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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WAGNERITE
7, g-wagnerite, DF
(Mg,Fe)(2)F[PO(4)]
Monoclinic C 2/c Z = 8
R =0.0306
7 .7 .15
Ref.Str.:
B. Lazic, T. Armbruster, C. Chopin, E.S. Grew, A. Baronnet, L. Palatinus
(2014) * Acta Cryst., B70, 243-258
L: $F1 Fe0.185 Mg1.815 O4 P1$
R: Locality - Khyakhta, Russia. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.7978 alpha = 90.0
b = 6.3523 beta = 117.57
c = 9.6642 gamma = 90.0
Unit cell volume (cub. angs.) = 696.46
Molar volume ( cub.cm/mol.) = 52.44
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0589 0.273 0.0085 0.0 Fe = 0.15, Mg = 0.85
2 0.844 0.1091 0.1358 0.0 Fe = 0.04, Mg = 0.96
3 0.1747 0.6013 0.3058 0.0 P = 1.00
4 0.9924 0.1537 0.1561 0.0 F = 0.5 , F = 0.0
5 0.9681 0.0792 0.0491 0.0 F = 0.5 , F = 0.0
6 0.0803 0.5436 0.1414 0.0 O = 1.00
7 0.1939 0.421 0.4213 0.0 O = 1.00
8 0.1319 0.2071 0.863 0.0 O = 1.00
9 0.2909 0.6508 0.3031 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0589 0.273 0.0085
2 2 0.844 0.1091 0.1358
3 3 0.1747 0.6013 0.3058
4 4 0.9924 0.1537 0.1561
5 5 0.9681 0.0792 0.0491
6 6 0.0803 0.5436 0.1414
7 7 0.1939 0.421 0.4213
8 8 0.1319 0.2071 0.863
9 9 0.2909 0.6508 0.3031
10 1 0.9411 0.727 0.9915
11 2 0.156 0.8909 0.8642
12 3 0.8253 0.3987 0.6942
13 4 0.0076 0.8463 0.8439
14 5 0.0319 0.9208 0.9509
15 6 0.9197 0.4564 0.8586
16 7 0.8061 0.579 0.5787
17 8 0.8681 0.7929 0.137
18 9 0.7091 0.3492 0.6969
19 1 0.0589 0.727 0.5085
20 2 0.844 0.8909 0.6358
21 3 0.1747 0.3987 0.8058
22 4 0.9924 0.8463 0.6561
23 5 0.9681 0.9208 0.5491
24 6 0.0803 0.4564 0.6414
25 7 0.1939 0.579 0.9213
26 8 0.1319 0.7929 0.363
27 9 0.2909 0.3492 0.8031
28 1 0.9411 0.273 0.4915
29 2 0.156 0.1091 0.3642
30 3 0.8253 0.6013 0.1942
31 4 0.0076 0.1537 0.3439
32 5 0.0319 0.0792 0.4509
33 6 0.9197 0.5436 0.3586
34 7 0.8061 0.421 0.0787
35 8 0.8681 0.2071 0.637
36 9 0.7091 0.6508 0.1969
37 1 0.5589 0.227 0.5085
38 2 0.344 0.3909 0.6358
39 3 0.6747 0.8987 0.8058
40 4 0.4924 0.3463 0.6561
41 5 0.4681 0.4208 0.5491
42 6 0.5803 0.9564 0.6414
43 7 0.6939 0.079 0.9213
44 8 0.6319 0.2929 0.363
45 9 0.7909 0.8492 0.8031
