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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ZWIESELITE
1, g-triplite
Fe(2)[PO(4)]F
Monoclinic * *I2/a Z = 8
R =0.053 NR =1795
8 .6 .1994
Ref.Str.:
Iakubovich O.V., Simonov M.A., Matvienko E.N., Belov N.V. (1978)
* Dokl. Akad. Nauk SSSR, 238, 3, 577-579
Reserv:
T.V.Ush.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.999 alpha = 90.0
b = 9.89 beta = 90.0
c = 6.489 gamma = 107.72
Unit cell volume (cub. angs.) = 733.52
Molar volume ( cub.cm/mol.) = 55.23
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1909 0.1942 0.9769 0.68 Fe = 1.00
2 0.0927 0.4491 0.1474 0.56 Fe = 1.00
3 0.0766 0.3828 0.6584 0.39 P = 1.00
4 0.0563 0.4763 0.8347 0.77 O = 1.00
5 0.9614 0.2669 0.6079 0.74 O = 1.00
6 0.1709 0.3137 0.7161 0.71 O = 1.00
7 0.119 0.4808 0.4688 0.68 O = 1.00
8 0.2664 0.3727 0.1444 1.93 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1909 0.1942 0.9769
2 2 0.0927 0.4491 0.1474
3 3 0.0766 0.3828 0.6584
4 4 0.0563 0.4763 0.8347
5 5 0.9614 0.2669 0.6079
6 6 0.1709 0.3137 0.7161
7 7 0.119 0.4808 0.4688
8 8 0.2664 0.3727 0.1444
9 1 0.8091 0.8059 0.0231
10 2 0.9073 0.5509 0.8526
11 3 0.9234 0.6172 0.3416
12 4 0.9437 0.5237 0.1653
13 5 0.0386 0.7331 0.3921
14 6 0.8291 0.6863 0.2839
15 7 0.881 0.5192 0.5312
16 8 0.7336 0.6273 0.8556
17 1 0.3091 0.3058 0.5231
18 2 0.4073 0.0509 0.3526
19 3 0.4234 0.1172 0.8416
20 4 0.4437 0.0237 0.6653
21 5 0.5386 0.2331 0.8921
22 6 0.3291 0.1863 0.7839
23 7 0.381 0.0192 0.0312
24 8 0.2336 0.1273 0.3556
25 1 0.6909 0.6941 0.4769
26 2 0.5927 0.9491 0.6474
27 3 0.5766 0.8828 0.1584
28 4 0.5563 0.9763 0.3347
29 5 0.4614 0.7669 0.1079
30 6 0.6709 0.8137 0.2161
31 7 0.619 0.9808 0.9688
32 8 0.7664 0.8727 0.6444
33 1 0.3091 0.8059 0.9769
34 2 0.4073 0.5509 0.1474
35 3 0.4234 0.6172 0.6584
36 4 0.4437 0.5237 0.8347
37 5 0.5386 0.7331 0.6079
38 6 0.3291 0.6863 0.7161
39 7 0.381 0.5192 0.4688
40 8 0.2336 0.6273 0.1444
41 1 0.6909 0.1941 0.0231
42 2 0.5927 0.4491 0.8526
43 3 0.5766 0.3828 0.3416
44 4 0.5563 0.4763 0.1653
45 5 0.4614 0.2669 0.3921
46 6 0.6709 0.3137 0.2839
47 7 0.619 0.4808 0.5312
48 8 0.7664 0.3727 0.8556
49 1 0.1909 0.6941 0.5231
50 2 0.0927 0.9491 0.3526
51 3 0.0766 0.8828 0.8416
