7 4 39.899 79.797 0.416 3.27 6 101.4 10.2
189 7 2 -4 39.899 79.797 0.416 3.27 6 30.8 0.9
190 2 6 5 39.924 79.847 0.417 3.26 6 85.5 7.3
191 6 2 -5 39.924 79.847 0.417 3.26 6 26.4 0.7
192 1 3 7 40.245 80.489 0.419 3.22 6 66.6 4.4
193 3 1 -7 40.245 80.489 0.419 3.22 6 15.7 0.2
194 9 0 -3 40.474 80.948 0.421 3.2 6 28.8 0.8
195 9 0 3 40.474 80.948 0.421 3.2 6 77.5 5.8
196 6 0 -6 40.548 81.096 0.422 3.19 6 142.2 19.6
197 6 0 6 40.548 81.096 0.422 3.19 6 3.6 0.0
198 1 9 -2 40.884 81.768 0.425 3.15 6 122.5 14.4
199 5 6 2 40.884 81.768 0.425 3.15 6 135.2 17.6
200 6 5 -2 40.884 81.768 0.425 3.15 6 14.2 0.2
201 9 1 2 40.884 81.768 0.425 3.15 6 37.5 1.3
202 4 0 7 41.007 82.014 0.426 3.14 6 59.3 3.4
203 3 8 1 41.129 82.258 0.427 3.12 6 82.0 6.4
204 8 3 -1 41.129 82.258 0.427 3.12 6 29.4 0.8
205 2 8 -3 41.236 82.471 0.428 3.11 6 99.6 9.4
206 2 8 3 41.236 82.471 0.428 3.11 6 67.9 4.4
207 8 2 -3 41.236 82.471 0.428 3.11 6 47.3 2.1
208 8 2 3 41.236 82.471 0.428 3.11 6 93.7 8.3
209 2 5 -6 41.309 82.619 0.428 3.11 6 157.5 23.5
210 2 5 6 41.309 82.619 0.428 3.11 6 160.3 24.3
211 5 2 -6 41.309 82.619 0.428 3.11 6 0.2 0.0
212 5 2 6 41.309 82.619 0.428 3.11 6 61.3 3.6
213 1 8 -4 41.424 82.847 0.429 3.09 6 84.2 6.7
214 8 1 4 41.424 82.847 0.429 3.09 6 10.4 0.1
215 2 3 -7 41.767 83.534 0.432 3.06 6 114.8 12.3
216 3 2 7 41.767 83.534 0.432 3.06 6 118.6 13.1
217 10 0 1 41.888 83.777 0.433 3.05 6 40.1 1.5
218 4 6 4 42.182 84.364 0.436 3.02 6 147.1 19.9
219 6 4 -4 42.182 84.364 0.436 3.02 6 115.9 12.4
220 4 5 5 42.207 84.413 0.436 3.02 6 162.0 24.1
221 5 4 -5 42.207 84.413 0.436 3.02 6 38.5 1.4
222 3 8 -2 42.402 84.803 0.438 3.0 6 19.5 0.3
223 8 3 2 42.402 84.803 0.438 3.0 6 54.2 2.7
224 2 9 -1 42.646 85.291 0.44 2.98 6 24.7 0.6
225 9 2 1 42.646 85.291 0.44 2.98 6 19.3 0.3
226 3 7 -4 42.938 85.877 0.442 2.96 6 133.6 16.1
227 7 3 4 42.938 85.877 0.442 2.96 6 74.9 5.1
228 8 0 5 42.963 85.926 0.442 2.96 6 21.6 0.4
229 10 0 -2 43.158 86.315 0.444 2.94 6 93.5 7.8
230 5 0 -7 43.28 86.56 0.445 2.93 6 10.1 0.1
231 6 6 0 43.482 86.964 0.447 2.92 6 129.7 15.0
232 4 7 -3 43.507 87.013 0.447 2.92 6 80.4 5.7
233 4 7 3 43.507 87.013 0.447 2.92 6 107.0 10.2
234 7 4 -3 43.507 87.013 0.447 2.92 6 162.1 23.3
235 7 4 3 43.507 87.013 0.447 2.92 6 189.4 31.9
236 1 0 -8 43.572 87.144 0.447 2.91 6 194.2 33.4
237 4 4 -6 43.58 87.16 0.447 2.91 6 146.9 19.1