46 1 0.4411 0.773 0.4915
47 2 0.656 0.6091 0.3642
48 3 0.3253 0.1013 0.1942
49 4 0.5076 0.6537 0.3439
50 5 0.5319 0.5792 0.4509
51 6 0.4197 0.0436 0.3586
52 7 0.3061 0.921 0.0787
53 8 0.3681 0.7071 0.637
54 9 0.2091 0.1508 0.1969
55 1 0.5589 0.773 0.0085
56 2 0.344 0.6091 0.1358
57 3 0.6747 0.1013 0.3058
58 4 0.4924 0.6537 0.1561
59 5 0.4681 0.5792 0.0491
60 6 0.5803 0.0436 0.1414
61 7 0.6939 0.921 0.4213
62 8 0.6319 0.7071 0.863
63 9 0.7909 0.1508 0.3031
64 1 0.4411 0.227 0.9915
65 2 0.656 0.3909 0.8642
66 3 0.3253 0.8987 0.6942
67 4 0.5076 0.3463 0.8439
68 5 0.5319 0.4208 0.9509
69 6 0.4197 0.9564 0.8586
70 7 0.3061 0.079 0.5787
71 8 0.3681 0.2929 0.137
72 9 0.2091 0.8492 0.6969
X-ray density (g/cm cub.) = 3.21
MU (1/cm) = 158.716 Mass attenuation coefficient (cm**2/g) = 49.42
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Mg 2.592 7
2.112 4
1.8551 5
2.0868 6
2.0592 8
2.293 5
2.0591 6
2.0914 9
2 Fe ,Mg 2.592 7
1.8383 4
2.1199 5
2.0316 8
2.147 4
2.0538 7
2.083 7
2.0399 9
3 P 2.232 4
1.5304 6
1.537 7
1.5324 9
1.5382 8
4 F ,F 3.228 11
1.0454 5
2.7511 6
3.1599 7
2.7034 5
3.2182 6
2.7471 8
3.0227 8
1.7324 4
2.6944 5
2.7345 7
2.6146 9
5 F ,F 3.228 11
1.0454 4
3.2206 6
2.7034 4
1.8157 5
2.9085 6
2.5838 8
2.6944 4
3.106 7
3.1349 7
2.8182 9
2.7711 9
6 O 3.264 11
2.7511 4
3.2206 5
2.529 7
2.5045 9
3.2182 4
2.9085 5
2.6082 6
3.127 8
3.0913 7
2.4942 8
2.9003 9
7 O 3.264 11
3.1599 4
2.529 6
2.5076 9
3.0913 6
2.4724 8
2.7345 4
3.106 5
3.1349 5
2.8835 8
2.8415 9
2.6596 7
8 O 3.264 12
2.7471 4
2.5838 5
3.127 6
3.0227 4
2.4942 6
2.4724 7
2.5258 9
3.0576 8
2.8835 7
2.9266 9
3.0053 8
3.1922 9
9 O 3.264 10
2.5045 6
2.5076 7
2.5258 8
2.8182 5
2.6146 4
2.7711 5
2.9003 6
2.8415 7
2.9266 8
3.1922 8
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 9.073 18.145 0.088 77.5 2 27.9 24.9
2 1 1 0 9.287 18.574 0.09 73.87 4 14.4 12.7
3 1 1 -1 9.86 19.721 0.096 65.28 4 29.3 46.2
4 2 0 -2 11.24 22.48 0.109 49.75 2 15.3 4.8
5 0 0 2 12.053 24.106 0.117 42.99 2 12.6 2.8
6 1 1 1 12.187 24.374 0.118 42.0 4 39.0 52.8
7 1 1 -2 13.489 26.978 0.13 33.91 4 26.6 19.8
8 3 1 -1 14.633 29.265 0.141 28.52 4 41.0 39.6
9 3 1 -2 15.748 31.496 0.152 24.36 4 122.6 301.8