52 4 0.0563 0.9763 0.6653
53 5 0.9614 0.7669 0.8921
54 6 0.1709 0.8137 0.7839
55 7 0.119 0.9808 0.0312
56 8 0.2664 0.8727 0.3556
57 1 0.8091 0.3059 0.4769
58 2 0.9073 0.0509 0.6474
59 3 0.9234 0.1172 0.1584
60 4 0.9437 0.0237 0.3347
61 5 0.0386 0.2331 0.1079
62 6 0.8291 0.1863 0.2161
63 7 0.881 0.0192 0.9688
64 8 0.7336 0.1273 0.6444
X-ray density (g/cm cub.) = 4.09
MU (1/cm) = 200.059 Mass attenuation coefficient (cm**2/g) = 48.968
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 5
2.1196 6
2.0362 8
2.0981 6
2.0525 7
2.154 5
2 Fe 2.592 6
2.1098 4
2.1185 7
2.4237 8
2.1347 4
2.0379 8
2.0505 5
3 P 2.232 4
1.5367 4
1.5388 5
1.5353 6
1.5528 7
4 O 3.264 8
2.5132 5
2.5328 6
2.487 7
2.652 4
3.0044 7
2.9767 8
3.2158 6
2.9432 5
5 O 3.264 8
2.5132 4
2.5136 6
2.5359 7
2.9783 7
3.2624 8
2.9432 4
2.9747 6
2.6714 8
6 O 3.264 9
2.5328 4
2.5136 5
2.5141 7
2.9951 8
2.6154 6
3.2064 8
3.1531 7
3.2158 4
2.9747 5
7 O 3.264 10
2.487 4
2.5359 5
2.5141 6
3.139 8
3.0044 4
2.9783 5
3.0206 7
3.1531 6
3.0497 7
2.6849 8
8 F 3.228 8
2.9951 6
3.139 7
3.2064 6
2.7096 8
2.9767 4
2.6849 7
2.6643 8
2.6714 5
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 9.005 18.009 0.087 78.71 2 0.1 0.0
2 1 0 1 9.12 18.241 0.089 76.67 4 17.5 17.4
3 0 1 1 9.635 19.271 0.094 68.47 4 7.8 3.1
4 0 2 0 10.946 21.893 0.106 52.57 2 29.9 17.5
5 -2 2 0 11.892 23.784 0.115 44.22 2 44.1 31.9
6 -2 1 1 12.034 24.067 0.117 43.13 4 64.9 135.2
7 -1 2 1 13.199 26.398 0.128 35.51 4 57.0 85.7
8 2 1 1 14.366 28.731 0.139 29.66 4 165.2 601.6
9 1 2 1 15.367 30.735 0.148 25.68 4 121.5 281.9
10 3 0 1 15.798 31.596 0.152 24.19 4 21.3 8.1
11 0 0 2 16.003 32.006 0.154 23.53 2 52.1 23.7
12 2 2 0 16.287 32.573 0.157 22.65 2 300.2 758.6
13 -3 2 1 16.748 33.496 0.161 21.32 4 39.3 24.5
14 -1 1 2 17.116 34.232 0.165 20.34 4 260.9 1028.8
15 1 1 2 18.017 36.034 0.173 18.18 4 25.4 8.7
16 -2 3 1 18.194 36.388 0.175 17.79 4 15.3 3.1
17 -4 2 0 18.23 36.46 0.175 17.72 2 412.3 1119.8
18 4 0 0 18.242 36.484 0.175 17.69 2 111.7 82.1
19 0 3 1 18.448 36.895 0.177 17.26 4 199.5 510.8
20 2 0 2 18.483 36.965 0.177 17.19 4 122.4 191.3
21 -4 1 1 19.178 38.355 0.184 15.84 4 118.2 164.5
22 0 2 2 19.558 39.115 0.187 15.17 4 116.6 153.4
23 -2 2 2 20.132 40.265 0.192 14.23 4 168.0 298.4
