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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CROCOITE
4, at 1073'K
PbCrO(4)
Orthorhombic P nma Z = 4
Pnma
30 .1 .1904
Ref.Str.:
K.S. Knight (2000)
* Mineral. Mag., 64, 291-300
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.7986 alpha = 90.0
b = 5.7342 beta = 90.0
c = 7.274 gamma = 90.0
Unit cell volume (cub. angs.) = 366.99
Molar volume ( cub.cm/mol.) = 55.26
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1817 0.25 0.1641 0.0 Pb = 1.00
2 0.0592 0.25 0.6824 0.0 Cr = 1.00
3 0.1882 0.25 0.5338 0.0 O = 1.00
4 0.8897 0.25 0.5974 0.0 O = 1.00
5 0.0772 0.015 0.8121 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1817 0.25 0.1641
2 2 0.0592 0.25 0.6824
3 3 0.1882 0.25 0.5338
4 4 0.8897 0.25 0.5974
5 5 0.0772 0.015 0.8121
6 1 0.3183 0.75 0.6641
7 2 0.4408 0.75 0.1824
8 3 0.3118 0.75 0.0338
9 4 0.6103 0.75 0.0974
10 5 0.4228 0.985 0.3121
11 5 0.4228 0.515 0.3121
12 5 0.0772 0.485 0.8121
13 1 0.6817 0.25 0.3359
14 2 0.5592 0.25 0.8176
15 3 0.6882 0.25 0.9662
16 4 0.3897 0.25 0.9026
17 5 0.5772 0.015 0.6879
18 1 0.8183 0.75 0.8359
19 2 0.9408 0.75 0.3176
20 3 0.8118 0.75 0.4662
21 4 0.1103 0.75 0.4026
22 5 0.9228 0.985 0.1879
23 5 0.9228 0.515 0.1879
24 5 0.5772 0.485 0.6879
X-ray density (g/cm cub.) = 5.85
MU (1/cm) = 1127.646 Mass attenuation coefficient (cm**2/g) = 192.843
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.144 8
2.6898 3
3.036 5
2.8228 5
2.8228 5
3.036 5
2.6396 4
2.7437 5
2.7437 5
2 Cr 2.628 4
1.5674 3
1.6144 4
1.6526 5
1.6526 5
3 O 3.264 8
2.6668 4
2.6206 5
3.0283 5
3.0283 5
2.6206 5
3.2156 4
3.0985 4
3.0985 4
4 O 3.264 8
2.6668 3
2.6413 5
2.6413 5
3.2156 3
3.132 5
3.0985 3
3.0985 3
3.132 5
5 O 3.264 7
2.6206 3
2.6413 4
3.0283 3
2.6951 5
3.0391 5
3.132 4
3.0574 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 7.897 15.795 0.089 103.0 4 19.5 116.2
2 0 1 1 9.849 19.698 0.111 65.44 4 142.4 3939.7
3 2 0 0 10.084 20.168 0.114 62.32 2 108.5 1090.0
4 1 1 1 11.078 22.157 0.125 51.27 8 110.5 3721.5
5 2 0 1 11.807 23.615 0.133 44.88 4 101.8 1381.8
6 0 0 2 12.227 24.455 0.137 41.71 2 190.2 2241.4
7 2 1 0 12.749 25.499 0.143 38.2 4 261.3 7748.2
