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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MERRIHUEITE
1, t-milarite, Mg, f-gillespite, s-roedderite, DN
K(2)Mg(5)Si(12)O(30)
Hexagonal P 6/mcc Z = 2
R =0.028 NR =528
9 .4 .1990
Ref.Str.:
A.A. Khan, W.H. Baur, W.C. Forbes (1972)
* Acta Cryst., B 28, 267-272
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.222 alpha = 90.0
b = 10.222 beta = 90.0
c = 14.152 gamma = 120.0
Unit cell volume (cub. angs.) = 1280.62
Molar volume ( cub.cm/mol.) = 385.68
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.25 0.0 K = 1.00
2 0.3333 0.6667 0.0 0.0 K = 0.5 , K = 0.0
3 0.3333 0.6667 0.25 0.0 Mg = 1.00
4 0.5 0.0 0.25 0.0 Mg = 1.00
5 0.1126 0.3484 0.1124 0.0 Si = 1.00
6 0.1239 0.3788 0.0 0.0 O = 1.00
7 0.2183 0.2763 0.1396 0.0 O = 1.00
8 0.1551 0.4968 0.1708 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.25
2 2 0.3333 0.6667 0.0
3 3 0.3333 0.6667 0.25
4 4 0.5 0.0 0.25
5 5 0.1126 0.3484 0.1124
6 6 0.1239 0.3788 0.0
7 7 0.2183 0.2763 0.1396
8 8 0.1551 0.4968 0.1708
9 4 0.0 0.5 0.25
10 4 0.5 0.5 0.25
11 5 0.6516 0.7642 0.1124
12 5 0.2358 0.8874 0.1124
13 6 0.6212 0.7451 0.0
14 6 0.2549 0.8761 0.0
15 7 0.7237 0.942 0.1396
16 7 0.058 0.7817 0.1396
17 8 0.5032 0.6583 0.1708
18 8 0.3417 0.8449 0.1708
19 2 0.6667 0.3333 0.0
20 3 0.6667 0.3333 0.25
21 5 0.8874 0.6516 0.1124
22 6 0.8761 0.6212 0.0
23 7 0.7817 0.7237 0.1396
24 8 0.8449 0.5032 0.1708
25 5 0.3484 0.2358 0.1124
26 5 0.7642 0.1126 0.1124
27 6 0.3788 0.2549 0.0
28 6 0.7451 0.1239 0.0
29 7 0.2763 0.058 0.1396
30 7 0.942 0.2183 0.1396
31 8 0.4968 0.3417 0.1708
32 8 0.6583 0.1551 0.1708
33 1 0.0 0.0 0.75
34 2 0.3333 0.6667 0.5
35 3 0.3333 0.6667 0.75
36 4 0.5 0.5 0.75
37 5 0.1126 0.7642 0.6124
38 6 0.1239 0.7451 0.5
39 7 0.2183 0.942 0.6396
40 8 0.1551 0.6583 0.6708
41 4 0.0 0.5 0.75
42 4 0.5 0.0 0.75
43 5 0.6516 0.8874 0.6124
44 5 0.2358 0.3484 0.6124
45 6 0.6212 0.8761 0.5
46 6 0.2549 0.3788 0.5
47 7 0.7237 0.7817 0.6396
48 7 0.058 0.2763 0.6396
49 8 0.5032 0.8449 0.6708
50 8 0.3417 0.4968 0.6708
51 2 0.6667 0.3333 0.5
52 3 0.6667 0.3333 0.75
53 5 0.8874 0.2358 0.6124
54 6 0.8761 0.2549 0.5
55 7 0.7817 0.058 0.6396
56 8 0.8449 0.3417 0.6708
57 5 0.3484 0.1126 0.6124
58 5 0.7642 0.6516 0.6124
