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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MANUELAROSSIITE
1, DN
CaPbAlF(7)
Monoclinic C 2/m Z = 4
R =0.056 NR =849
14 .3 .25
Ref.Str.:
Nestola F., Kasatkin A.V., Biagioni C., Gurzhiy V.V., Skoda R.,
Santello L., Agakhanov A.A. (2025)
* Mineral. Mag., doi.org/10.1180/mgm.2024.59
L: $Ca1.00 Pb1.00 Al1.00 F6.25 O0.75 H0.75$
R: Locality - Vesuvius volcano, Naples Province, Campania, Italy.
IMA2022-097. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.6754 alpha = 90.0
b = 7.4443 beta = 93.93
c = 9.287 gamma = 90.0
Unit cell volume (cub. angs.) = 529.39
Molar volume ( cub.cm/mol.) = 79.72
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.216 0.5 0.8632 0.0 Pb = 0.96, Pb = 0.0
2 0.366 0.5 0.86 0.0 Pb = 0.04, Pb = 0.0
3 0.0 0.2578 0.5 0.0 Ca = 1.00
4 0.3014 0.5 0.2374 0.0 Al = 1.00
5 0.0988 0.5 0.6299 0.0 F = 1.00
6 0.0997 0.5 0.1311 0.0 F = 1.00
7 0.5108 0.5 0.3464 0.0 F = 1.00
8 0.2352 0.3284 0.3606 0.0 F = 1.00
9 0.3839 0.3263 0.1254 0.0 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.216 0.5 0.8632
2 2 0.366 0.5 0.86
3 3 0.0 0.2578 0.5
4 4 0.3014 0.5 0.2374
5 5 0.0988 0.5 0.6299
6 6 0.0997 0.5 0.1311
7 7 0.5108 0.5 0.3464
8 8 0.2352 0.3284 0.3606
9 9 0.3839 0.3263 0.1254
10 1 0.784 0.5 0.1368
11 2 0.634 0.5 0.14
12 3 0.0 0.7422 0.5
13 4 0.6986 0.5 0.7626
14 5 0.9012 0.5 0.3701
15 6 0.9003 0.5 0.8689
16 7 0.4892 0.5 0.6536
17 8 0.7648 0.6716 0.6394
18 9 0.6161 0.6737 0.8746
19 8 0.2352 0.6716 0.3606
20 9 0.3839 0.6737 0.1254
21 8 0.7648 0.3284 0.6394
22 9 0.6161 0.3263 0.8746
23 1 0.716 0.0 0.8632
24 2 0.866 0.0 0.86
25 3 0.5 0.2422 0.5
26 4 0.8014 0.0 0.2374
27 5 0.5988 0.0 0.6299
28 6 0.5997 0.0 0.1311
29 7 0.0108 0.0 0.3464
30 8 0.7352 0.1716 0.3606
31 9 0.8839 0.1737 0.1254
32 1 0.284 0.0 0.1368
33 2 0.134 0.0 0.14
34 3 0.5 0.7578 0.5
35 4 0.1986 0.0 0.7626
36 5 0.4012 0.0 0.3701
37 6 0.4003 0.0 0.8689
38 7 0.9892 0.0 0.6536
39 8 0.2648 0.8284 0.6394
40 9 0.1161 0.8263 0.8746
41 8 0.7352 0.8284 0.3606
42 9 0.8839 0.8263 0.1254
43 8 0.2648 0.1716 0.6394
44 9 0.1161 0.1737 0.8746
X-ray density (g/cm cub.) = 5.11
MU (1/cm) = 1057.85 Mass attenuation coefficient (cm**2/g) = 207.099
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Pb 3.108 8
2.2886 5
2.6997 6
2.9717 9
2.427 6
2.9578 7
2.9717 9