8 1 0 2 13.248 26.497 0.149 35.23 4 220.1 5067.2
9 2 1 1 14.169 28.337 0.159 30.55 8 206.7 7751.5
10 1 1 2 15.405 30.81 0.172 25.54 8 170.5 4409.7
11 0 2 0 15.585 31.169 0.174 24.91 2 344.3 4386.1
12 2 0 2 15.95 31.9 0.178 23.7 4 11.7 9.7
13 3 0 1 16.45 32.9 0.184 22.17 4 111.0 810.9
14 1 2 1 17.563 35.126 0.196 19.22 8 10.6 12.7
15 2 1 2 17.811 35.621 0.199 18.65 8 120.7 1613.9
16 3 1 1 18.266 36.532 0.203 17.64 8 37.4 146.5
17 2 2 0 18.704 37.408 0.208 16.74 4 151.3 1138.3
18 1 0 3 19.24 38.48 0.214 15.73 4 80.5 302.7
19 3 0 2 19.718 39.436 0.219 14.9 4 66.2 193.7
20 2 2 1 19.738 39.475 0.219 14.87 8 161.9 2315.2
21 0 2 2 20.005 40.01 0.222 14.43 4 108.5 504.9
22 0 1 3 20.177 40.354 0.224 14.16 4 1.0 0.0
23 4 0 0 20.499 40.997 0.227 13.67 2 64.8 85.2
24 1 2 2 20.679 41.357 0.229 13.4 8 227.6 4123.0
25 1 1 3 20.846 41.692 0.231 13.16 8 222.9 3883.1
26 2 0 3 21.269 42.537 0.235 12.58 4 46.4 80.3
27 3 1 2 21.294 42.588 0.236 12.55 8 204.5 3117.2
28 4 0 1 21.46 42.919 0.237 12.33 4 297.2 3236.2
29 4 1 0 22.028 44.057 0.243 11.63 4 199.6 1375.8
30 2 2 2 22.601 45.201 0.249 10.98 8 47.0 143.7
31 2 1 3 22.756 45.513 0.251 10.81 8 12.0 9.3
32 4 1 1 22.937 45.875 0.253 10.61 8 23.7 35.3
33 3 2 1 22.976 45.952 0.253 10.57 8 108.0 732.1
34 4 0 2 24.158 48.315 0.266 9.44 4 16.8 7.9
35 3 0 3 24.343 48.685 0.268 9.28 4 261.9 1889.8
36 0 3 1 24.625 49.249 0.27 9.04 4 140.7 531.6
37 0 0 4 25.061 50.122 0.275 8.68 2 140.2 253.4
38 1 2 3 25.161 50.322 0.276 8.6 8 15.4 12.0
39 1 3 1 25.199 50.399 0.276 8.57 8 91.9 430.1
40 4 1 2 25.514 51.028 0.28 8.33 8 48.0 114.2
41 3 2 2 25.55 51.099 0.28 8.31 8 9.1 4.1
42 1 0 4 25.628 51.257 0.281 8.25 4 177.6 772.9
43 3 1 3 25.692 51.383 0.281 8.2 8 116.7 664.1
44 2 3 0 26.065 52.129 0.285 7.94 4 204.4 985.1
45 4 2 0 26.191 52.383 0.286 7.85 4 32.2 24.2
46 5 0 1 26.767 53.533 0.292 7.47 4 94.4 197.6
47 2 2 3 26.833 53.667 0.293 7.43 8 18.7 15.4
48 2 3 1 26.87 53.74 0.293 7.41 8 163.6 1178.1
49 1 1 4 26.931 53.861 0.294 7.37 8 119.2 621.8
50 4 2 1 26.994 53.988 0.295 7.33 8 213.8 1990.1
51 2 0 4 27.28 54.56 0.298 7.16 4 67.3 96.3
52 1 3 2 27.619 55.239 0.301 6.96 8 145.3 872.2
53 5 1 1 28.032 56.064 0.305 6.73 8 84.2 283.5