59 6 0.3788 0.1239 0.5
60 6 0.7451 0.6212 0.5
61 7 0.2763 0.2183 0.6396
62 7 0.942 0.7237 0.6396
63 8 0.4968 0.1551 0.6708
64 8 0.6583 0.5032 0.6708
65 5 0.1126 0.3484 0.8876
66 7 0.2183 0.2763 0.8604
67 8 0.1551 0.4968 0.8292
68 5 0.6516 0.7642 0.8876
69 5 0.2358 0.8874 0.8876
70 7 0.7237 0.942 0.8604
71 7 0.058 0.7817 0.8604
72 8 0.5032 0.6583 0.8292
73 8 0.3417 0.8449 0.8292
74 5 0.8874 0.6516 0.8876
75 7 0.7817 0.7237 0.8604
76 8 0.8449 0.5032 0.8292
77 5 0.3484 0.2358 0.8876
78 5 0.7642 0.1126 0.8876
79 7 0.2763 0.058 0.8604
80 7 0.942 0.2183 0.8604
81 8 0.4968 0.3417 0.8292
82 8 0.6583 0.1551 0.8292
83 5 0.1126 0.7642 0.3876
84 7 0.2183 0.942 0.3604
85 8 0.1551 0.6583 0.3292
86 5 0.6516 0.8874 0.3876
87 5 0.2358 0.3484 0.3876
88 7 0.7237 0.7817 0.3604
89 7 0.058 0.2763 0.3604
90 8 0.5032 0.8449 0.3292
91 8 0.3417 0.4968 0.3292
92 5 0.8874 0.2358 0.3876
93 7 0.7817 0.058 0.3604
94 8 0.8449 0.3417 0.3292
95 5 0.3484 0.1126 0.3876
96 5 0.7642 0.6516 0.3876
97 7 0.2763 0.2183 0.3604
98 7 0.942 0.7237 0.3604
99 8 0.4968 0.1551 0.3292
100 8 0.6583 0.5032 0.3292
X-ray density (g/cm cub.) = 2.64
MU (1/cm) = 108.41 Mass attenuation coefficient (cm**2/g) = 41.129
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.228 12
3.0158 7
3.0158 7
3.0158 7
3.0158 7
3.0158 7
3.0158 7
3.0158 7
3.0158 7
3.0158 7
3.0158 7
3.0158 7
3.0158 7
2 K ,K 3.228 9
2.6348 6
3.0022 8
2.6349 6
2.6347 6
3.0023 8
3.0022 8
3.0022 8
3.0023 8
3.0022 8
3 Mg 2.52 6
2.1041 8
2.1042 8
2.104 8
2.104 8
2.1041 8
2.1041 8
4 Mg 2.52 4
1.9552 8
1.9552 8
1.9551 8
1.9551 8
5 Si 2.1 4
1.6138 6
1.6294 7
1.5855 8
1.6245 7
6 O 3.264 6
2.635 7
2.6485 8
2.6461 7
2.635 7
2.6485 8
2.6461 7
7 O 3.264 6
2.635 6
2.6737 8
2.646 6
2.5794 7
2.5796 7
2.6159 8
8 O 3.264 8
2.6485 6
2.6737 7
3.0842 8
3.0842 8
3.2041 8
2.616 7
2.784 8
2.9434 8
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 4.992 9.984 0.056 261.18 6 1.0 0.1
2 0 0 2 6.249 12.499 0.071 165.81 2 104.6 221.2
3 1 0 2 8.011 16.022 0.09 100.03 12 15.5 17.7
4 1 1 0 8.668 17.336 0.098 85.12 6 87.2 237.0
5 2 0 0 10.022 20.044 0.113 63.12 6 130.7 394.7
6 1 1 2 10.714 21.429 0.121 54.96 12 65.1 170.3
7 2 0 2 11.845 23.69 0.133 44.58 12 126.0 517.8
8 0 0 4 12.575 25.15 0.141 39.33 2 229.2 252.0