10 3 1 0 15.978 31.956 0.154 23.61 4 50.7 50.0
11 0 2 0 16.357 32.714 0.157 22.44 2 26.2 6.3
12 4 0 -2 16.651 33.303 0.16 21.59 2 208.9 388.6
13 1 1 2 16.939 33.878 0.163 20.8 4 8.8 1.3
14 0 2 1 17.479 34.957 0.168 19.43 4 191.2 585.7
15 2 0 2 18.334 36.668 0.176 17.5 2 262.3 496.4
16 4 0 0 18.383 36.766 0.176 17.39 2 61.9 27.5
17 2 2 -1 18.419 36.839 0.177 17.32 4 14.6 3.0
18 1 1 -3 18.558 37.116 0.178 17.04 4 68.4 65.6
19 2 2 0 18.83 37.66 0.18 16.5 4 58.5 46.6
20 3 1 -3 18.936 37.872 0.181 16.29 4 118.1 187.3
21 3 1 1 19.327 38.653 0.185 15.58 4 96.8 120.2
22 2 2 -2 20.029 40.057 0.191 14.39 4 39.3 18.3
23 0 2 2 20.523 41.047 0.196 13.63 4 61.7 42.8
24 2 2 1 21.161 42.322 0.202 12.73 4 83.3 72.9
25 2 0 -4 21.834 43.668 0.208 11.86 2 91.4 40.8
26 5 1 -2 22.19 44.38 0.211 11.44 4 11.7 1.3
27 1 1 3 22.545 45.091 0.214 11.04 4 4.9 0.2
28 5 1 -1 22.629 45.257 0.215 10.94 4 3.0 0.1
29 4 0 -4 22.944 45.888 0.218 10.61 2 70.9 22.0
30 2 2 -3 23.309 46.617 0.221 10.24 4 37.0 11.6
31 3 1 -4 23.481 46.962 0.223 10.07 4 65.4 35.5
32 5 1 -3 23.504 47.008 0.223 10.04 4 48.9 19.8
33 4 2 -1 23.515 47.03 0.223 10.03 4 4.2 0.1
34 4 2 -2 23.689 47.378 0.225 9.87 4 79.2 51.0
35 3 1 2 23.973 47.947 0.227 9.6 4 94.6 70.9
36 1 1 -4 24.349 48.697 0.23 9.27 4 44.8 15.4
37 0 0 4 24.685 49.37 0.233 8.99 2 69.3 17.8
38 5 1 0 24.747 49.493 0.234 8.93 4 8.7 0.6
39 6 0 -2 24.801 49.603 0.234 8.89 2 56.3 11.6
40 0 2 3 24.911 49.822 0.235 8.8 4 37.3 10.1
41 2 2 2 24.974 49.947 0.236 8.75 4 68.1 33.5
42 4 2 0 25.012 50.024 0.236 8.72 4 7.0 0.4
43 1 3 0 25.45 50.9 0.24 8.38 4 51.4 18.3
44 4 2 -3 25.508 51.016 0.241 8.34 4 106.0 77.3
45 1 3 -1 25.691 51.383 0.242 8.2 4 99.0 66.3
46 5 1 -4 26.369 52.737 0.248 7.73 4 17.2 1.9
47 1 3 1 26.792 53.584 0.252 7.46 4 83.2 42.6
48 4 0 2 26.852 53.703 0.252 7.42 2 105.9 34.3
49 1 3 -2 27.487 54.974 0.258 7.03 4 49.6 14.3
50 6 0 -4 27.648 55.297 0.259 6.94 2 154.4 68.2
51 2 2 -4 27.808 55.616 0.261 6.85 4 70.9 28.4
52 4 2 1 27.982 55.964 0.262 6.76 4 23.5 3.1
53 3 3 -1 28.14 56.28 0.264 6.67 4 88.4 43.0
54 6 0 0 28.233 56.466 0.264 6.62 2 106.0 30.7
55 5 1 1 28.263 56.527 0.265 6.6 4 108.2 63.8
56 1 1 4 28.722 57.443 0.269 6.37 4 10.2 0.5