54 4 0 3 28.217 56.434 0.307 6.63 4 33.3 21.8
55 2 1 4 28.53 57.06 0.31 6.46 8 80.0 245.5
56 5 0 2 29.096 58.192 0.316 6.18 4 77.9 111.6
57 2 3 2 29.194 58.388 0.317 6.14 8 95.4 332.0
58 4 2 2 29.311 58.622 0.318 6.08 8 0.5 0.0
59 4 1 3 29.441 58.882 0.319 6.02 8 13.3 6.3
60 3 2 3 29.473 58.947 0.319 6.01 8 250.0 2230.4
61 3 3 1 29.508 59.015 0.32 5.99 8 39.2 54.7
62 3 0 4 29.894 59.788 0.324 5.82 4 18.4 5.9
63 0 2 4 30.106 60.211 0.326 5.73 4 131.6 294.4
64 5 1 2 30.297 60.594 0.327 5.65 8 144.6 701.8
65 1 2 4 30.609 61.218 0.331 5.52 8 195.4 1252.2
66 0 3 3 30.874 61.748 0.333 5.42 4 0.3 0.0
67 3 1 4 31.076 62.153 0.335 5.34 8 135.5 582.0
68 1 3 3 31.37 62.741 0.338 5.23 8 188.0 1097.5
69 5 2 1 31.628 63.256 0.34 5.14 8 106.0 342.8
70 6 0 0 31.687 63.373 0.341 5.11 2 122.9 114.8
71 3 3 2 31.707 63.415 0.341 5.11 8 176.5 945.5
72 2 2 4 32.092 64.184 0.345 4.97 8 64.0 121.0
73 4 3 0 32.268 64.536 0.347 4.92 4 185.6 502.8
74 6 0 1 32.401 64.802 0.348 4.87 4 44.8 29.1
75 1 0 5 32.457 64.914 0.348 4.85 4 27.2 10.7
76 0 4 0 32.502 65.003 0.349 4.84 2 322.7 748.4
77 5 0 3 32.742 65.484 0.351 4.76 4 188.0 500.0
78 6 1 0 32.832 65.664 0.352 4.74 4 179.4 452.8
79 2 3 3 32.834 65.667 0.352 4.74 8 6.5 1.2
80 4 2 3 32.943 65.887 0.353 4.7 8 8.5 2.0
81 4 3 1 32.976 65.951 0.353 4.69 8 25.7 18.4
82 0 1 5 33.11 66.22 0.355 4.65 4 176.5 430.1
83 4 0 4 33.339 66.678 0.357 4.58 4 26.5 9.6
84 6 1 1 33.533 67.067 0.359 4.53 8 187.0 940.2
85 1 1 5 33.588 67.176 0.359 4.51 8 52.2 73.0
86 1 4 1 33.684 67.368 0.36 4.49 8 19.8 10.5
87 5 2 2 33.749 67.498 0.361 4.47 8 48.8 63.2
88 5 1 3 33.869 67.738 0.362 4.43 8 165.9 724.9
89 2 0 5 33.895 67.79 0.362 4.43 4 124.2 202.8
90 2 4 0 34.411 68.823 0.367 4.29 4 91.6 106.9
91 4 1 4 34.456 68.911 0.367 4.28 8 103.0 269.8
92 3 2 4 34.485 68.971 0.368 4.27 8 35.2 31.4
93 6 0 2 34.497 68.994 0.368 4.27 4 37.6 17.9
94 2 1 5 35.003 70.007 0.372 4.14 8 151.0 561.5
95 4 3 2 35.055 70.109 0.373 4.13 8 54.4 72.6
96 2 4 1 35.097 70.195 0.373 4.12 8 89.9 197.7
97 3 3 3 35.202 70.404 0.374 4.1 8 109.6 292.4
98 0 4 2 35.279 70.558 0.375 4.08 4 132.2 211.9
99 6 1 2 35.597 71.193 0.378 4.01 8 66.7 105.8
100 1 4 2 35.743 71.486 0.379 3.97 8 168.1 666.8