9 2 1 0 13.31 26.619 0.149 34.89 12 36.7 34.4
10 1 0 4 13.56 27.12 0.152 33.54 12 72.6 129.3
11 2 1 1 13.684 27.367 0.154 32.9 24 137.6 912.0
12 2 1 2 14.753 29.506 0.165 28.02 24 21.1 18.2
13 3 0 0 15.132 30.263 0.169 26.54 6 64.3 40.2
14 1 1 4 15.354 30.709 0.172 25.72 12 181.4 619.4
15 2 0 4 16.184 32.368 0.181 22.97 12 165.5 460.3
16 2 1 3 16.394 32.788 0.183 22.33 24 66.5 144.5
17 3 0 2 16.429 32.858 0.184 22.23 12 7.6 0.9
18 2 2 0 17.543 35.086 0.196 19.27 6 213.1 320.3
19 3 1 0 18.284 36.568 0.204 17.6 12 81.0 84.5
20 2 1 4 18.473 36.946 0.206 17.21 24 17.5 7.7
21 3 1 1 18.567 37.134 0.207 17.02 24 59.3 87.7
22 2 2 2 18.692 37.383 0.208 16.77 12 17.8 3.9
23 0 0 6 19.061 38.122 0.212 16.06 2 69.9 9.6
24 3 1 2 19.395 38.79 0.216 15.45 24 24.1 13.1
25 1 0 6 19.753 39.506 0.219 14.84 12 36.3 14.3
26 3 0 4 19.872 39.743 0.221 14.64 12 62.3 41.6
27 4 0 0 20.368 40.736 0.226 13.86 6 16.3 1.3
28 3 1 3 20.712 41.425 0.23 13.35 24 80.4 126.3
29 2 1 5 20.883 41.765 0.231 13.11 24 6.0 0.7
30 1 1 6 21.08 42.16 0.233 12.84 12 6.0 0.3
31 4 0 2 21.388 42.775 0.237 12.43 12 105.6 101.4
32 2 0 6 21.719 43.437 0.24 12.01 12 66.6 39.0
33 2 2 4 21.828 43.657 0.241 11.87 12 74.6 48.3
34 3 2 0 22.289 44.578 0.246 11.32 12 74.2 45.6
35 3 1 4 22.45 44.899 0.248 11.14 24 95.1 147.6
36 3 2 1 22.53 45.06 0.249 11.05 24 10.1 1.6
37 3 2 2 23.241 46.481 0.256 10.3 24 39.1 23.0
38 4 1 0 23.5 46.999 0.259 10.05 12 84.9 53.0
39 2 1 6 23.551 47.101 0.259 10.0 24 4.3 0.3
40 4 1 1 23.731 47.462 0.261 9.83 24 91.7 120.9
41 4 0 4 24.238 48.477 0.266 9.37 12 31.0 6.6
42 3 2 3 24.389 48.779 0.268 9.24 24 18.4 4.6
43 4 1 2 24.414 48.829 0.268 9.21 24 38.7 20.2
44 3 1 5 24.539 49.079 0.27 9.11 24 110.1 161.7
45 3 0 6 24.713 49.427 0.271 8.96 12 48.9 15.7
46 4 1 3 25.523 51.047 0.28 8.33 24 32.1 12.6
47 5 0 0 25.789 51.579 0.282 8.13 6 102.4 31.2
48 0 0 8 25.813 51.626 0.283 8.12 2 354.4 124.3
49 3 2 4 25.933 51.867 0.284 8.03 24 1.7 0.0
50 1 0 8 26.362 52.724 0.288 7.74 12 42.1 10.0
51 2 2 6 26.386 52.772 0.288 7.72 12 156.4 138.2
52 2 1 7 26.433 52.866 0.289 7.69 24 42.5 20.3
53 5 0 2 26.646 53.292 0.291 7.55 12 9.8 0.5
54 3 3 0 26.88 53.761 0.293 7.4 6 117.3 37.2
55 3 1 6 26.927 53.854 0.294 7.37 24 18.6 3.7
