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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PAULKELLERITE
1
Bi(2)Fe'''[PO(4)]O(2)(OH)(2)
Monoclinic C 2/c Z = 4
R =0.034 NR =858
3 .10 .1989
Ref.Str.:
J.D. Grice, L.A. Groat (1988)
* Amer. Mineral., 73, 873-875
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.38 alpha = 90.0
b = 6.66 beta = 115.34
c = 9.653 gamma = 90.0
Unit cell volume (cub. angs.) = 661.22
Molar volume ( cub.cm/mol.) = 99.57
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2339 0.0377 0.0877 0.01 Bi = 1.00
2 0.5 0.0 0.5 0.0 Fe = 1.00
3 0.0 0.1719 0.25 0.0 P = 1.00
4 0.1046 0.0416 0.2386 0.01 O = 1.00
5 0.4346 0.1929 0.6078 0.01 O = 1.00
6 0.3512 0.1726 0.982 0.01 O = 1.00
7 0.3806 0.141 0.3015 0.02 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2339 0.0377 0.0877
2 2 0.5 0.0 0.5
3 3 0.0 0.1719 0.25
4 4 0.1046 0.0416 0.2386
5 5 0.4346 0.1929 0.6078
6 6 0.3512 0.1726 0.982
7 7 0.3806 0.141 0.3015
8 1 0.7661 0.9623 0.9123
9 3 0.0 0.8281 0.75
10 4 0.8954 0.9584 0.7614
11 5 0.5654 0.8071 0.3922
12 6 0.6488 0.8274 0.018
13 7 0.6194 0.859 0.6985
14 1 0.2339 0.9623 0.5877
15 2 0.5 0.0 0.0
16 4 0.1046 0.9584 0.7386
17 5 0.4346 0.8071 0.1078
18 6 0.3512 0.8274 0.482
19 7 0.3806 0.859 0.8015
20 1 0.7661 0.0377 0.4123
21 4 0.8954 0.0416 0.2614
22 5 0.5654 0.1929 0.8922
23 6 0.6488 0.1726 0.518
24 7 0.6194 0.141 0.1985
25 1 0.7339 0.4623 0.5877
26 2 0.0 0.5 0.0
27 3 0.5 0.3281 0.75
28 4 0.6046 0.4584 0.7386
29 5 0.9346 0.3071 0.1078
30 6 0.8512 0.3274 0.482
31 7 0.8806 0.359 0.8015
32 1 0.2661 0.5377 0.4123
33 3 0.5 0.6719 0.25
34 4 0.3954 0.5416 0.2614
35 5 0.0654 0.6929 0.8922
36 6 0.1488 0.6726 0.518
37 7 0.1194 0.641 0.1985
38 1 0.7339 0.5377 0.0877
39 2 0.0 0.5 0.5
40 4 0.6046 0.5416 0.2386
41 5 0.9346 0.6929 0.6078
42 6 0.8512 0.6726 0.982
43 7 0.8806 0.641 0.3015
44 1 0.2661 0.4623 0.9123
45 4 0.3954 0.4584 0.7614
46 5 0.0654 0.3071 0.3922
47 6 0.1488 0.3274 0.018
48 7 0.1194 0.359 0.6985
X-ray density (g/cm cub.) = 6.35
MU (1/cm) = 1540.179 Mass attenuation coefficient (cm**2/g) = 242.381
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.072 6
2.4742 4
2.1902 6
2.1378 7
2.6895 5
3.0682 5
2.1345 6
2 Fe 2.592 6
1.9875 5
2.0423 7
1.9875 5
2.0423 7
1.9918 6
1.9918 6
3 P 2.232 4
1.5147 4
1.5147 4
1.5409 5
1.5409 5