101 6 2 0 36.157 72.313 0.383 3.89 4 168.6 328.3
102 3 0 5 36.23 72.461 0.384 3.87 4 100.7 116.6
103 1 3 4 36.24 72.481 0.384 3.87 8 113.5 296.1
104 6 2 1 36.828 73.657 0.389 3.75 8 55.1 67.7
105 1 2 5 36.881 73.762 0.39 3.74 8 16.0 5.7
106 2 4 2 37.122 74.244 0.392 3.7 8 21.8 10.4
107 5 2 3 37.151 74.301 0.392 3.69 8 212.7 992.2
108 5 3 1 37.181 74.362 0.392 3.69 8 76.6 128.4
109 3 1 5 37.309 74.617 0.393 3.66 8 68.1 100.8
110 3 4 1 37.4 74.8 0.394 3.65 8 91.4 180.8
111 5 0 4 37.526 75.052 0.395 3.62 4 60.1 38.9
112 2 3 4 37.612 75.224 0.396 3.61 8 73.8 116.7
113 4 2 4 37.715 75.431 0.397 3.59 8 24.8 13.1
114 6 0 3 37.87 75.74 0.398 3.57 4 3.2 0.1
115 2 2 5 38.244 76.489 0.402 3.5 8 133.3 369.8
116 4 3 3 38.408 76.815 0.403 3.48 8 11.5 2.7
117 7 0 1 38.455 76.91 0.404 3.47 4 2.4 0.1
118 5 1 4 38.591 77.182 0.405 3.45 8 126.0 325.6
119 6 2 2 38.818 77.637 0.407 3.42 8 70.6 101.1
120 6 1 3 38.932 77.864 0.408 3.4 8 0.2 0.0
121 1 4 3 39.074 78.148 0.409 3.38 8 59.1 70.2
122 5 3 2 39.165 78.33 0.41 3.37 8 126.7 320.7
123 3 4 2 39.381 78.761 0.412 3.34 8 43.7 37.9
124 4 0 5 39.405 78.81 0.412 3.33 4 220.1 479.3
125 0 0 6 39.447 78.895 0.412 3.33 2 245.3 297.3
126 7 1 1 39.512 79.025 0.413 3.32 8 70.0 96.7
127 3 3 4 39.862 79.724 0.416 3.27 8 123.9 298.2
128 4 4 0 39.893 79.787 0.416 3.27 4 43.2 18.1
129 1 0 6 39.894 79.789 0.416 3.27 4 1.4 0.0
130 2 4 3 40.414 80.828 0.421 3.2 8 29.4 16.5
131 7 0 2 40.42 80.84 0.421 3.2 4 207.5 409.8
132 4 1 5 40.456 80.911 0.421 3.2 8 28.0 14.9
133 3 2 5 40.484 80.967 0.421 3.2 8 100.5 191.8
134 4 4 1 40.545 81.09 0.422 3.19 8 221.3 927.5
135 1 1 6 40.942 81.883 0.425 3.14 8 14.6 4.0
136 2 0 6 41.228 82.455 0.428 3.11 4 93.0 80.0
137 6 3 0 41.457 82.914 0.43 3.09 4 156.1 223.7
138 7 1 2 41.464 82.929 0.43 3.09 8 51.9 49.4
139 0 3 5 41.712 83.425 0.432 3.07 4 162.9 241.6
140 5 2 4 41.739 83.478 0.432 3.06 8 28.4 14.7
141 6 2 3 42.074 84.147 0.435 3.03 8 0.5 0.0
142 6 3 1 42.103 84.207 0.435 3.03 8 160.2 461.8
143 1 3 5 42.154 84.308 0.436 3.02 8 45.8 37.7
144 2 1 6 42.268 84.537 0.437 3.01 8 182.3 595.3
145 5 3 3 42.414 84.829 0.438 3.0 8 153.0 417.2
146 6 0 4 42.437 84.875 0.438 3.0 4 76.5 52.2
147 4 4 2 42.487 84.974 0.438 3.0 8 12.6 2.8