24 -3 1 2 20.84 41.68 0.199 13.17 4 167.2 273.6
25 -2 4 0 21.35 42.701 0.204 12.48 2 194.8 175.9
26 3 2 1 21.75 43.5 0.207 11.97 4 44.1 17.3
27 -4 3 1 22.288 44.577 0.212 11.33 4 93.3 73.2
28 4 1 1 22.309 44.618 0.212 11.3 4 93.5 73.5
29 0 4 0 22.32 44.64 0.212 11.29 2 52.8 11.7
30 -1 3 2 22.762 45.523 0.216 10.8 4 22.0 3.9
31 -1 4 1 22.888 45.776 0.217 10.67 4 101.9 82.4
32 2 3 1 22.928 45.856 0.218 10.62 4 57.0 25.7
33 3 1 2 23.082 46.164 0.219 10.46 4 48.2 18.1
34 2 2 2 23.157 46.314 0.22 10.39 4 95.0 69.7
35 -5 2 1 23.807 47.613 0.226 9.76 4 113.7 93.8
36 -3 4 1 23.895 47.79 0.226 9.67 4 81.1 47.3
37 -4 4 0 24.339 48.678 0.23 9.28 2 96.0 31.8
38 4 2 0 24.368 48.735 0.231 9.25 2 89.7 27.7
39 -3 3 2 24.468 48.935 0.232 9.17 4 8.3 0.5
40 5 0 1 24.51 49.021 0.232 9.13 4 36.7 9.2
41 -4 2 2 24.643 49.287 0.233 9.02 4 94.5 59.9
42 4 0 2 24.653 49.306 0.233 9.01 4 21.4 3.1
43 1 3 2 24.867 49.733 0.235 8.84 4 164.2 177.1
44 1 0 3 24.889 49.779 0.235 8.82 4 33.8 7.5
45 0 1 3 25.106 50.211 0.237 8.65 4 206.3 273.5
46 1 4 1 25.655 51.311 0.242 8.23 4 75.8 35.2
47 -2 1 3 26.239 52.479 0.247 7.82 4 84.7 41.7
48 -6 2 0 26.726 53.452 0.251 7.5 2 123.7 42.7
49 -1 2 3 26.861 53.721 0.253 7.41 4 84.5 39.3
50 2 4 0 26.915 53.831 0.253 7.38 2 289.4 229.6
51 -2 4 2 27.173 54.345 0.255 7.22 4 105.0 59.1
52 2 1 3 27.525 55.049 0.258 7.01 4 94.3 46.4
53 -5 1 2 27.66 55.321 0.26 6.94 4 49.5 12.6
54 0 4 2 27.988 55.977 0.262 6.75 4 71.4 25.6
55 6 0 0 28.005 56.009 0.262 6.74 2 134.6 45.4
56 -6 1 1 28.065 56.131 0.263 6.71 4 200.4 200.4
57 1 2 3 28.126 56.253 0.264 6.68 4 16.7 1.4
58 -2 5 1 28.223 56.445 0.264 6.63 4 49.3 12.0
59 -5 4 1 28.377 56.754 0.266 6.54 4 76.5 28.4
60 3 0 3 28.393 56.787 0.266 6.54 4 80.0 31.1
61 -3 2 3 29.0 58.0 0.271 6.23 4 48.1 10.7
62 -6 3 1 29.28 58.559 0.273 6.1 4 123.3 68.9
63 -5 3 2 29.494 58.988 0.275 6.0 4 164.3 120.4
64 0 5 1 29.626 59.252 0.276 5.94 4 148.7 97.6
65 -4 4 2 29.725 59.45 0.277 5.89 4 169.7 126.2
66 4 2 2 29.75 59.5 0.277 5.88 4 19.7 1.7
67 -2 3 3 29.967 59.933 0.279 5.79 4 68.2 20.0
68 -4 5 1 30.125 60.25 0.281 5.72 4 127.4 69.1
69 0 3 3 30.141 60.282 0.281 5.71 4 61.3 16.0
70 4 3 1 30.158 60.317 0.281 5.71 4 62.1 16.4
71 3 3 2 30.195 60.391 0.281 5.69 4 92.7 36.4