56 4 1 4 27.02 54.041 0.295 7.31 24 66.3 47.0
57 4 2 0 27.415 54.829 0.299 7.08 12 60.9 19.2
58 1 1 8 27.437 54.874 0.299 7.06 12 48.2 12.0
59 4 2 1 27.622 55.244 0.301 6.96 24 36.8 13.8
60 3 3 2 27.714 55.427 0.302 6.9 12 23.0 2.7
61 3 2 5 27.828 55.655 0.303 6.84 24 10.4 1.1
62 2 0 8 27.964 55.928 0.304 6.77 12 68.8 23.4
63 4 2 2 28.237 56.474 0.307 6.62 24 35.1 11.9
64 4 0 6 28.507 57.015 0.31 6.48 12 40.9 7.9
65 4 1 5 28.866 57.732 0.313 6.3 24 33.1 10.1
66 5 1 0 28.977 57.955 0.314 6.24 12 7.3 0.2
67 5 0 4 29.111 58.221 0.316 6.18 12 32.3 4.7
68 5 1 1 29.177 58.355 0.316 6.15 24 115.2 119.4
69 4 2 3 29.244 58.487 0.317 6.11 24 25.4 5.8
70 2 1 8 29.508 59.016 0.32 5.99 24 1.6 0.0
71 3 1 7 29.574 59.148 0.32 5.96 24 19.7 3.4
72 5 1 2 29.772 59.543 0.322 5.87 24 41.7 15.0
73 3 2 6 30.033 60.067 0.325 5.76 24 12.0 1.2
74 3 3 4 30.12 60.241 0.326 5.72 12 171.1 122.6
75 3 0 8 30.51 61.019 0.33 5.56 12 95.5 37.1
76 4 2 4 30.618 61.235 0.331 5.52 24 53.9 23.5
77 5 1 3 30.747 61.493 0.332 5.47 24 53.3 22.7
78 4 1 6 31.025 62.05 0.335 5.36 24 33.1 8.6
79 6 0 0 31.472 62.943 0.339 5.19 6 106.0 21.3
80 4 3 0 31.957 63.913 0.344 5.02 12 13.9 0.7
81 2 2 8 31.977 63.954 0.344 5.01 12 226.6 188.4
82 5 1 4 32.082 64.165 0.345 4.98 24 31.5 7.2
83 4 3 1 32.145 64.291 0.345 4.96 24 56.5 23.2
84 6 0 2 32.229 64.458 0.346 4.93 12 128.5 59.6
85 4 2 5 32.333 64.666 0.347 4.89 24 47.5 16.1
86 3 1 8 32.458 64.916 0.348 4.85 24 11.2 0.9
87 3 2 7 32.521 65.041 0.349 4.83 24 18.2 2.3
88 4 3 2 32.708 65.416 0.351 4.77 24 14.8 1.5
89 2 1 9 32.769 65.539 0.351 4.76 24 54.6 20.7
90 5 2 0 32.915 65.83 0.353 4.71 12 205.8 146.0
91 5 0 6 32.956 65.912 0.353 4.7 12 21.1 1.5
92 0 0 10 32.976 65.952 0.353 4.69 2 19.1 0.2
93 5 2 1 33.101 66.201 0.354 4.65 24 87.5 52.2
94 1 0 10 33.449 66.899 0.358 4.55 12 5.6 0.1
95 4 1 7 33.47 66.941 0.358 4.55 24 69.4 32.0
96 4 3 3 33.634 67.269 0.36 4.5 24 15.2 1.5
97 5 2 2 33.655 67.31 0.36 4.49 24 9.9 0.6
98 5 1 5 33.757 67.514 0.361 4.47 24 82.6 44.6
99 4 0 8 33.879 67.758 0.362 4.43 12 23.2 1.7
100 3 3 6 33.9 67.799 0.362 4.43 12 26.6 2.3
101 4 2 6 34.367 68.733 0.366 4.3 24 63.2 25.2
102 1 1 10 34.386 68.773 0.367 4.3 12 58.1 10.6
103 6 0 4 34.448 68.895 0.367 4.28 12 126.1 49.8