57 4 2 -4 28.745 57.49 0.269 6.36 4 57.6 17.4
58 3 3 -2 28.813 57.626 0.269 6.32 4 36.3 6.9
59 3 1 -5 28.93 57.86 0.27 6.26 4 30.1 4.7
60 3 3 0 28.956 57.912 0.271 6.25 4 46.1 11.0
61 3 1 3 29.498 58.996 0.275 6.0 4 67.6 22.6
62 1 3 2 29.568 59.136 0.276 5.96 4 42.6 8.9
63 2 2 3 29.867 59.734 0.278 5.83 4 104.3 52.3
64 0 2 4 30.246 60.491 0.282 5.67 4 76.7 27.5
65 6 2 -2 30.347 60.694 0.282 5.63 4 11.0 0.6
66 5 1 -5 30.479 60.958 0.284 5.57 4 71.3 23.4
67 1 3 -3 30.651 61.303 0.285 5.5 4 71.8 23.4
68 2 0 4 30.672 61.345 0.285 5.5 2 11.7 0.3
69 1 1 -5 30.688 61.376 0.285 5.49 4 81.9 30.3
70 7 1 -2 30.746 61.492 0.286 5.47 4 60.1 16.3
71 7 1 -3 30.822 61.644 0.286 5.44 4 12.9 0.7
72 3 3 -3 30.913 61.826 0.287 5.4 4 84.8 32.1
73 6 2 -3 30.921 61.843 0.287 5.4 4 22.2 2.2
74 3 3 1 31.187 62.374 0.289 5.3 4 101.5 45.0
75 6 2 -1 31.195 62.39 0.29 5.29 4 100.0 43.7
76 7 1 -1 32.075 64.149 0.297 4.98 4 23.0 2.2
77 4 2 2 32.16 64.319 0.298 4.95 4 37.9 5.9
78 7 1 -4 32.298 64.596 0.299 4.91 4 136.0 74.8
79 6 2 -4 32.875 65.751 0.303 4.72 4 51.7 10.4
80 5 1 2 32.899 65.798 0.304 4.72 4 2.6 0.0
81 4 2 -5 33.143 66.285 0.306 4.64 4 9.3 0.3
82 2 2 -5 33.242 66.485 0.306 4.61 4 76.5 22.2
83 5 3 -2 33.29 66.579 0.307 4.6 4 44.0 7.3
84 6 2 0 33.404 66.808 0.308 4.57 4 42.9 6.9
85 1 3 3 33.562 67.123 0.309 4.52 4 23.4 2.0
86 5 3 -1 33.626 67.251 0.31 4.5 4 49.9 9.3
87 4 0 -6 33.773 67.546 0.311 4.46 2 49.9 4.6
88 0 4 0 34.28 68.56 0.315 4.32 2 85.3 13.0
89 3 3 -4 34.289 68.577 0.315 4.32 4 35.9 4.6
90 5 3 -3 34.307 68.613 0.315 4.32 4 145.3 75.2
91 8 0 -2 34.421 68.842 0.316 4.29 2 184.3 60.1
92 3 3 2 34.677 69.355 0.318 4.22 4 1.0 0.0
93 7 1 0 34.721 69.442 0.318 4.21 4 85.9 25.6
94 2 0 -6 34.809 69.619 0.319 4.19 2 81.2 11.4
95 0 4 1 34.948 69.896 0.32 4.16 4 60.4 12.5
96 8 0 -4 34.966 69.933 0.32 4.15 2 4.0 0.0
97 1 3 -4 34.976 69.952 0.32 4.15 4 129.5 57.4
98 7 1 -5 35.078 70.157 0.321 4.13 4 141.6 68.3
99 3 1 -6 35.126 70.252 0.322 4.11 4 16.2 0.9
100 5 3 0 35.296 70.591 0.323 4.08 4 16.4 0.9
101 1 1 5 35.466 70.933 0.324 4.04 4 119.4 47.5
102 2 4 -1 35.533 71.066 0.325 4.02 4 1.4 0.0
103 5 1 -6 35.614 71.227 0.326 4.0 4 39.8 5.2