148 3 4 3 42.626 85.253 0.44 2.98 8 206.2 753.5
149 7 2 1 42.645 85.29 0.44 2.98 8 13.6 3.3
150 0 5 1 42.84 85.68 0.441 2.97 4 104.4 96.1
151 4 3 4 42.961 85.923 0.442 2.96 8 94.3 156.1
152 0 4 4 43.173 86.346 0.444 2.94 4 111.8 109.2
153 1 5 1 43.28 86.56 0.445 2.93 8 79.4 109.8
154 5 0 5 43.392 86.784 0.446 2.93 4 48.5 20.4
155 3 0 6 43.434 86.867 0.446 2.92 4 12.7 1.4
156 6 1 4 43.474 86.948 0.447 2.92 8 62.6 68.0
157 2 3 5 43.475 86.951 0.447 2.92 8 134.0 311.5
158 4 2 5 43.576 87.151 0.447 2.91 8 194.3 652.9
159 1 4 4 43.613 87.226 0.448 2.91 8 146.2 369.6
160 0 2 6 43.617 87.234 0.448 2.91 4 203.6 358.1
161 7 0 3 43.651 87.303 0.448 2.91 4 12.6 1.4
162 2 5 0 43.956 87.911 0.451 2.89 4 177.1 268.9
163 6 3 2 44.036 88.071 0.451 2.88 8 59.4 60.4
164 1 2 6 44.057 88.113 0.451 2.88 8 12.4 2.6
165 5 1 5 44.427 88.853 0.454 2.86 8 72.9 90.2
166 8 0 0 44.456 88.913 0.455 2.86 2 240.7 245.8
167 3 1 6 44.468 88.936 0.455 2.86 8 21.2 7.6
168 5 4 1 44.515 89.03 0.455 2.85 8 78.7 104.9
169 7 2 2 44.575 89.15 0.456 2.85 8 190.1 611.8
170 2 5 1 44.598 89.197 0.456 2.85 8 138.5 324.9
171 7 1 3 44.686 89.372 0.456 2.84 8 167.7 475.5
172 2 4 4 44.931 89.862 0.458 2.83 8 57.1 54.8
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 0 1 7.897 15.795 5.60623 116.2 1.5 1.5 5.6
2 0 1 1 9.849 19.698 4.50321 3939.7 50.8 51.2 5.6
3 2 0 0 10.084 20.168 4.3993 1090.0 14.1 14.1 5.6
4 1 1 1 11.078 22.157 4.00868 3721.5 48.0 48.2 5.6
5 2 0 1 11.807 23.615 3.76438 1381.8 17.8 17.9 5.6
6 0 0 2 12.227 24.455 3.637 2241.4 28.9 29.0 5.6
7 2 1 0 12.749 25.499 3.49041 7748.2 100.0 100.2 5.6
8 1 0 2 13.248 26.497 3.36116 5067.2 65.4 65.5 5.6
9 2 1 1 14.169 28.337 3.14687 7751.5 100.0 100.0 5.6
10 1 1 2 15.405 30.81 2.89973 4409.7 56.9 56.8 5.6
11 0 2 0 15.585 31.169 2.8671 4386.1 56.6 56.5 5.6
12 3 0 1 16.45 32.9 2.72009 810.9 10.5 10.4 5.6
13 2 1 2 17.811 35.621 2.51832 1613.9 20.8 20.7 5.7
14 3 1 1 18.266 36.532 2.4576 146.5 1.9 1.9 5.7
15 2 2 0 18.704 37.408 2.40201 1138.3 14.7 14.6 5.7
16 1 0 3 19.24 38.48 2.33753 302.7 3.9 3.9 5.7
17 2 2 1 19.738 39.475 2.28087 2508.9 32.4 32.0 5.7
18 0 2 2 20.005 40.01 2.25161 504.9 6.5 6.4 5.7