72 5 2 1 30.224 60.448 0.281 5.68 4 18.8 1.5
73 -6 4 0 30.406 60.811 0.283 5.6 2 17.8 0.7
74 -4 1 3 30.652 61.304 0.285 5.5 4 197.0 158.7
75 5 1 2 30.705 61.411 0.285 5.48 4 143.4 83.8
76 3 4 1 31.476 62.952 0.292 5.19 4 145.2 81.4
77 6 1 1 31.668 63.337 0.293 5.12 4 13.5 0.7
78 -6 2 2 31.837 63.674 0.295 5.06 4 64.6 15.7
79 2 4 2 32.007 64.013 0.296 5.0 4 63.7 15.1
80 -1 5 2 32.258 64.517 0.298 4.92 4 58.9 12.7
81 -3 5 2 32.497 64.994 0.3 4.84 4 104.9 39.6
82 3 2 3 32.54 65.079 0.301 4.83 4 70.2 17.7
83 -7 2 1 32.698 65.396 0.302 4.78 4 41.6 6.1
84 -2 6 0 32.882 65.764 0.303 4.72 2 130.8 30.0
85 -4 3 3 32.951 65.902 0.304 4.7 4 83.8 24.6
86 4 1 3 32.967 65.933 0.304 4.69 4 76.2 20.3
87 6 0 2 32.99 65.98 0.304 4.69 4 113.3 44.8
88 -1 4 3 33.415 66.83 0.308 4.56 4 25.0 2.1
89 2 3 3 33.446 66.893 0.308 4.55 4 254.1 218.5
90 0 0 4 33.461 66.922 0.308 4.55 2 77.1 10.1
91 6 2 0 33.883 67.766 0.312 4.43 2 293.9 142.2
92 -4 6 0 34.078 68.156 0.313 4.38 2 108.3 19.1
93 2 5 1 34.086 68.173 0.313 4.38 4 188.9 116.1
94 4 4 0 34.117 68.234 0.314 4.37 2 4.6 0.0
95 -1 1 4 34.119 68.238 0.314 4.37 4 117.4 44.8
96 -5 2 3 34.138 68.277 0.314 4.36 4 11.9 0.5
97 -3 4 3 34.209 68.418 0.314 4.34 4 128.9 53.7
98 -3 6 1 34.28 68.559 0.315 4.32 4 65.8 13.9
99 7 0 1 34.394 68.788 0.316 4.3 4 129.6 53.6
100 -1 6 1 34.604 69.208 0.317 4.24 4 54.4 9.3
101 1 1 4 34.675 69.35 0.318 4.22 4 10.9 0.4
102 5 0 3 34.702 69.404 0.318 4.22 4 24.7 1.9
103 0 6 0 34.727 69.455 0.318 4.21 2 41.3 2.7
104 2 0 4 34.97 69.941 0.32 4.15 4 155.2 74.4
105 -6 5 1 35.01 70.019 0.321 4.14 4 108.7 36.4
106 1 5 2 35.068 70.136 0.321 4.13 4 95.7 28.1
107 -6 4 2 35.193 70.386 0.322 4.1 4 95.4 27.7
108 -7 4 1 35.467 70.935 0.324 4.04 4 35.1 3.7
109 1 4 3 35.636 71.271 0.326 4.0 4 13.7 0.6
110 0 2 4 35.673 71.345 0.326 3.99 4 143.6 61.1
111 -5 5 2 35.753 71.506 0.327 3.97 4 153.5 69.6
112 -2 2 4 36.059 72.118 0.329 3.91 4 152.0 67.1
113 -7 1 2 36.478 72.956 0.332 3.82 4 132.7 50.0
114 -3 1 4 36.545 73.091 0.333 3.81 4 8.4 0.2
115 -8 2 0 36.609 73.219 0.333 3.79 2 167.5 39.6
116 -5 6 1 36.926 73.852 0.336 3.73 4 118.5 38.9
117 -7 3 2 37.003 74.007 0.336 3.72 4 147.0 59.8
118 -2 6 2 37.509 75.019 0.34 3.63 4 47.6 6.1
119 -6 1 3 37.664 75.328 0.342 3.6 4 29.7 2.4