238 4 4 6 43.58 87.16 0.447 2.91 6 25.0 0.6
239 2 7 -5 43.718 87.436 0.449 2.9 6 129.0 14.7
240 7 2 5 43.718 87.436 0.449 2.9 6 65.8 3.8
241 2 9 2 43.912 87.824 0.45 2.89 6 34.3 1.0
242 9 2 -2 43.912 87.824 0.45 2.89 6 83.8 6.2
243 2 4 7 44.034 88.069 0.451 2.88 6 1.1 0.0
244 4 2 -7 44.034 88.069 0.451 2.88 6 56.5 2.8
245 5 7 1 44.155 88.311 0.452 2.87 6 0.6 0.0
246 7 5 -1 44.155 88.311 0.452 2.87 6 79.2 5.5
247 1 10 0 44.236 88.473 0.453 2.87 6 104.4 9.5
248 10 1 0 44.236 88.473 0.453 2.87 6 35.3 1.1
249 2 0 8 44.326 88.653 0.454 2.86 6 39.1 1.3
250 1 5 -7 44.788 89.576 0.457 2.84 6 13.5 0.2
251 5 1 7 44.788 89.576 0.457 2.84 6 81.5 5.7
252 4 8 -1 44.909 89.818 0.458 2.83 6 16.8 0.2
253 8 4 1 44.909 89.818 0.458 2.83 6 51.7 2.3
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 1 0 6.586 13.171 6.7163 432.7 30.0 30.4 5.6
2 2 0 1 9.078 18.155 4.88217 32.8 2.3 2.3 5.6
3 1 0 2 10.595 21.189 4.18955 310.5 21.6 21.7 5.6
4 1 2 1 11.248 22.496 3.94906 582.2 40.4 40.6 5.6
5 2 0 2 12.515 25.03 3.55466 60.7 4.2 4.2 5.6
6 2 2 0 13.26 26.521 3.35815 69.6 4.8 4.8 5.6
7 1 2 2 14.192 28.384 3.14177 1440.0 100.0 100.0 5.6
8 1 3 1 14.695 29.391 3.03644 1179.8 81.9 81.9 5.6
9 4 0 1 16.165 32.329 2.76682 32.4 2.2 2.2 5.6
10 1 1 3 16.361 32.722 2.73454 237.3 16.5 16.4 5.6
11 1 3 2 17.096 34.191 2.62029 109.1 7.6 7.5 5.7
12 2 3 1 17.524 35.047 2.55824 240.8 16.7 16.6 5.7
13 4 1 0 17.664 35.328 2.53852 57.4 4.0 4.0 5.7
14 4 0 2 18.394 36.788 2.44109 31.0 2.2 2.1 5.7
15 3 0 3 18.968 37.936 2.36978 239.7 16.6 16.5 5.7
16 3 2 2 19.618 39.236 2.29425 23.0 1.6 1.6 5.7
17 5 0 1 19.999 39.998 2.25226 138.3 9.6 9.5 5.7
18 2 4 1 21.144 42.289 2.13539 53.1 3.7 3.6 5.7
19 2 0 4 21.575 43.15 2.09477 39.1 2.7 2.7 5.7
20 5 1 1 22.242 44.483 2.03501 244.6 17.0 16.7 5.7
21 1 2 4 22.655 45.311 1.99976 105.9 7.4 7.2 5.7
22 2 4 2 22.961 45.922 1.97453 93.5 6.5 6.4 5.7
23 6 0 0 23.409 46.818 1.93883 40.1 2.8 2.7 5.7
24 4 1 3 23.442 46.885 1.93622 77.5 5.4 5.3 5.7
25 4 3 1 24.318 48.636 1.87052 49.8 3.5 3.4 5.7
26 5 2 0 24.426 48.852 1.86277 64.1 4.4 4.4 5.7
27 1 3 4 24.705 49.409 1.84304 38.7 2.7 2.6 5.7
28 3 3 3 25.443 50.887 1.79293 95.4 6.6 6.5 5.8
29 4 0 4 25.683 51.366 1.77733 41.7 2.9 2.8 5.8
30 1 0 5 25.714 51.428 1.77532 32.1 2.2 2.2 5.8
31 3 4 2 25.962 51.924 1.75955 50.5 3.5 3.4 5.8