104 2 2 4 35.641 71.281 0.326 4.0 4 27.7 2.5
105 3 1 4 35.766 71.532 0.327 3.97 4 26.4 2.3
106 6 0 -6 35.785 71.57 0.327 3.97 2 41.6 2.8
107 2 4 0 35.795 71.591 0.327 3.96 4 109.5 39.2
108 6 2 -5 36.093 72.187 0.329 3.9 4 29.1 2.7
109 0 2 5 36.381 72.762 0.332 3.84 4 89.6 25.4
110 2 4 -2 36.585 73.169 0.333 3.8 4 83.0 21.6
111 5 3 -4 36.624 73.248 0.333 3.79 4 7.9 0.2
112 6 0 2 36.799 73.598 0.335 3.76 2 112.2 19.5
113 6 2 1 36.852 73.705 0.335 3.75 4 87.0 23.4
114 0 4 2 36.92 73.84 0.336 3.73 4 110.0 37.2
115 2 4 1 37.36 74.721 0.339 3.65 4 6.5 0.1
116 4 2 3 37.364 74.729 0.339 3.65 4 106.8 34.4
117 1 1 -6 37.629 75.257 0.341 3.61 4 98.5 28.8
118 5 3 1 38.225 76.449 0.346 3.51 4 44.3 5.7
119 5 1 3 38.506 77.012 0.348 3.46 4 104.2 31.0
120 4 2 -6 38.548 77.096 0.348 3.46 4 41.5 4.9
121 7 1 1 38.566 77.133 0.348 3.45 4 2.8 0.0
122 1 3 4 38.619 77.238 0.349 3.45 4 39.9 4.5
123 8 2 -3 38.786 77.572 0.35 3.42 4 50.2 7.1
124 0 0 6 38.788 77.576 0.35 3.42 2 140.4 27.8
125 3 3 -5 38.8 77.599 0.35 3.42 4 99.7 28.0
126 2 4 -3 38.909 77.818 0.351 3.4 4 36.1 3.7
127 4 0 4 38.984 77.969 0.352 3.39 2 101.7 14.5
128 7 1 -6 39.047 78.094 0.352 3.38 4 67.8 12.8
129 4 4 -1 39.063 78.126 0.352 3.38 4 111.8 34.9
130 8 0 0 39.105 78.21 0.353 3.37 2 128.3 22.9
131 8 2 -2 39.164 78.328 0.353 3.37 4 44.6 5.5
132 4 4 -2 39.193 78.386 0.353 3.36 4 43.3 5.2
133 3 3 3 39.294 78.588 0.354 3.35 4 84.3 19.6
134 2 2 -6 39.534 79.068 0.356 3.32 4 98.4 26.5
135 8 2 -4 39.684 79.368 0.357 3.3 4 104.0 29.4
136 0 4 3 40.126 80.252 0.36 3.24 4 17.7 0.8
137 9 1 -3 40.149 80.297 0.36 3.24 4 62.9 10.6
138 5 3 -5 40.158 80.316 0.36 3.24 4 139.4 51.8
139 2 4 2 40.175 80.349 0.361 3.23 4 77.2 15.9
140 4 4 0 40.204 80.409 0.361 3.23 4 10.1 0.3
141 1 3 -5 40.344 80.687 0.362 3.21 4 96.2 24.5
142 7 3 -2 40.395 80.79 0.362 3.21 4 33.6 3.0
143 7 3 -3 40.463 80.926 0.363 3.2 4 126.7 42.3
144 6 2 -6 40.468 80.937 0.363 3.2 4 6.3 0.1
145 4 4 -3 40.592 81.184 0.364 3.18 4 40.5 4.3
146 9 1 -4 40.598 81.195 0.364 3.18 4 37.8 3.8
147 8 0 -6 40.661 81.321 0.364 3.18 2 34.6 1.6
148 8 2 -1 40.808 81.615 0.365 3.16 4 35.9 3.3
149 9 1 -2 40.964 81.929 0.366 3.14 4 94.9 23.4
150 6 2 2 41.446 82.891 0.37 3.09 4 77.0 15.1