2.5515 9
2.5515 9
2 Pb ,Pb 3.108 8
2.8587 5
2.7784 9
2.1947 7
2.3108 9
2.7784 9
2.3108 9
3.1038 9
3.1038 9
3 Ca 2.844 8
2.2707 5
2.3519 8
2.2707 5
2.3519 8
2.396 7
2.4204 8
2.396 7
2.4204 8
4 Al 2.28 6
1.7782 6
1.8398 7
1.8107 8
1.8014 9
1.8107 8
1.8014 9
5 F 3.192 9
3.0564 8
2.7605 5
2.7769 6
2.9895 7
2.871 8
3.0564 8
2.871 8
2.7554 8
2.7554 8
6 F 3.192 8
2.6368 8
2.5395 9
2.7769 5
2.7859 6
2.6368 8
2.5395 9
2.9385 9
2.9385 9
7 F 3.192 8
2.4824 8
2.5611 9
2.9895 5
2.8691 7
2.4824 8
2.5611 9
2.9882 8
2.9882 8
8 F 3.192 9
3.0564 5
2.6368 6
2.4824 7
2.5329 9
2.871 5
2.5549 8
2.9882 7
2.7554 5
2.8351 8
9 F 3.192 6
2.5395 6
2.5611 7
2.5329 8
2.5861 9
3.0282 9
2.9385 6
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 0 0 1 5.54 11.08 0.054 211.62 2 122.7 2273.2
2 1 1 0 9.647 19.294 0.094 68.3 4 46.0 206.4
3 1 1 -1 10.915 21.831 0.106 52.88 4 115.7 1010.9
4 0 0 2 11.133 22.265 0.108 50.75 2 49.4 88.3
5 1 1 1 11.382 22.764 0.11 48.46 4 180.4 2251.3
6 2 0 0 13.51 27.021 0.131 33.8 2 236.8 1352.8
7 0 2 0 13.905 27.809 0.134 31.8 2 300.1 2044.0
8 2 0 -1 14.276 28.552 0.138 30.06 2 350.3 2632.6
9 1 1 -2 14.45 28.901 0.139 29.29 4 235.6 2320.1
10 2 0 1 15.0 30.0 0.145 27.05 2 74.2 106.3
11 0 2 1 15.009 30.018 0.145 27.01 4 239.0 2202.3
12 1 1 2 15.167 30.334 0.146 26.41 4 264.5 2637.3
13 0 0 3 16.835 33.67 0.162 21.08 2 279.2 1172.8
14 2 0 -2 17.02 34.04 0.164 20.59 2 3.6 0.2
15 0 2 2 17.955 35.909 0.172 18.32 4 148.9 579.8
16 2 0 2 18.247 36.494 0.175 17.68 2 249.3 784.4
17 1 1 -3 19.124 38.247 0.183 15.94 4 211.1 1014.4
18 2 2 0 19.582 39.163 0.187 15.13 4 264.9 1515.9
19 1 1 3 19.966 39.932 0.191 14.49 4 101.6 213.4
20 2 2 -1 20.14 40.281 0.192 14.21 4 221.0 990.9
21 2 2 1 20.682 41.364 0.197 13.4 4 64.4 79.2
22 2 0 -3 21.065 42.13 0.201 12.86 2 67.2 41.5
23 3 1 0 21.744 43.488 0.207 11.97 4 152.1 395.2
24 0 2 3 22.107 44.214 0.21 11.54 4 163.9 442.1
25 3 1 -1 22.131 44.262 0.211 11.51 4 57.0 53.3
26 2 2 -2 22.254 44.508 0.212 11.36 4 28.0 12.7
27 1 3 0 22.267 44.533 0.212 11.35 4 79.6 102.6
28 2 0 3 22.604 45.207 0.215 10.97 2 194.4 295.9
29 0 0 4 22.716 45.432 0.216 10.85 2 341.2 901.5
30 3 1 1 22.882 45.764 0.217 10.67 4 195.7 583.4
31 1 3 -1 22.895 45.79 0.217 10.66 4 147.1 329.1
32 1 3 1 23.141 46.281 0.22 10.4 4 312.7 1452.1
33 2 2 2 23.247 46.494 0.221 10.3 4 15.3 3.5