104 5 2 3 34.569 69.138 0.368 4.25 24 51.2 16.3
105 6 1 0 34.791 69.581 0.37 4.2 12 69.3 14.8
106 2 0 10 34.85 69.701 0.371 4.18 12 98.1 29.5
107 4 3 4 34.911 69.822 0.371 4.17 24 13.6 1.1
108 6 1 1 34.972 69.943 0.372 4.15 24 17.6 1.9
109 3 2 8 35.272 70.543 0.375 4.08 24 70.0 29.2
110 6 1 2 35.512 71.024 0.377 4.03 24 5.0 0.1
111 3 1 9 35.571 71.142 0.378 4.01 24 171.4 172.6
112 5 1 6 35.751 71.501 0.379 3.97 24 51.4 15.4
113 5 2 4 35.83 71.661 0.38 3.96 24 56.8 18.7
114 4 1 8 36.187 72.374 0.383 3.88 24 26.9 4.1
115 2 1 10 36.226 72.452 0.384 3.87 24 48.8 13.5
116 6 1 3 36.405 72.809 0.385 3.84 24 16.4 1.5
117 4 3 5 36.523 73.046 0.386 3.81 24 71.5 28.5
118 4 2 7 36.7 73.4 0.388 3.78 24 11.3 0.7
119 4 4 0 37.074 74.147 0.391 3.71 6 6.4 0.1
120 3 0 10 37.132 74.263 0.392 3.7 12 5.8 0.1
121 5 2 5 37.426 74.852 0.394 3.64 24 25.2 3.4
122 5 3 0 37.524 75.047 0.395 3.62 12 23.4 1.5
123 7 0 0 37.524 75.047 0.395 3.62 6 133.8 23.7
124 6 1 4 37.641 75.281 0.396 3.6 24 5.7 0.2
125 5 3 1 37.699 75.398 0.397 3.59 24 100.5 53.1
126 4 4 2 37.777 75.554 0.398 3.58 12 65.3 11.2
127 5 0 8 37.991 75.981 0.4 3.55 12 28.1 2.0
128 6 0 6 38.01 76.021 0.4 3.54 12 15.4 0.6
129 5 1 7 38.049 76.098 0.4 3.54 24 42.6 9.4
130 5 3 2 38.224 76.448 0.402 3.51 24 6.4 0.2
131 7 0 2 38.224 76.448 0.402 3.51 12 4.9 0.1
132 3 2 9 38.282 76.564 0.402 3.5 24 4.7 0.1
133 4 3 6 38.457 76.913 0.404 3.47 24 10.1 0.5
134 2 2 10 38.475 76.951 0.404 3.47 12 13.4 0.5
135 6 2 0 38.863 77.725 0.407 3.41 12 60.0 9.0
136 3 3 8 38.882 77.763 0.407 3.41 12 30.9 2.4
137 3 1 10 38.92 77.84 0.408 3.4 24 6.4 0.2
138 6 2 1 39.036 78.073 0.409 3.38 24 46.8 10.9
139 5 3 3 39.094 78.188 0.409 3.38 24 109.4 59.2
140 4 1 9 39.171 78.341 0.41 3.37 24 56.8 15.9
141 6 1 5 39.21 78.419 0.41 3.36 24 15.8 1.2
142 4 2 8 39.325 78.649 0.411 3.34 24 56.8 15.8
143 5 2 6 39.344 78.688 0.412 3.34 24 37.6 6.9
144 6 2 2 39.556 79.112 0.413 3.31 24 82.4 32.9
145 4 4 4 39.863 79.725 0.416 3.27 12 157.9 59.7
146 2 1 11 39.9 79.801 0.416 3.27 24 63.3 19.2
147 4 0 10 40.245 80.49 0.419 3.22 12 124.0 36.3
148 5 3 4 40.303 80.606 0.42 3.22 24 49.4 11.5
149 7 0 4 40.303 80.606 0.42 3.22 12 86.8 17.7
150 6 2 3 40.418 80.835 0.421 3.2 24 37.6 6.6
151 5 1 8 40.646 81.293 0.423 3.18 24 42.9 8.6