32 6 1 1 26.269 52.539 1.74039 42.9 3.0 2.9 5.8
33 2 3 4 26.635 53.271 1.71819 38.3 2.7 2.6 5.8
34 2 0 5 26.666 53.331 1.71637 67.5 4.7 4.6 5.8
35 2 1 5 27.594 55.189 1.66293 88.9 6.2 6.0 5.8
36 3 5 1 28.124 56.247 1.63412 72.1 5.0 4.9 5.8
37 5 0 4 28.473 56.946 1.6157 75.2 5.2 5.1 5.8
38 6 2 1 29.021 58.041 1.5878 20.4 1.4 1.4 5.8
39 2 5 3 29.145 58.29 1.58162 92.8 6.4 6.2 5.8
40 3 1 5 29.392 58.784 1.56949 123.2 8.6 8.3 5.8
41 3 5 2 29.619 59.237 1.55856 70.7 4.9 4.7 5.8
42 7 1 0 29.994 59.989 1.54082 96.9 6.7 6.5 5.8
43 5 1 4 30.237 60.475 1.5296 74.6 5.2 5.0 5.8
44 2 6 2 30.488 60.976 1.51822 29.1 2.0 1.9 5.8
45 4 5 1 31.616 63.232 1.46938 35.2 2.4 2.3 5.9
46 4 4 3 31.734 63.467 1.46449 74.2 5.2 5.0 5.9
47 4 3 4 31.942 63.884 1.45595 53.9 3.7 3.6 5.9
48 8 0 1 32.454 64.908 1.43543 42.1 2.9 2.8 5.9
49 5 4 2 33.015 66.03 1.41372 52.9 3.7 3.5 5.9
50 7 2 1 33.28 66.561 1.40373 16.7 1.2 1.1 5.9
51 3 0 6 33.475 66.95 1.39652 35.2 2.4 2.3 5.9
52 4 2 5 33.624 67.249 1.39103 28.5 2.0 1.9 5.9
53 8 0 2 33.835 67.669 1.38341 20.2 1.4 1.3 5.9
54 7 1 3 34.21 68.421 1.37003 16.8 1.2 1.1 5.9
55 2 2 6 34.289 68.578 1.36727 57.0 4.0 3.8 5.9
56 1 8 1 34.904 69.808 1.34616 28.2 2.0 1.9 5.9
57 7 0 4 35.215 70.429 1.3358 15.5 1.1 1.0 5.9
58 6 3 3 35.814 71.629 1.31635 57.7 4.0 3.8 5.9
59 2 6 4 36.011 72.021 1.31014 38.5 2.7 2.5 5.9
60 8 1 2 36.24 72.48 1.30297 34.6 2.4 2.3 5.9
61 3 7 1 36.495 72.99 1.29513 23.4 1.6 1.5 6.0
62 1 4 6 36.681 73.363 1.28946 28.0 1.9 1.8 6.0
63 6 4 2 37.027 74.054 1.27912 69.1 4.8 4.5 6.0
64 1 0 7 37.154 74.308 1.27538 20.0 1.4 1.3 6.0
65 1 2 7 38.709 77.417 1.23174 54.8 3.8 3.6 6.0
66 5 5 3 38.94 77.881 1.22556 15.6 1.1 1.0 6.0
67 4 7 0 39.684 79.369 1.20628 96.2 6.7 6.2 6.0
68 2 7 4 39.899 79.797 1.20088 19.1 1.3 1.2 6.0
69 6 0 6 40.548 81.096 1.18489 19.7 1.4 1.3 6.1
70 5 6 2 40.884 81.768 1.17685 33.5 2.3 2.2 6.1
71 2 8 3 41.236 82.471 1.16858 24.2 1.7 1.6 6.1
72 2 5 6 41.309 82.619 1.16687 51.3 3.6 3.3 6.1
73 3 2 7 41.767 83.534 1.1564 25.4 1.8 1.6 6.1
74 4 5 5 42.207 84.413 1.14658 57.8 4.0 3.7 6.1
75 3 7 4 42.938 85.877 1.13075 21.5 1.5 1.4 6.1
76 7 4 3 43.507 87.013 1.11888 86.1 6.0 5.5 6.1
77 1 0 8 43.572 87.144 1.11753 53.1 3.7 3.4 6.2
78 2 7 5 43.718 87.436 1.11456 18.5 1.3 1.2 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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