34 3 1 -2 23.986 47.971 0.227 9.59 4 296.1 1200.4
35 1 1 -4 24.428 48.856 0.231 9.2 4 8.5 1.0
36 1 3 -2 24.937 49.874 0.236 8.78 4 202.1 512.1
37 1 1 4 25.355 50.711 0.239 8.45 4 127.9 197.2
38 3 1 2 25.385 50.771 0.24 8.43 4 278.0 930.0
39 1 3 2 25.397 50.794 0.24 8.42 4 206.8 514.1
40 2 2 -3 25.617 51.235 0.242 8.26 4 289.4 986.9
41 2 0 -4 25.94 51.879 0.245 8.03 2 287.3 472.8
42 2 2 3 26.955 53.91 0.253 7.35 4 312.9 1027.9
43 0 2 4 27.054 54.108 0.254 7.29 4 281.1 822.3
44 3 1 -3 27.078 54.157 0.254 7.28 4 199.0 411.4
45 2 0 4 27.699 55.397 0.26 6.91 2 216.7 231.6
46 4 0 0 27.855 55.711 0.261 6.83 2 197.6 190.1
47 4 0 -1 28.073 56.145 0.263 6.71 2 137.7 90.7
48 1 3 -3 28.167 56.334 0.264 6.66 4 285.3 773.2
49 0 4 0 28.726 57.451 0.269 6.37 2 372.4 630.2
50 1 3 3 28.8 57.601 0.269 6.33 4 127.7 147.4
51 0 0 5 28.862 57.724 0.27 6.3 2 157.9 112.0
52 4 0 1 28.917 57.834 0.27 6.27 2 174.4 136.2
53 3 1 3 28.999 57.998 0.271 6.23 4 46.0 18.8
54 0 4 1 29.355 58.709 0.274 6.06 4 108.2 101.2
55 4 0 -2 29.55 59.101 0.276 5.97 2 218.6 203.7
56 2 2 -4 29.939 59.879 0.279 5.8 4 117.9 115.0
57 3 3 0 30.181 60.361 0.281 5.7 4 164.8 220.9
58 1 1 -5 30.222 60.443 0.281 5.68 4 213.5 369.6
59 3 3 -1 30.488 60.977 0.284 5.57 4 34.5 9.4
60 3 3 1 31.092 62.185 0.289 5.33 4 220.5 370.0
61 3 1 -4 31.165 62.331 0.289 5.3 4 116.1 102.0
62 4 0 2 31.174 62.349 0.289 5.3 2 202.1 154.6
63 0 4 2 31.195 62.389 0.29 5.29 4 29.1 6.4
64 1 1 5 31.229 62.459 0.29 5.28 4 234.5 414.6
65 2 0 -5 31.444 62.887 0.292 5.2 2 96.4 34.5
66 2 2 4 31.551 63.103 0.293 5.16 4 65.3 31.4
67 4 2 0 31.696 63.393 0.294 5.11 4 98.6 70.9
68 4 2 -1 31.897 63.794 0.295 5.04 4 342.7 844.9
69 3 3 -2 31.996 63.991 0.296 5.01 4 145.5 151.4
70 4 0 -3 32.181 64.361 0.298 4.95 2 39.7 5.6
71 2 4 0 32.302 64.605 0.299 4.9 4 149.9 157.3
72 1 3 -4 32.362 64.725 0.299 4.89 4 60.0 25.1
73 0 2 5 32.63 65.26 0.301 4.8 4 32.9 7.4
74 4 2 1 32.681 65.362 0.302 4.78 4 17.2 2.0
75 2 4 -1 32.696 65.392 0.302 4.78 4 288.4 567.4
76 2 4 1 33.084 66.169 0.305 4.66 4 134.4 120.1
77 1 3 4 33.141 66.281 0.306 4.64 4 144.3 137.9
78 3 3 2 33.166 66.332 0.306 4.63 4 158.3 165.7
79 4 2 -2 33.272 66.545 0.307 4.6 4 118.4 92.2
80 2 0 5 33.4 66.8 0.308 4.57 2 68.1 15.1
81 3 1 4 33.516 67.033 0.309 4.53 4 236.7 362.4
82 0 4 3 34.134 68.268 0.314 4.36 4 242.8 367.1