152 4 3 7 40.704 81.408 0.423 3.17 24 36.1 6.1
153 0 0 12 40.779 81.559 0.424 3.16 2 65.0 1.6
154 7 1 0 41.066 82.132 0.426 3.13 12 8.5 0.2
155 6 1 6 41.104 82.208 0.427 3.13 24 31.6 4.6
156 1 0 12 41.217 82.435 0.428 3.11 12 55.7 7.1
157 7 1 1 41.237 82.475 0.428 3.11 24 21.0 2.0
158 3 2 10 41.56 83.12 0.431 3.08 24 42.4 8.1
159 5 2 7 41.579 83.159 0.431 3.08 24 62.6 17.6
160 6 2 4 41.618 83.235 0.431 3.07 24 5.4 0.1
161 7 1 2 41.751 83.501 0.432 3.06 24 18.1 1.5
162 5 3 5 41.845 83.691 0.433 3.05 24 74.8 25.0
163 1 1 12 42.091 84.182 0.435 3.03 12 90.9 18.3
164 4 2 9 42.243 84.486 0.436 3.02 24 43.2 8.2
165 4 1 10 42.432 84.865 0.438 3.0 24 43.4 8.3
166 2 0 12 42.527 85.054 0.439 2.99 12 76.3 12.8
167 3 1 11 42.527 85.054 0.439 2.99 24 36.7 5.9
168 7 1 3 42.603 85.207 0.439 2.99 24 19.3 1.6
169 5 4 0 42.812 85.623 0.441 2.97 12 40.0 3.5
170 6 0 8 42.83 85.66 0.441 2.97 12 5.7 0.1
171 5 4 1 42.982 85.964 0.443 2.96 24 55.4 13.3
172 6 2 5 43.152 86.304 0.444 2.94 24 48.6 10.2
173 4 3 8 43.265 86.53 0.445 2.93 24 35.0 5.3
174 4 4 6 43.284 86.568 0.445 2.93 12 76.1 12.4
175 6 1 7 43.322 86.643 0.445 2.93 24 2.3 0.0
176 5 4 2 43.492 86.984 0.447 2.92 24 8.9 0.3
177 5 1 9 43.548 87.096 0.447 2.91 24 106.7 48.5
178 6 3 0 43.681 87.362 0.448 2.91 12 58.0 7.2
179 5 3 6 43.718 87.437 0.449 2.9 24 3.2 0.0
180 7 0 6 43.718 87.437 0.449 2.9 12 3.1 0.0
181 7 1 4 43.794 87.588 0.449 2.9 24 84.9 30.6
182 2 1 12 43.831 87.662 0.45 2.9 24 6.0 0.2
183 6 3 1 43.851 87.702 0.45 2.89 24 55.1 12.9
184 8 0 0 44.115 88.23 0.452 2.88 6 167.7 29.6
185 5 2 8 44.133 88.267 0.452 2.88 24 141.5 84.2
186 5 0 10 44.171 88.342 0.452 2.87 12 17.4 0.6
187 5 4 3 44.341 88.683 0.454 2.86 24 18.5 1.4
188 6 3 2 44.36 88.72 0.454 2.86 24 7.9 0.3
189 3 0 12 44.699 89.398 0.457 2.84 12 18.1 0.7
190 8 0 2 44.794 89.588 0.457 2.84 12 10.1 0.2
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 0 0 2 6.249 12.499 7.076 221.2 24.3 24.5 5.6
2 1 0 2 8.011 16.022 5.52726 17.7 1.9 2.0 5.6
3 1 1 0 8.668 17.336 5.111 237.0 26.0 26.2 5.6
4 2 0 0 10.022 20.044 4.42626 394.7 43.3 43.5 5.6
5 1 1 2 10.714 21.429 4.14323 170.3 18.7 18.8 5.6
6 2 0 2 11.845 23.69 3.75256 517.8 56.8 56.9 5.6
7 0 0 4 12.575 25.15 3.538 252.0 27.6 27.7 5.6