151 7 3 -1 41.589 83.178 0.371 3.08 4 88.9 20.1
152 5 1 -7 41.71 83.42 0.372 3.07 4 84.9 18.2
153 7 3 -4 41.791 83.583 0.373 3.06 4 37.8 3.6
154 8 2 -5 41.837 83.673 0.373 3.05 4 63.7 10.2
155 3 1 -7 42.126 84.251 0.375 3.03 4 12.1 0.4
156 2 2 5 42.297 84.593 0.376 3.01 4 22.2 1.2
157 9 1 -5 42.303 84.606 0.376 3.01 4 50.6 6.3
158 5 3 2 42.34 84.68 0.377 3.01 4 41.8 4.3
159 2 4 -4 42.45 84.901 0.377 3.0 4 2.6 0.0
160 4 4 1 42.595 85.19 0.378 2.99 4 16.0 0.6
161 3 1 5 42.854 85.708 0.38 2.97 4 26.8 1.8
162 1 1 6 42.946 85.893 0.381 2.96 4 103.9 26.3
163 9 1 -1 43.031 86.063 0.381 2.95 4 38.5 3.6
164 4 4 -4 43.234 86.469 0.383 2.94 4 33.8 2.8
165 0 2 6 43.38 86.76 0.384 2.93 4 62.8 9.5
166 7 1 2 43.549 87.098 0.385 2.91 4 5.5 0.1
167 4 2 4 43.572 87.144 0.385 2.91 4 31.8 2.4
168 8 2 0 43.69 87.38 0.386 2.9 4 5.9 0.1
169 7 3 0 44.028 88.056 0.389 2.88 4 28.8 2.0
170 7 1 -7 44.154 88.307 0.389 2.87 4 16.5 0.6
171 2 4 3 44.193 88.386 0.39 2.87 4 99.2 23.3
172 7 3 -5 44.363 88.727 0.391 2.86 4 111.9 29.6
173 3 3 -6 44.409 88.817 0.391 2.86 4 29.4 2.0
174 10 0 -4 44.5 88.999 0.392 2.85 2 84.3 8.4
175 0 4 4 44.521 89.043 0.392 2.85 4 71.1 11.9
176 6 4 -2 44.61 89.22 0.393 2.85 4 22.8 1.2
177 1 3 5 44.729 89.459 0.393 2.84 4 69.4 11.3
178 5 3 -6 44.869 89.737 0.394 2.84 4 44.8 4.7
179 4 2 -7 44.976 89.951 0.395 2.83 4 11.5 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 2 0 0 9.073 18.145 5.67243 24.9 4.2 4.3 5.6
2 1 1 0 9.287 18.574 5.54259 12.7 2.2 2.2 5.6
3 1 1 -1 9.86 19.721 5.22325 46.2 7.9 8.0 5.6
4 1 1 1 12.187 24.374 4.23714 52.8 9.0 9.1 5.6
5 1 1 -2 13.489 26.978 3.83466 19.8 3.4 3.4 5.6
6 3 1 -1 14.633 29.265 3.54075 39.6 6.8 6.8 5.6
7 3 1 -2 15.748 31.496 3.29564 301.8 51.5 51.7 5.6
8 3 1 0 15.978 31.956 3.24941 50.0 8.5 8.6 5.6
9 0 2 0 16.357 32.714 3.17615 6.3 1.1 1.1 5.6
10 4 0 -2 16.651 33.303 3.1215 388.6 66.4 66.5 5.6
11 0 2 1 17.479 34.957 2.97807 585.7 100.0 100.0 5.7
12 2 0 2 18.334 36.668 2.84358 496.4 84.7 84.6 5.7
13 4 0 0 18.383 36.766 2.83622 27.5 4.7 4.7 5.7
14 1 1 -3 18.558 37.116 2.81041 65.6 11.2 11.2 5.7
15 2 2 0 18.83 37.66 2.7713 46.6 8.0 7.9 5.7
16 3 1 -3 18.936 37.872 2.75631 187.3 32.0 31.9 5.7