83 2 4 -2 34.245 68.49 0.315 4.33 4 50.1 15.5
84 4 0 3 34.495 68.99 0.317 4.27 2 144.9 64.0
85 3 3 -3 34.616 69.232 0.318 4.24 4 228.1 314.9
86 4 2 2 34.799 69.599 0.319 4.19 4 266.7 425.7
87 2 4 2 35.002 70.005 0.321 4.14 4 129.7 99.5
88 2 2 -5 35.054 70.108 0.321 4.13 4 175.3 181.1
89 0 0 6 35.397 70.794 0.324 4.05 2 165.9 79.6
90 4 2 -3 35.753 71.507 0.327 3.97 4 20.2 2.3
91 4 0 -4 35.833 71.665 0.327 3.96 2 127.9 46.2
92 3 1 -5 36.095 72.189 0.329 3.9 4 115.6 74.3
93 3 3 3 36.302 72.605 0.331 3.86 4 9.6 0.5
94 1 1 -6 36.531 73.062 0.333 3.81 4 221.4 266.6
95 5 1 0 36.604 73.208 0.333 3.8 4 145.6 114.8
96 5 1 -1 36.7 73.399 0.334 3.78 4 66.5 23.8
97 2 4 -3 36.881 73.761 0.335 3.74 4 148.5 117.8
98 2 2 5 36.916 73.832 0.336 3.74 4 77.2 31.8
99 1 3 -5 37.397 74.794 0.339 3.65 4 254.5 337.2
100 2 0 -6 37.557 75.115 0.341 3.62 2 53.7 7.4
101 5 1 1 37.619 75.238 0.341 3.61 4 220.1 249.4
102 1 1 6 37.635 75.27 0.341 3.61 4 181.8 170.0
103 1 5 0 37.736 75.471 0.342 3.59 4 38.5 7.6
104 5 1 -2 37.902 75.804 0.343 3.56 4 108.3 59.5
105 4 2 3 37.967 75.934 0.344 3.55 4 160.1 129.8
106 2 4 3 37.981 75.962 0.344 3.55 4 189.0 180.8
107 0 4 4 38.063 76.126 0.345 3.53 4 177.3 158.5
108 1 5 -1 38.195 76.39 0.346 3.51 4 104.1 54.3
109 3 3 -4 38.252 76.504 0.346 3.5 4 133.3 88.9
110 1 3 5 38.31 76.621 0.347 3.49 4 315.1 495.2
111 1 5 1 38.377 76.754 0.347 3.48 4 128.9 82.6
112 4 0 4 38.772 77.544 0.35 3.42 2 2.8 0.0
113 0 2 6 38.837 77.674 0.351 3.41 4 44.8 9.8
114 3 1 5 38.846 77.692 0.351 3.41 4 219.0 233.6
115 4 2 -4 39.259 78.517 0.354 3.35 4 208.9 208.8
116 5 1 2 39.715 79.43 0.357 3.29 4 121.9 69.8
117 2 0 6 39.736 79.471 0.357 3.29 2 101.9 24.4
118 1 5 -2 39.743 79.485 0.357 3.29 4 184.2 159.1
119 1 5 2 40.102 80.205 0.36 3.24 4 217.7 219.3
120 5 1 -3 40.179 80.358 0.361 3.23 4 233.5 251.5
121 3 3 4 40.419 80.839 0.362 3.2 4 208.9 199.6
122 4 0 -5 40.421 80.841 0.362 3.2 2 176.1 70.9
123 2 4 -4 40.532 81.063 0.363 3.19 4 203.0 187.6
124 2 2 -6 40.936 81.872 0.366 3.15 4 65.1 19.0
125 3 1 -6 41.839 83.679 0.373 3.05 4 307.0 410.8
126 2 4 4 41.96 83.921 0.374 3.04 4 151.3 99.4
127 4 4 0 42.09 84.181 0.375 3.03 4 170.7 126.0
128 4 2 4 42.125 84.249 0.375 3.03 4 97.3 40.9
129 4 4 -1 42.271 84.542 0.376 3.01 4 213.4 195.8
130 1 5 -3 42.35 84.7 0.377 3.01 4 166.8 119.4