8 2 1 0 13.31 26.619 3.34593 34.4 3.8 3.8 5.6
9 1 0 4 13.56 27.12 3.28534 129.3 14.2 14.2 5.6
10 2 1 1 13.684 27.367 3.25617 912.0 100.0 100.0 5.6
11 2 1 2 14.753 29.506 3.02482 18.2 2.0 2.0 5.6
12 3 0 0 15.132 30.263 2.95084 40.2 4.4 4.4 5.6
13 1 1 4 15.354 30.709 2.90902 619.4 67.9 67.7 5.6
14 2 0 4 16.184 32.368 2.76363 460.3 50.5 50.3 5.6
15 2 1 3 16.394 32.788 2.72914 144.5 15.8 15.8 5.6
16 2 2 0 17.543 35.086 2.5555 320.3 35.1 34.9 5.7
17 3 1 0 18.284 36.568 2.45525 84.5 9.3 9.2 5.7
18 3 1 1 18.567 37.134 2.41911 87.7 9.6 9.5 5.7
19 0 0 6 19.061 38.122 2.35867 9.6 1.0 1.0 5.7
20 3 1 2 19.395 38.79 2.31958 13.1 1.4 1.4 5.7
21 1 0 6 19.753 39.506 2.27915 14.3 1.6 1.6 5.7
22 3 0 4 19.872 39.743 2.26611 41.6 4.6 4.5 5.7
23 3 1 3 20.712 41.425 2.17791 126.3 13.8 13.7 5.7
24 4 0 2 21.388 42.775 2.11223 101.4 11.1 11.0 5.7
25 2 0 6 21.719 43.437 2.08157 39.0 4.3 4.2 5.7
26 2 2 4 21.828 43.657 2.07161 48.3 5.3 5.2 5.7
27 3 2 0 22.289 44.578 2.03091 45.6 5.0 4.9 5.7
28 3 1 4 22.45 44.899 2.01712 147.6 16.2 15.9 5.7
29 3 2 2 23.241 46.481 1.95209 23.0 2.5 2.5 5.7
30 4 1 0 23.5 46.999 1.93178 53.0 5.8 5.7 5.7
31 4 1 1 23.731 47.462 1.91403 120.9 13.3 13.0 5.7
32 4 1 2 24.414 48.829 1.86358 24.8 2.7 2.7 5.7
33 3 1 5 24.539 49.079 1.85468 161.7 17.7 17.4 5.7
34 3 0 6 24.713 49.427 1.84242 15.7 1.7 1.7 5.7
35 4 1 3 25.523 51.047 1.78769 12.6 1.4 1.3 5.8
36 0 0 8 25.813 51.626 1.769 155.5 17.1 16.6 5.8
37 2 2 6 26.386 52.772 1.73324 148.2 16.3 15.8 5.8
38 2 1 7 26.433 52.866 1.73037 20.3 2.2 2.2 5.8
39 3 3 0 26.88 53.761 1.70367 37.2 4.1 4.0 5.8
40 4 1 4 27.02 54.041 1.6955 47.0 5.2 5.0 5.8
41 4 2 0 27.415 54.829 1.67297 31.2 3.4 3.3 5.8
42 4 2 1 27.622 55.244 1.6614 13.8 1.5 1.5 5.8
43 2 0 8 27.964 55.928 1.64267 23.4 2.6 2.5 5.8
44 4 2 2 28.237 56.474 1.62808 11.9 1.3 1.3 5.8
45 4 1 5 28.866 57.732 1.59557 10.1 1.1 1.1 5.8
46 5 1 1 29.177 58.355 1.58002 119.4 13.1 12.7 5.8
47 5 1 2 29.772 59.543 1.55128 15.0 1.6 1.6 5.8
48 3 3 4 30.12 60.241 1.53498 122.6 13.4 13.0 5.8
49 3 0 8 30.51 61.019 1.51725 37.1 4.1 3.9 5.8
50 4 2 4 30.618 61.235 1.51241 23.5 2.6 2.5 5.8
51 5 1 3 30.747 61.493 1.50668 22.7 2.5 2.4 5.8
52 6 0 0 31.472 62.943 1.47542 21.3 2.3 2.2 5.9
53 2 2 8 31.977 63.954 1.45451 188.4 20.7 19.8 5.9