17 3 1 1 19.327 38.653 2.70267 120.2 20.5 20.5 5.7
18 2 2 -2 20.029 40.057 2.61163 18.3 3.1 3.1 5.7
19 0 2 2 20.523 41.047 2.55131 42.8 7.3 7.3 5.7
20 2 2 1 21.161 42.322 2.47781 72.9 12.4 12.4 5.7
21 2 0 -4 21.834 43.668 2.40496 40.8 7.0 6.9 5.7
22 4 0 -4 22.944 45.888 2.29449 22.0 3.8 3.7 5.7
23 2 2 -3 23.309 46.617 2.26054 11.6 2.0 2.0 5.7
24 3 1 -4 23.481 46.962 2.24488 55.3 9.4 9.3 5.7
25 4 2 -2 23.689 47.378 2.22631 51.0 8.7 8.6 5.7
26 3 1 2 23.973 47.947 2.2014 70.9 12.1 12.0 5.7
27 1 1 -4 24.349 48.697 2.1695 15.4 2.6 2.6 5.7
28 0 0 4 24.685 49.37 2.14176 17.8 3.0 3.0 5.7
29 6 0 -2 24.801 49.603 2.13235 11.6 2.0 2.0 5.7
30 0 2 3 24.911 49.822 2.12356 10.1 1.7 1.7 5.7
31 2 2 2 24.974 49.947 2.11857 33.5 5.7 5.6 5.7
32 1 3 0 25.45 50.9 2.08149 18.3 3.1 3.1 5.8
33 4 2 -3 25.508 51.016 2.07707 77.3 13.2 13.0 5.8
34 1 3 -1 25.691 51.383 2.06324 66.3 11.3 11.1 5.8
35 1 3 1 26.792 53.584 1.98436 42.6 7.3 7.1 5.8
36 4 0 2 26.852 53.703 1.9803 34.3 5.9 5.7 5.8
37 1 3 -2 27.487 54.974 1.93796 14.3 2.4 2.4 5.8
38 6 0 -4 27.648 55.297 1.92753 68.2 11.7 11.4 5.8
39 2 2 -4 27.808 55.616 1.91733 28.4 4.9 4.7 5.8
40 3 3 -1 28.14 56.28 1.89654 43.0 7.3 7.2 5.8
41 6 0 0 28.233 56.466 1.89081 30.7 5.2 5.1 5.8
42 5 1 1 28.263 56.527 1.88893 63.8 10.9 10.6 5.8
43 4 2 -4 28.745 57.49 1.85993 17.4 3.0 2.9 5.8
44 3 3 -2 28.813 57.626 1.85591 6.9 1.2 1.1 5.8
45 3 3 0 28.956 57.912 1.84753 15.6 2.7 2.6 5.8
46 3 1 3 29.498 58.996 1.81655 22.6 3.9 3.8 5.8
47 1 3 2 29.568 59.136 1.81263 8.9 1.5 1.5 5.8
48 2 2 3 29.867 59.734 1.79613 52.3 8.9 8.7 5.8
49 0 2 4 30.246 60.491 1.77575 27.5 4.7 4.6 5.8
50 5 1 -5 30.479 60.958 1.76344 23.4 4.0 3.9 5.8
51 1 3 -3 30.651 61.303 1.75448 23.7 4.0 3.9 5.8
52 1 1 -5 30.688 61.376 1.7526 30.3 5.2 5.0 5.8
53 7 1 -2 30.746 61.492 1.74962 16.3 2.8 2.7 5.8
54 3 3 -3 30.913 61.826 1.74108 34.3 5.8 5.7 5.8
55 3 3 1 31.187 62.374 1.72732 88.6 15.1 14.6 5.8
56 4 2 2 32.16 64.319 1.68043 5.9 1.0 1.0 5.9
57 7 1 -4 32.298 64.596 1.67401 74.8 12.8 12.3 5.9
58 6 2 -4 32.875 65.751 1.64782 10.4 1.8 1.7 5.9
59 2 2 -5 33.242 66.485 1.63168 22.2 3.8 3.7 5.9
60 5 3 -2 33.29 66.579 1.62963 7.3 1.3 1.2 5.9