131 0 0 7 42.515 85.029 0.378 2.99 2 140.0 41.8
132 3 3 -5 42.853 85.705 0.38 2.97 4 93.6 37.1
133 5 1 3 42.856 85.711 0.38 2.97 4 126.0 67.2
134 1 5 3 42.883 85.766 0.38 2.96 4 78.1 25.8
135 0 4 5 42.935 85.87 0.381 2.96 4 116.1 56.9
136 4 4 1 42.982 85.964 0.381 2.96 4 102.5 44.3
137 2 2 6 43.073 86.145 0.382 2.95 4 96.8 39.5
138 1 3 -6 43.27 86.54 0.383 2.93 4 191.9 154.1
139 5 3 0 43.34 86.681 0.384 2.93 4 71.4 21.3
140 5 3 -1 43.432 86.864 0.384 2.92 4 38.2 6.1
141 5 1 -4 43.497 86.993 0.385 2.92 4 156.0 101.4
142 1 1 -7 43.506 87.013 0.385 2.92 4 71.4 21.2
143 4 4 -2 43.523 87.045 0.385 2.92 4 186.4 144.5
144 4 2 -5 43.748 87.497 0.387 2.9 4 166.4 114.7
145 4 0 5 43.981 87.961 0.388 2.89 2 48.1 4.8
146 3 5 0 44.067 88.135 0.389 2.88 4 106.7 46.8
147 5 3 1 44.318 88.635 0.391 2.87 4 215.3 189.5
148 1 3 6 44.333 88.667 0.391 2.86 4 172.7 121.9
149 3 5 -1 44.336 88.672 0.391 2.86 4 39.2 6.3
150 2 0 -7 44.406 88.811 0.391 2.86 2 138.5 39.2
151 6 0 0 44.496 88.992 0.392 2.85 2 56.3 6.5
152 6 0 -1 44.499 88.998 0.392 2.85 2 222.9 101.2
153 5 3 -2 44.592 89.184 0.392 2.85 4 44.4 8.0
154 1 1 7 44.746 89.493 0.394 2.84 4 20.8 1.8
155 3 5 1 44.867 89.734 0.394 2.84 4 171.5 119.1
156 4 4 2 44.94 89.879 0.395 2.83 4 163.4 107.9
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 0 0 1 5.54 11.08 9.26518 2273.2 86.2 87.4 5.6
2 1 1 0 9.647 19.294 5.33765 206.4 7.8 7.9 5.6
3 1 1 -1 10.915 21.831 4.72364 1010.9 38.3 38.6 5.6
4 0 0 2 11.133 22.265 4.63259 88.3 3.3 3.4 5.6
5 1 1 1 11.382 22.764 4.53238 2251.3 85.4 85.9 5.6
6 2 0 0 13.51 27.021 3.82869 1352.8 51.3 51.4 5.6
7 0 2 0 13.905 27.809 3.72215 2044.0 77.5 77.7 5.6
8 2 0 -1 14.276 28.552 3.62726 2632.6 99.8 100.0 5.6
9 1 1 -2 14.45 28.901 3.5844 2320.1 88.0 88.1 5.6
10 0 2 1 15.009 30.018 3.45386 2308.6 87.5 87.6 5.6
11 1 1 2 15.167 30.334 3.41877 2637.3 100.0 100.0 5.6
12 0 0 3 16.835 33.67 3.08839 1172.8 44.5 44.3 5.7
13 0 2 2 17.955 35.909 2.90159 579.8 22.0 21.9 5.7
14 2 0 2 18.247 36.494 2.85669 784.4 29.7 29.6 5.7
15 1 1 -3 19.124 38.247 2.73029 1014.4 38.5 38.2 5.7
16 2 2 0 19.582 39.163 2.66883 1515.9 57.5 57.0 5.7
17 1 1 3 19.966 39.932 2.6195 213.4 8.1 8.0 5.7
18 2 2 -1 20.14 40.281 2.59776 990.9 37.6 37.2 5.7
19 2 2 1 20.682 41.364 2.53259 79.2 3.0 3.0 5.7
20 2 0 -3 21.065 42.13 2.48857 41.5 1.6 1.6 5.7