4 O 3.264 7
3.0066 7
3.1284 6
2.4829 4
2.5244 5
2.7115 7
2.4678 5
3.0541 6
5 O 3.264 8
2.772 7
2.9255 7
2.7045 6
3.1309 7
2.5009 5
2.9189 6
2.5244 4
2.4678 4
6 O 3.264 9
2.9639 7
3.1284 4
2.7045 5
2.83 7
2.9189 5
2.8753 7
3.0541 4
2.6784 6
3.132 7
7 O 3.264 9
3.0066 4
2.772 5
2.9639 6
2.9255 5
3.1309 5
2.83 6
2.8753 6
2.7115 4
3.132 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 1 1 0 9.207 18.414 0.089 75.19 4 26.2 47.3
2 1 1 -1 9.716 19.431 0.094 67.3 4 70.4 304.9
3 2 0 0 10.017 20.033 0.097 63.19 2 427.3 5277.7
4 2 0 -2 11.793 23.586 0.114 45.0 2 132.8 362.8
5 0 0 2 11.833 23.665 0.115 44.68 2 287.4 1688.1
6 1 1 1 12.073 24.145 0.117 42.84 4 204.1 1632.6
7 1 1 -2 13.231 26.461 0.128 35.33 4 393.0 4991.3
8 0 2 0 15.581 31.163 0.15 24.92 2 557.0 3537.6
9 3 1 -1 15.755 31.509 0.152 24.34 4 185.5 766.0
10 3 1 -2 16.677 33.355 0.16 21.52 4 641.4 8098.2
11 0 2 1 16.709 33.418 0.161 21.43 4 224.3 986.1
12 1 1 2 16.735 33.47 0.161 21.36 4 618.1 7466.2
13 3 1 0 17.064 34.128 0.164 20.47 4 216.8 880.6
14 1 1 -3 18.176 36.353 0.174 17.83 4 22.4 8.2
15 2 2 -1 18.209 36.419 0.175 17.76 4 143.7 335.7
16 4 0 -2 18.625 37.25 0.179 16.9 2 71.0 39.0
17 2 2 0 18.663 37.326 0.179 16.83 4 449.2 3105.5
18 2 0 2 18.703 37.407 0.179 16.75 2 350.4 940.4
19 3 1 -3 19.554 39.108 0.187 15.18 4 148.1 304.7
20 2 2 -2 19.726 39.452 0.189 14.89 4 15.5 3.3
21 0 2 2 19.751 39.501 0.189 14.84 4 268.2 977.0
22 3 1 1 20.225 40.45 0.193 14.08 4 96.7 120.4
23 4 0 0 20.357 40.714 0.194 13.88 2 515.7 1688.2
24 2 2 1 20.979 41.957 0.2 12.98 4 58.7 40.9
25 2 0 -4 21.756 43.511 0.207 11.96 2 456.1 1137.9
26 1 1 3 22.228 44.455 0.211 11.4 4 66.8 46.6
27 2 2 -3 22.884 45.767 0.217 10.67 4 214.5 449.3
28 3 1 -4 23.789 47.578 0.225 9.77 4 349.1 1089.8
29 1 1 -4 23.832 47.663 0.226 9.73 4 367.2 1200.8
30 0 2 3 24.102 48.203 0.228 9.49 4 135.8 160.1
31 4 0 -4 24.127 48.253 0.228 9.47 2 464.4 933.7
32 0 0 4 24.211 48.423 0.229 9.39 2 155.8 104.3
33 1 3 0 24.342 48.685 0.23 9.28 4 33.4 9.5
34 1 3 -1 24.561 49.123 0.232 9.09 4 285.0 675.5
35 5 1 -2 24.566 49.132 0.232 9.08 4 479.2 1909.0
36 4 2 -1 24.589 49.178 0.233 9.07 4 140.5 163.7
37 3 1 2 24.65 49.299 0.233 9.02 4 296.0 722.5
38 4 2 -2 24.665 49.33 0.233 9.0 4 204.9 345.9
39 2 2 2 24.728 49.455 0.234 8.95 4 224.5 412.9