120 -2 5 3 37.799 75.598 0.343 3.58 4 187.2 93.2
121 1 6 1 37.867 75.734 0.343 3.57 4 130.7 45.3
122 -1 3 4 37.921 75.841 0.344 3.56 4 100.7 26.8
123 -5 4 3 37.932 75.864 0.344 3.56 4 83.1 18.2
124 5 3 2 37.944 75.887 0.344 3.55 4 104.7 29.0
125 3 1 4 38.158 76.315 0.345 3.52 4 165.2 71.4
126 -6 6 0 38.185 76.37 0.346 3.51 2 216.4 61.2
127 2 2 4 38.213 76.427 0.346 3.51 4 71.1 13.2
128 -8 3 1 38.265 76.53 0.346 3.5 4 128.7 43.1
129 -8 1 1 38.28 76.559 0.346 3.5 4 26.5 1.8
130 6 2 2 38.458 76.916 0.348 3.47 4 71.2 13.1
131 -4 6 2 38.643 77.287 0.349 3.44 4 120.5 37.1
132 4 4 2 38.68 77.361 0.349 3.44 4 171.3 75.0
133 -6 3 3 38.716 77.431 0.35 3.43 4 113.0 32.6
134 -8 4 0 38.731 77.461 0.35 3.43 2 145.7 27.0
135 8 0 0 38.76 77.52 0.35 3.42 2 170.4 37.0
136 0 5 3 39.019 78.038 0.352 3.39 4 148.2 55.3
137 -3 3 4 39.205 78.411 0.353 3.36 4 19.8 1.0
138 0 6 2 39.262 78.525 0.354 3.35 4 60.2 9.0
139 -4 2 4 39.341 78.682 0.354 3.34 4 85.8 18.3
140 4 0 4 39.348 78.696 0.354 3.34 4 26.4 1.7
141 6 3 1 39.35 78.699 0.354 3.34 4 62.8 9.8
142 2 6 0 39.424 78.849 0.355 3.33 2 56.9 4.0
143 -4 5 3 39.459 78.919 0.355 3.33 4 134.0 44.4
144 4 3 3 39.489 78.977 0.355 3.32 4 124.9 38.5
145 1 3 4 39.514 79.028 0.356 3.32 4 29.0 2.1
146 5 2 3 39.547 79.094 0.356 3.31 4 32.9 2.7
147 5 4 1 39.629 79.257 0.357 3.3 4 87.7 18.9
148 7 1 2 40.209 80.417 0.361 3.23 4 71.7 12.3
149 7 2 1 40.308 80.615 0.362 3.22 4 86.7 18.0
150 -2 7 1 40.506 81.013 0.363 3.19 4 181.3 78.1
151 3 5 2 40.648 81.296 0.364 3.18 4 58.6 8.1
152 3 4 3 40.665 81.331 0.364 3.18 4 0.1 0.0
153 6 1 3 40.839 81.678 0.366 3.16 4 158.9 59.2
154 -8 2 2 41.071 82.142 0.367 3.13 4 78.1 14.2
155 -4 7 1 41.095 82.191 0.367 3.13 4 93.2 20.2
156 4 5 1 41.139 82.278 0.368 3.12 4 85.7 17.1
157 -2 4 4 41.355 82.71 0.369 3.1 4 2.9 0.0
158 -7 5 2 41.736 83.471 0.372 3.06 4 0.6 0.0
159 -5 1 4 41.757 83.513 0.372 3.06 4 28.2 1.8
160 -7 2 3 41.775 83.55 0.372 3.06 4 45.5 4.7
161 0 4 4 42.029 84.058 0.374 3.04 4 33.9 2.6
162 -7 6 1 42.34 84.681 0.377 3.01 4 129.1 37.3
163 -8 5 1 42.441 84.882 0.377 3.0 4 111.0 27.4
164 8 1 1 42.484 84.969 0.378 3.0 4 26.0 1.5
165 -6 6 2 42.601 85.201 0.378 2.99 4 82.5 15.1
166 0 7 1 42.747 85.494 0.379 2.97 4 28.1 1.7