21 3 1 0 21.744 43.488 2.41447 395.2 15.0 14.8 5.7
22 0 2 3 22.107 44.214 2.37677 495.5 18.8 18.5 5.7
23 1 3 0 22.267 44.533 2.36058 115.3 4.4 4.3 5.7
24 2 0 3 22.604 45.207 2.32718 295.9 11.2 11.1 5.7
25 0 0 4 22.716 45.432 2.3163 901.5 34.2 33.7 5.7
26 3 1 1 22.882 45.764 2.30035 912.5 34.6 34.1 5.7
27 1 3 1 23.141 46.281 2.27603 1452.1 55.1 54.2 5.7
28 3 1 -2 23.986 47.971 2.20035 1200.4 45.5 44.7 5.7
29 1 3 -2 24.937 49.874 2.12146 512.1 19.4 19.0 5.7
30 1 1 4 25.355 50.711 2.08874 197.2 7.5 7.3 5.8
31 3 1 2 25.385 50.771 2.08642 1444.1 54.8 53.6 5.8
32 2 2 -3 25.617 51.235 2.06878 986.9 37.4 36.6 5.8
33 2 0 -4 25.94 51.879 2.04485 472.8 17.9 17.5 5.8
34 2 2 3 26.955 53.91 1.97324 1027.9 39.0 38.0 5.8
35 0 2 4 27.054 54.108 1.9666 1233.8 46.8 45.6 5.8
36 2 0 4 27.699 55.397 1.92431 231.6 8.8 8.5 5.8
37 4 0 0 27.855 55.711 1.91434 190.1 7.2 7.0 5.8
38 4 0 -1 28.073 56.145 1.90072 90.7 3.4 3.3 5.8
39 1 3 -3 28.167 56.334 1.89488 773.2 29.3 28.5 5.8
40 0 4 0 28.726 57.451 1.86108 630.2 23.9 23.2 5.8
41 1 3 3 28.8 57.601 1.85666 147.4 5.6 5.4 5.8
42 0 0 5 28.862 57.724 1.85304 112.0 4.2 4.1 5.8
43 4 0 1 28.917 57.834 1.8498 136.2 5.2 5.0 5.8
44 0 4 1 29.355 58.709 1.82463 101.2 3.8 3.7 5.8
45 4 0 -2 29.55 59.101 1.81363 203.7 7.7 7.5 5.8
46 2 2 -4 29.939 59.879 1.7922 115.0 4.4 4.2 5.8
47 3 3 0 30.181 60.361 1.77922 220.9 8.4 8.1 5.8
48 1 1 -5 30.222 60.443 1.77703 369.6 14.0 13.5 5.8
49 3 3 1 31.092 62.185 1.73204 370.0 14.0 13.5 5.8
50 4 0 2 31.174 62.349 1.72795 263.0 10.0 9.6 5.8
51 1 1 5 31.229 62.459 1.72521 414.6 15.7 15.2 5.8
52 2 0 -5 31.444 62.887 1.71465 34.5 1.3 1.3 5.9
53 2 2 4 31.551 63.103 1.70939 31.4 1.2 1.1 5.9
54 4 2 0 31.696 63.393 1.70238 70.9 2.7 2.6 5.9
55 4 2 -1 31.897 63.794 1.69278 844.9 32.0 30.8 5.9
56 3 3 -2 31.996 63.991 1.68813 151.4 5.7 5.5 5.9
57 2 4 0 32.302 64.605 1.67381 157.3 6.0 5.7 5.9
58 2 4 -1 32.696 65.392 1.65584 569.4 21.6 20.7 5.9
59 2 4 1 33.084 66.169 1.63858 120.1 4.6 4.4 5.9
60 3 3 2 33.166 66.332 1.63501 303.6 11.5 11.0 5.9
61 4 2 -2 33.272 66.545 1.63039 92.2 3.5 3.3 5.9
62 3 1 4 33.516 67.033 1.61988 362.4 13.7 13.1 5.9
63 0 4 3 34.134 68.268 1.59403 367.1 13.9 13.3 5.9
64 4 0 3 34.495 68.99 1.57939 64.0 2.4 2.3 5.9
65 3 3 -3 34.616 69.232 1.57455 314.9 11.9 11.4 5.9
66 4 2 2 34.799 69.599 1.5673 425.7 16.1 15.4 5.9