54 4 3 1 32.145 64.291 1.44771 23.2 2.5 2.4 5.9
55 6 0 2 32.229 64.458 1.44436 59.6 6.5 6.3 5.9
56 4 2 5 32.333 64.666 1.4402 16.1 1.8 1.7 5.9
57 2 1 9 32.769 65.539 1.42312 20.7 2.3 2.2 5.9
58 5 2 0 32.915 65.83 1.41754 146.0 16.0 15.3 5.9
59 5 2 1 33.101 66.201 1.41048 52.2 5.7 5.5 5.9
60 4 1 7 33.47 66.941 1.39669 32.0 3.5 3.3 5.9
61 5 1 5 33.757 67.514 1.38622 44.6 4.9 4.7 5.9
62 4 2 6 34.367 68.733 1.36457 35.8 3.9 3.7 5.9
63 6 0 4 34.448 68.895 1.36175 49.8 5.5 5.2 5.9
64 5 2 3 34.569 69.138 1.35757 16.3 1.8 1.7 5.9
65 6 1 0 34.791 69.581 1.35 14.8 1.6 1.5 5.9
66 2 0 10 34.85 69.701 1.34798 29.5 3.2 3.1 5.9
67 3 2 8 35.272 70.543 1.33392 29.2 3.2 3.0 5.9
68 3 1 9 35.571 71.142 1.32416 172.6 18.9 17.9 5.9
69 5 1 6 35.751 71.501 1.31839 15.4 1.7 1.6 5.9
70 5 2 4 35.83 71.661 1.31585 18.7 2.1 1.9 5.9
71 2 1 10 36.226 72.452 1.30341 13.5 1.5 1.4 5.9
72 4 3 5 36.523 73.046 1.29427 28.5 3.1 3.0 6.0
73 7 0 0 37.524 75.047 1.26464 25.2 2.8 2.6 6.0
74 5 3 1 37.699 75.398 1.25963 53.1 5.8 5.5 6.0
75 4 4 2 37.777 75.554 1.25741 11.2 1.2 1.2 6.0
76 5 1 7 38.049 76.098 1.24977 9.4 1.0 1.0 6.0
77 6 2 0 38.863 77.725 1.22762 11.4 1.2 1.2 6.0
78 6 2 1 39.036 78.073 1.22303 10.9 1.2 1.1 6.0
79 5 3 3 39.094 78.188 1.22151 59.2 6.5 6.1 6.0
80 4 1 9 39.171 78.341 1.21951 15.9 1.7 1.6 6.0
81 4 2 8 39.325 78.649 1.2155 22.7 2.5 2.3 6.0
82 6 2 2 39.556 79.112 1.20955 32.9 3.6 3.4 6.0
83 4 4 4 39.863 79.725 1.20178 59.7 6.5 6.1 6.0
84 2 1 11 39.9 79.801 1.20083 19.2 2.1 2.0 6.0
85 4 0 10 40.245 80.49 1.19228 36.3 4.0 3.7 6.0
86 7 0 4 40.303 80.606 1.19085 29.2 3.2 3.0 6.1
87 5 2 7 41.579 83.159 1.16066 25.8 2.8 2.6 6.1
88 5 3 5 41.845 83.691 1.15463 25.0 2.7 2.5 6.1
89 1 1 12 42.091 84.182 1.14914 18.3 2.0 1.9 6.1
90 2 0 12 42.527 85.054 1.13958 18.6 2.0 1.9 6.1
91 5 4 1 42.982 85.964 1.12983 13.3 1.5 1.3 6.1
92 6 2 5 43.152 86.304 1.12625 10.2 1.1 1.0 6.1
93 4 4 6 43.284 86.568 1.12349 17.7 1.9 1.8 6.1
94 5 1 9 43.548 87.096 1.11803 48.5 5.3 4.9 6.1
95 7 1 4 43.794 87.588 1.11301 30.6 3.4 3.1 6.2
96 6 3 1 43.851 87.702 1.11186 12.9 1.4 1.3 6.2
97 5 2 8 44.133 88.267 1.1062 113.9 12.5 11.4 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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