167 2 5 3 43.056 86.112 0.382 2.95 4 148.6 48.4
168 -8 4 2 43.134 86.268 0.382 2.94 4 32.0 2.2
169 8 0 2 43.163 86.325 0.382 2.94 4 39.3 3.4
170 -3 6 3 43.236 86.473 0.383 2.94 4 74.3 12.0
171 -9 2 1 43.263 86.527 0.383 2.93 4 27.5 1.6
172 -5 3 4 43.303 86.606 0.383 2.93 4 151.4 49.9
173 7 0 3 43.343 86.686 0.384 2.93 4 46.6 4.7
174 6 4 0 43.467 86.934 0.385 2.92 2 99.7 10.8
175 -4 4 4 43.502 87.004 0.385 2.92 4 150.4 49.0
176 4 2 4 43.523 87.047 0.385 2.92 4 6.8 0.1
177 -1 6 3 43.539 87.079 0.385 2.91 4 39.9 3.5
178 -3 7 2 43.731 87.462 0.386 2.9 4 79.2 13.5
179 2 6 2 43.814 87.628 0.387 2.9 4 97.0 20.3
180 3 6 1 43.857 87.714 0.387 2.89 4 1.1 0.0
181 3 3 4 43.909 87.818 0.388 2.89 4 40.5 3.5
182 1 0 5 43.919 87.838 0.388 2.89 4 108.7 25.4
183 -6 5 3 43.92 87.84 0.388 2.89 4 10.6 0.2
184 0 1 5 44.085 88.17 0.389 2.88 4 55.9 6.7
185 -7 4 3 44.352 88.703 0.391 2.86 4 3.6 0.0
186 5 1 4 44.355 88.71 0.391 2.86 4 0.8 0.0
187 -6 7 1 44.497 88.994 0.392 2.85 4 14.4 0.4
188 -1 7 2 44.552 89.104 0.392 2.85 4 44.9 4.3
189 -9 4 1 44.798 89.595 0.394 2.84 4 25.1 1.3
190 -8 6 0 44.964 89.928 0.395 2.83 2 26.0 0.7
191 -2 1 5 44.97 89.94 0.395 2.83 4 12.3 0.3
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 1 0 1 9.12 18.241 5.643 17.4 1.4 1.5 5.6
2 0 2 0 10.946 21.893 4.71039 17.5 1.5 1.5 5.6
3 -2 2 0 11.892 23.784 4.34063 31.9 2.7 2.7 5.6
4 -2 1 1 12.034 24.067 4.29028 135.2 11.2 11.4 5.6
5 -1 2 1 13.199 26.398 3.91729 85.7 7.1 7.2 5.6
6 2 1 1 14.366 28.731 3.60511 601.6 50.1 50.4 5.6
7 1 2 1 15.367 30.735 3.37522 281.9 23.5 23.6 5.6
8 0 0 2 16.003 32.006 3.2445 23.7 2.0 2.0 5.6
9 2 2 0 16.287 32.573 3.18947 758.6 63.1 63.3 5.6
10 -3 2 1 16.748 33.496 3.10398 24.5 2.0 2.0 5.7
11 -1 1 2 17.116 34.232 3.03918 1028.8 85.6 85.8 5.7
12 -4 2 0 18.23 36.46 2.85926 1201.9 100.0 100.0 5.7
13 0 3 1 18.448 36.895 2.82666 510.8 42.5 42.5 5.7
14 2 0 2 18.483 36.965 2.8215 191.3 15.9 15.9 5.7
15 -4 1 1 19.178 38.355 2.72288 164.5 13.7 13.7 5.7
16 0 2 2 19.558 39.115 2.67199 153.4 12.8 12.7 5.7
17 -2 2 2 20.132 40.265 2.59875 298.4 24.8 24.7 5.7
18 -3 1 2 20.84 41.68 2.51422 273.6 22.8 22.6 5.7
19 -2 4 0 21.35 42.701 2.45683 175.9 14.6 14.5 5.7
20 3 2 1 21.75 43.5 2.4138 17.3 1.4 1.4 5.7
21 4 1 1 22.309 44.618 2.35633 158.5 13.2 13.1 5.7