19 4 0 0 20.499 40.997 2.19965 85.2 1.1 1.1 5.7
20 1 2 2 20.679 41.357 2.18131 4123.0 53.2 52.6 5.7
21 1 1 3 20.846 41.692 2.16459 3883.1 50.1 49.5 5.7
22 3 1 2 21.294 42.588 2.12111 3197.5 41.3 40.7 5.7
23 4 0 1 21.46 42.919 2.10549 3236.2 41.7 41.2 5.7
24 4 1 0 22.028 44.057 2.05373 1375.8 17.7 17.5 5.7
25 2 2 2 22.601 45.201 2.00434 143.7 1.9 1.8 5.7
26 3 2 1 22.976 45.952 1.97332 732.1 9.4 9.3 5.7
27 3 0 3 24.343 48.685 1.86874 1889.8 24.4 23.9 5.7
28 0 3 1 24.625 49.249 1.84864 531.6 6.9 6.7 5.7
29 0 0 4 25.061 50.122 1.8185 253.4 3.3 3.2 5.7
30 1 3 1 25.199 50.399 1.80914 430.1 5.5 5.4 5.8
31 4 1 2 25.514 51.028 1.78832 114.2 1.5 1.4 5.8
32 1 0 4 25.628 51.257 1.78086 772.9 10.0 9.7 5.8
33 3 1 3 25.692 51.383 1.77677 664.1 8.6 8.4 5.8
34 2 3 0 26.065 52.129 1.75308 985.1 12.7 12.4 5.8
35 5 0 1 26.767 53.533 1.71038 197.6 2.5 2.5 5.8
36 2 3 1 26.87 53.74 1.70429 1178.1 15.2 14.8 5.8
37 1 1 4 26.931 53.861 1.70073 621.8 8.0 7.8 5.8
38 4 2 1 26.994 53.988 1.69704 1990.1 25.7 25.0 5.8
39 2 0 4 27.28 54.56 1.68058 96.3 1.2 1.2 5.8
40 1 3 2 27.619 55.239 1.66153 872.2 11.3 10.9 5.8
41 5 1 1 28.032 56.064 1.63902 283.5 3.7 3.6 5.8
42 2 1 4 28.53 57.06 1.61274 245.5 3.2 3.1 5.8
43 5 0 2 29.096 58.192 1.58405 111.6 1.4 1.4 5.8
44 2 3 2 29.194 58.388 1.5792 332.0 4.3 4.1 5.8
45 3 2 3 29.473 58.947 1.56555 2230.4 28.8 27.8 5.8
46 0 2 4 30.106 60.211 1.53566 294.4 3.8 3.7 5.8
47 5 1 2 30.297 60.594 1.52686 701.8 9.1 8.7 5.8
48 1 2 4 30.609 61.218 1.51279 1252.2 16.2 15.6 5.8
49 3 1 4 31.076 62.153 1.49227 582.0 7.5 7.2 5.8
50 1 3 3 31.37 62.741 1.47969 1097.5 14.2 13.6 5.9
51 5 2 1 31.628 63.256 1.46887 342.8 4.4 4.3 5.9
52 3 3 2 31.707 63.415 1.46558 1060.3 13.7 13.1 5.9
53 2 2 4 32.092 64.184 1.44986 121.0 1.6 1.5 5.9
54 4 3 0 32.268 64.536 1.44279 502.8 6.5 6.2 5.9
55 0 4 0 32.502 65.003 1.43355 748.4 9.7 9.3 5.9
56 5 0 3 32.742 65.484 1.42417 500.0 6.4 6.2 5.9
57 6 1 0 32.832 65.664 1.42071 454.0 5.9 5.6 5.9
58 0 1 5 33.11 66.22 1.41013 430.1 5.5 5.3 5.9
59 6 1 1 33.533 67.067 1.39436 940.2 12.1 11.6 5.9
60 5 1 3 33.869 67.738 1.38218 927.6 12.0 11.4 5.9
61 2 4 0 34.411 68.823 1.36301 106.9 1.4 1.3 5.9
62 4 1 4 34.456 68.911 1.36148 269.8 3.5 3.3 5.9