61 6 2 0 33.404 66.808 1.62471 6.9 1.2 1.1 5.9
62 5 3 -1 33.626 67.251 1.61524 9.3 1.6 1.5 5.9
63 5 3 -3 34.307 68.613 1.58698 92.7 15.8 15.2 5.9
64 8 0 -2 34.421 68.842 1.58235 60.1 10.3 9.8 5.9
65 7 1 0 34.721 69.442 1.57039 25.6 4.4 4.2 5.9
66 2 0 -6 34.809 69.619 1.5669 11.4 1.9 1.9 5.9
67 1 3 -4 34.976 69.952 1.56037 69.9 11.9 11.4 5.9
68 7 1 -5 35.078 70.157 1.55641 68.3 11.7 11.1 5.9
69 1 1 5 35.466 70.933 1.54158 47.5 8.1 7.7 5.9
70 5 1 -6 35.614 71.227 1.53604 7.8 1.3 1.3 5.9
71 2 4 0 35.795 71.591 1.52927 44.3 7.6 7.2 5.9
72 0 2 5 36.381 72.762 1.50798 25.4 4.3 4.1 6.0
73 2 4 -2 36.585 73.169 1.50075 21.6 3.7 3.5 6.0
74 6 0 2 36.799 73.598 1.49323 19.5 3.3 3.2 6.0
75 6 2 1 36.852 73.705 1.49138 23.4 4.0 3.8 6.0
76 0 4 2 36.92 73.84 1.48904 37.2 6.4 6.0 6.0
77 4 2 3 37.364 74.729 1.47386 34.4 5.9 5.6 6.0
78 1 1 -6 37.629 75.257 1.46503 28.8 4.9 4.7 6.0
79 5 1 3 38.506 77.012 1.43666 31.0 5.3 5.0 6.0
80 3 3 -5 38.8 77.599 1.42749 63.0 10.7 10.1 6.0
81 4 0 4 38.984 77.969 1.42179 14.5 2.5 2.3 6.0
82 4 4 -1 39.063 78.126 1.41939 47.7 8.1 7.7 6.0
83 8 0 0 39.105 78.21 1.41811 22.9 3.9 3.7 6.0
84 8 2 -2 39.164 78.328 1.41632 10.7 1.8 1.7 6.0
85 3 3 3 39.294 78.588 1.41238 19.6 3.3 3.1 6.0
86 2 2 -6 39.534 79.068 1.4052 26.5 4.5 4.2 6.0
87 8 2 -4 39.684 79.368 1.40077 29.4 5.0 4.7 6.0
88 2 4 2 40.175 80.349 1.3865 78.3 13.4 12.5 6.0
89 1 3 -5 40.344 80.687 1.38168 24.5 4.2 3.9 6.1
90 7 3 -3 40.463 80.926 1.37831 42.4 7.2 6.8 6.1
91 4 4 -3 40.592 81.184 1.37467 8.1 1.4 1.3 6.1
92 9 1 -2 40.964 81.929 1.36436 23.4 4.0 3.7 6.1
93 6 2 2 41.446 82.891 1.35133 15.1 2.6 2.4 6.1
94 7 3 -1 41.589 83.178 1.34753 20.1 3.4 3.2 6.1
95 5 1 -7 41.71 83.42 1.34432 18.2 3.1 2.9 6.1
96 8 2 -5 41.837 83.673 1.341 10.2 1.7 1.6 6.1
97 9 1 -5 42.303 84.606 1.32896 7.6 1.3 1.2 6.1
98 1 1 6 42.946 85.893 1.31284 26.3 4.5 4.2 6.1
99 0 2 6 43.38 86.76 1.3023 9.5 1.6 1.5 6.1
100 2 4 3 44.193 88.386 1.28315 23.3 4.0 3.7 6.2
101 7 3 -5 44.363 88.727 1.27925 29.6 5.0 4.6 6.2
102 0 4 4 44.521 89.043 1.27566 20.3 3.5 3.2 6.2
103 1 3 5 44.729 89.459 1.27097 11.3 1.9 1.8 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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