22 -1 4 1 22.888 45.776 2.29979 82.4 6.9 6.8 5.7
23 2 3 1 22.928 45.856 2.296 25.7 2.1 2.1 5.7
24 3 1 2 23.082 46.164 2.28149 18.1 1.5 1.5 5.7
25 2 2 2 23.157 46.314 2.2745 69.7 5.8 5.7 5.7
26 -5 2 1 23.807 47.613 2.21592 93.8 7.8 7.7 5.7
27 -3 4 1 23.895 47.79 2.20819 47.3 3.9 3.9 5.7
28 -4 4 0 24.339 48.678 2.17032 59.5 4.9 4.9 5.7
29 -4 2 2 24.643 49.287 2.14514 63.0 5.2 5.2 5.7
30 1 3 2 24.867 49.733 2.12709 184.6 15.4 15.1 5.7
31 0 1 3 25.106 50.211 2.10815 273.5 22.8 22.4 5.8
32 1 4 1 25.655 51.311 2.06594 35.2 2.9 2.9 5.8
33 -2 1 3 26.239 52.479 2.02311 41.7 3.5 3.4 5.8
34 -6 2 0 26.726 53.452 1.98889 42.7 3.5 3.5 5.8
35 -1 2 3 26.861 53.721 1.97968 39.3 3.3 3.2 5.8
36 2 4 0 26.915 53.831 1.97594 229.6 19.1 18.7 5.8
37 -2 4 2 27.173 54.345 1.95865 59.1 4.9 4.8 5.8
38 2 1 3 27.525 55.049 1.93552 46.4 3.9 3.8 5.8
39 -5 1 2 27.66 55.321 1.92677 12.6 1.1 1.0 5.8
40 6 0 0 28.005 56.009 1.90495 71.0 5.9 5.8 5.8
41 -6 1 1 28.065 56.131 1.90117 200.4 16.7 16.3 5.8
42 3 0 3 28.393 56.787 1.881 59.6 5.0 4.8 5.8
43 -6 3 1 29.28 58.559 1.82889 68.9 5.7 5.6 5.8
44 -5 3 2 29.494 58.988 1.81677 120.4 10.0 9.8 5.8
45 0 5 1 29.626 59.252 1.80942 97.6 8.1 7.9 5.8
46 -4 4 2 29.725 59.45 1.80393 127.9 10.6 10.4 5.8
47 -2 3 3 29.967 59.933 1.79073 20.0 1.7 1.6 5.8
48 -4 5 1 30.125 60.25 1.78218 85.0 7.1 6.9 5.8
49 4 3 1 30.158 60.317 1.78041 16.4 1.4 1.3 5.8
50 3 3 2 30.195 60.391 1.77843 37.9 3.1 3.1 5.8
51 -4 1 3 30.652 61.304 1.75447 158.7 13.2 12.8 5.8
52 5 1 2 30.705 61.411 1.7517 83.8 7.0 6.8 5.8
53 3 4 1 31.476 62.952 1.71307 81.4 6.8 6.6 5.9
54 -6 2 2 31.837 63.674 1.69566 15.7 1.3 1.3 5.9
55 2 4 2 32.007 64.013 1.68761 15.1 1.3 1.2 5.9
56 -1 5 2 32.258 64.517 1.67584 12.7 1.1 1.0 5.9
57 -3 5 2 32.497 64.994 1.66487 39.6 3.3 3.2 5.9
58 3 2 3 32.54 65.079 1.66292 17.7 1.5 1.4 5.9
59 -2 6 0 32.882 65.764 1.64754 30.0 2.5 2.4 5.9
60 -4 3 3 32.951 65.902 1.64447 44.8 3.7 3.6 5.9
61 6 0 2 32.99 65.98 1.64273 44.8 3.7 3.6 5.9
62 2 3 3 33.446 66.893 1.62288 228.5 19.0 18.3 5.9
63 6 2 0 33.883 67.766 1.60441 142.2 11.8 11.4 5.9
64 2 5 1 34.086 68.173 1.59599 135.2 11.2 10.8 5.9
65 -1 1 4 34.119 68.238 1.59465 45.2 3.8 3.6 5.9
66 -3 4 3 34.209 68.418 1.59097 53.7 4.5 4.3 5.9