67 2 4 2 35.002 70.005 1.55935 99.5 3.8 3.6 5.9
68 2 2 -5 35.054 70.108 1.55735 181.1 6.9 6.5 5.9
69 0 0 6 35.397 70.794 1.5442 79.6 3.0 2.9 5.9
70 4 0 -4 35.833 71.665 1.5279 46.2 1.8 1.7 5.9
71 3 1 -5 36.095 72.189 1.5183 74.3 2.8 2.7 5.9
72 1 1 -6 36.531 73.062 1.50265 266.6 10.1 9.6 6.0
73 5 1 0 36.604 73.208 1.50006 114.8 4.4 4.1 6.0
74 2 4 -3 36.881 73.761 1.4904 117.8 4.5 4.2 6.0
75 2 2 5 36.916 73.832 1.48916 31.8 1.2 1.1 6.0
76 1 3 -5 37.397 74.794 1.47277 337.2 12.8 12.1 6.0
77 5 1 1 37.619 75.238 1.46535 419.4 15.9 15.0 6.0
78 5 1 -2 37.902 75.804 1.45603 59.5 2.3 2.1 6.0
79 2 4 3 37.981 75.962 1.45346 310.6 11.8 11.1 6.0
80 0 4 4 38.063 76.126 1.4508 158.5 6.0 5.7 6.0
81 1 5 -1 38.195 76.39 1.44655 54.3 2.1 1.9 6.0
82 3 3 -4 38.252 76.504 1.44472 88.9 3.4 3.2 6.0
83 1 3 5 38.31 76.621 1.44286 495.2 18.8 17.6 6.0
84 1 5 1 38.377 76.754 1.44074 82.6 3.1 2.9 6.0
85 3 1 5 38.846 77.692 1.42606 243.4 9.2 8.6 6.0
86 4 2 -4 39.259 78.517 1.41345 208.8 7.9 7.4 6.0
87 1 5 -2 39.743 79.485 1.39903 253.3 9.6 9.0 6.0
88 1 5 2 40.102 80.205 1.38858 219.3 8.3 7.8 6.0
89 5 1 -3 40.179 80.358 1.38637 251.5 9.5 8.9 6.0
90 3 3 4 40.419 80.839 1.37954 270.5 10.3 9.5 6.1
91 2 4 -4 40.532 81.063 1.37637 187.6 7.1 6.6 6.1
92 3 1 -6 41.839 83.679 1.34093 410.8 15.6 14.4 6.1
93 2 4 4 41.96 83.921 1.33778 99.4 3.8 3.5 6.1
94 4 4 0 42.09 84.181 1.33441 126.0 4.8 4.4 6.1
95 4 2 4 42.125 84.249 1.33353 40.9 1.6 1.4 6.1
96 4 4 -1 42.271 84.542 1.32977 195.8 7.4 6.9 6.1
97 1 5 -3 42.35 84.7 1.32777 119.4 4.5 4.2 6.1
98 0 0 7 42.515 85.029 1.3236 41.8 1.6 1.5 6.1
99 5 1 3 42.856 85.711 1.31509 130.0 4.9 4.5 6.1
100 0 4 5 42.935 85.87 1.31313 56.9 2.2 2.0 6.1
101 4 4 1 42.982 85.964 1.31198 44.3 1.7 1.5 6.1
102 2 2 6 43.073 86.145 1.30975 39.5 1.5 1.4 6.1
103 1 3 -6 43.27 86.54 1.30495 154.1 5.8 5.4 6.1
104 4 4 -2 43.523 87.045 1.29888 267.2 10.1 9.3 6.1
105 4 2 -5 43.748 87.497 1.29352 114.7 4.3 4.0 6.2
106 3 5 0 44.067 88.135 1.28606 46.8 1.8 1.6 6.2
107 5 3 1 44.318 88.635 1.28029 317.6 12.0 11.0 6.2
108 2 0 -7 44.406 88.811 1.27829 39.2 1.5 1.4 6.2
109 6 0 -1 44.499 88.998 1.27616 107.7 4.1 3.7 6.2
110 3 5 1 44.867 89.734 1.2679 119.1 4.5 4.1 6.2
111 4 4 2 44.94 89.879 1.26629 107.9 4.1 3.7 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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