63 2 1 5 35.003 70.007 1.34283 561.5 7.2 6.9 5.9
64 2 4 1 35.097 70.195 1.33969 197.7 2.6 2.4 5.9
65 3 3 3 35.202 70.404 1.33623 292.4 3.8 3.6 5.9
66 0 4 2 35.279 70.558 1.33369 211.9 2.7 2.6 5.9
67 6 1 2 35.597 71.193 1.32333 105.8 1.4 1.3 5.9
68 1 4 2 35.743 71.486 1.31863 666.8 8.6 8.2 5.9
69 6 2 0 36.157 72.313 1.30557 328.3 4.2 4.0 5.9
70 1 3 4 36.24 72.481 1.30297 412.7 5.3 5.0 5.9
71 5 2 3 37.151 74.301 1.27548 1002.7 12.9 12.2 6.0
72 5 3 1 37.181 74.362 1.27459 128.4 1.7 1.6 6.0
73 3 1 5 37.309 74.617 1.27086 100.8 1.3 1.2 6.0
74 3 4 1 37.4 74.8 1.2682 180.8 2.3 2.2 6.0
75 2 3 4 37.612 75.224 1.26211 116.7 1.5 1.4 6.0
76 2 2 5 38.244 76.489 1.24436 369.8 4.8 4.5 6.0
77 5 1 4 38.591 77.182 1.23491 325.6 4.2 3.9 6.0
78 6 2 2 38.818 77.637 1.2288 101.1 1.3 1.2 6.0
79 5 3 2 39.165 78.33 1.21965 320.7 4.1 3.9 6.0
80 4 0 5 39.405 78.81 1.21342 517.2 6.7 6.2 6.0
81 0 0 6 39.447 78.895 1.21233 297.3 3.8 3.6 6.0
82 7 1 1 39.512 79.025 1.21067 96.7 1.2 1.2 6.0
83 3 3 4 39.862 79.724 1.2018 298.2 3.8 3.6 6.0
84 7 0 2 40.42 80.84 1.188 426.3 5.5 5.1 6.1
85 3 2 5 40.484 80.967 1.18645 206.7 2.7 2.5 6.1
86 4 4 1 40.545 81.09 1.18496 927.5 12.0 11.1 6.1
87 2 0 6 41.228 82.455 1.16877 80.0 1.0 1.0 6.1
88 6 3 0 41.457 82.914 1.16347 273.1 3.5 3.3 6.1
89 0 3 5 41.712 83.425 1.15763 256.3 3.3 3.1 6.1
90 6 3 1 42.103 84.207 1.14887 461.8 6.0 5.5 6.1
91 2 1 6 42.268 84.537 1.14522 595.3 7.7 7.1 6.1
92 5 3 3 42.414 84.829 1.14202 469.4 6.1 5.6 6.1
93 3 4 3 42.626 85.253 1.13743 756.8 9.8 9.0 6.1
94 0 5 1 42.84 85.68 1.13285 96.1 1.2 1.1 6.1
95 4 3 4 42.961 85.923 1.13026 156.1 2.0 1.8 6.1
96 0 4 4 43.173 86.346 1.1258 109.2 1.4 1.3 6.1
97 1 5 1 43.28 86.56 1.12357 109.8 1.4 1.3 6.1
98 2 3 5 43.475 86.951 1.11952 379.5 4.9 4.5 6.1
99 4 2 5 43.576 87.151 1.11746 652.9 8.4 7.7 6.2
100 1 4 4 43.613 87.226 1.1167 727.6 9.4 8.6 6.2
101 2 5 0 43.956 87.911 1.10975 268.9 3.5 3.2 6.2
102 8 0 0 44.456 88.913 1.09983 343.6 4.4 4.0 6.2
103 5 4 1 44.515 89.03 1.09868 104.9 1.4 1.2 6.2
104 7 2 2 44.575 89.15 1.09751 936.7 12.1 11.0 6.2
105 7 1 3 44.686 89.372 1.09536 475.5 6.1 5.6 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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