67 -3 6 1 34.28 68.559 1.58808 13.9 1.2 1.1 5.9
68 7 0 1 34.394 68.788 1.58346 53.6 4.5 4.3 5.9
69 2 0 4 34.97 69.941 1.56059 74.4 6.2 5.9 5.9
70 -6 5 1 35.01 70.019 1.55907 36.4 3.0 2.9 5.9
71 1 5 2 35.068 70.136 1.5568 28.1 2.3 2.2 5.9
72 -6 4 2 35.193 70.386 1.55199 27.7 2.3 2.2 5.9
73 0 2 4 35.673 71.345 1.53383 61.1 5.1 4.9 5.9
74 -5 5 2 35.753 71.506 1.53084 69.6 5.8 5.5 5.9
75 -2 2 4 36.059 72.118 1.51959 67.1 5.6 5.3 5.9
76 -7 1 2 36.478 72.956 1.50453 50.0 4.2 4.0 6.0
77 -8 2 0 36.609 73.219 1.49987 39.6 3.3 3.1 6.0
78 -5 6 1 36.926 73.852 1.48882 38.9 3.2 3.1 6.0
79 -7 3 2 37.003 74.007 1.48615 59.8 5.0 4.7 6.0
80 -2 5 3 37.799 75.598 1.45941 93.2 7.8 7.3 6.0
81 1 6 1 37.867 75.734 1.45717 45.3 3.8 3.6 6.0
82 5 3 2 37.944 75.887 1.45468 74.0 6.2 5.8 6.0
83 3 1 4 38.158 76.315 1.44775 132.6 11.0 10.4 6.0
84 2 2 4 38.213 76.427 1.44596 13.2 1.1 1.0 6.0
85 -8 3 1 38.265 76.53 1.44431 44.9 3.7 3.5 6.0
86 6 2 2 38.458 76.916 1.43818 13.1 1.1 1.0 6.0
87 -4 6 2 38.643 77.287 1.43235 37.1 3.1 2.9 6.0
88 4 4 2 38.68 77.361 1.4312 75.0 6.2 5.9 6.0
89 -6 3 3 38.716 77.431 1.43009 59.6 5.0 4.7 6.0
90 8 0 0 38.76 77.52 1.42871 37.0 3.1 2.9 6.0
91 0 5 3 39.019 78.038 1.42072 55.3 4.6 4.3 6.0
92 -4 2 4 39.341 78.682 1.41097 29.8 2.5 2.3 6.0
93 -4 5 3 39.459 78.919 1.40742 83.0 6.9 6.5 6.0
94 5 4 1 39.629 79.257 1.40239 18.9 1.6 1.5 6.0
95 7 1 2 40.209 80.417 1.38553 12.3 1.0 1.0 6.0
96 7 2 1 40.308 80.615 1.38271 18.0 1.5 1.4 6.1
97 -2 7 1 40.506 81.013 1.37708 78.1 6.5 6.1 6.1
98 6 1 3 40.839 81.678 1.36781 59.2 4.9 4.6 6.1
99 -4 7 1 41.095 82.191 1.36078 34.4 2.9 2.7 6.1
100 4 5 1 41.139 82.278 1.3596 17.1 1.4 1.3 6.1
101 -7 6 1 42.34 84.681 1.32801 37.3 3.1 2.9 6.1
102 -8 5 1 42.441 84.882 1.32546 27.4 2.3 2.1 6.1
103 -6 6 2 42.601 85.201 1.32143 15.1 1.3 1.2 6.1
104 2 5 3 43.056 86.112 1.31015 48.4 4.0 3.7 6.1
105 -3 6 3 43.236 86.473 1.30576 13.7 1.1 1.1 6.1
106 -5 3 4 43.303 86.606 1.30415 49.9 4.2 3.8 6.1
107 -4 4 4 43.502 87.004 1.29937 49.1 4.1 3.8 6.1
108 -3 7 2 43.731 87.462 1.29394 13.5 1.1 1.0 6.2
109 2 6 2 43.814 87.628 1.29198 20.3 1.7 1.6 6.2
110 1 0 5 43.919 87.838 1.28951 29.1 2.4 2.2 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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