40 5 1 -1 25.064 50.129 0.237 8.68 4 30.2 7.2
41 5 1 -3 25.64 51.28 0.242 8.24 4 48.4 17.7
42 1 3 1 25.699 51.398 0.242 8.2 4 307.5 709.1
43 4 2 0 26.072 52.144 0.246 7.93 4 486.8 1720.4
44 4 2 -3 26.29 52.581 0.248 7.78 4 231.5 381.6
45 1 3 -2 26.327 52.653 0.248 7.76 4 336.7 804.7
46 5 1 0 27.072 54.143 0.254 7.28 4 182.8 222.8
47 2 2 -4 27.242 54.483 0.256 7.18 4 428.4 1205.7
48 3 3 -1 27.835 55.67 0.261 6.84 4 207.8 270.1
49 5 1 -4 28.156 56.311 0.264 6.66 4 124.7 94.7
50 6 0 -2 28.161 56.322 0.264 6.66 2 107.3 35.1
51 4 0 2 28.256 56.512 0.265 6.61 2 499.0 752.6
52 1 1 4 28.269 56.539 0.265 6.6 4 471.4 1341.9
53 3 3 -2 28.43 56.86 0.266 6.52 4 437.0 1138.5
54 1 3 2 28.468 56.936 0.266 6.5 4 388.0 894.9
55 3 3 0 28.686 57.372 0.268 6.39 4 278.0 451.5
56 4 2 1 28.943 57.887 0.271 6.26 4 56.7 18.4
57 3 1 -5 28.958 57.915 0.271 6.25 4 133.0 101.2
58 4 2 -4 29.282 58.565 0.273 6.1 4 342.4 653.8
59 0 2 4 29.356 58.713 0.274 6.06 4 186.9 193.8
60 1 3 -3 29.442 58.883 0.275 6.02 4 37.6 7.8
61 2 2 3 29.521 59.043 0.275 5.99 4 345.4 653.5
62 3 1 3 29.96 59.921 0.279 5.79 4 24.8 3.3
63 1 1 -5 30.015 60.03 0.28 5.77 4 139.4 102.5
64 5 1 1 30.382 60.763 0.283 5.61 4 105.0 56.6
65 3 3 -3 30.416 60.833 0.283 5.6 4 119.0 72.6
66 6 0 -4 30.48 60.96 0.284 5.57 2 630.5 1013.3
67 2 0 4 30.624 61.249 0.285 5.51 2 333.9 281.2
68 3 3 1 30.906 61.812 0.287 5.4 4 318.3 500.9
69 6 0 0 31.453 62.906 0.292 5.2 2 341.5 277.3
70 5 1 -5 31.891 63.782 0.295 5.04 4 125.2 72.3
71 1 3 3 32.418 64.837 0.3 4.87 4 15.6 1.1
72 0 4 0 32.494 64.988 0.3 4.84 2 324.2 232.9
73 2 2 -5 32.511 65.023 0.3 4.84 4 1.7 0.0
74 6 2 -2 32.89 65.781 0.304 4.72 4 173.4 129.8
75 4 2 2 32.977 65.954 0.304 4.69 4 430.9 796.9
76 0 4 1 33.155 66.31 0.306 4.64 4 218.3 202.2
77 6 2 -3 33.314 66.628 0.307 4.59 4 217.5 198.6
78 4 2 -5 33.417 66.835 0.308 4.56 4 24.4 2.5
79 3 3 -4 33.647 67.295 0.31 4.5 4 402.6 666.8
80 1 3 -4 33.682 67.363 0.31 4.49 4 178.5 130.7
81 6 2 -1 33.78 67.56 0.311 4.46 4 202.8 167.8
82 2 4 -1 34.087 68.173 0.313 4.38 4 293.7 345.3
83 4 0 -6 34.22 68.439 0.314 4.34 2 362.7 261.2
84 2 0 -6 34.271 68.541 0.315 4.33 2 541.4 580.1
85 5 3 -2 34.274 68.548 0.315 4.33 4 335.3 444.9
86 3 3 2 34.342 68.684 0.315 4.31 4 237.8 222.9
87 2 4 0 34.379 68.759 0.316 4.3 4 220.2 190.7
88 7 1 -3 34.632 69.263 0.318 4.23 4 114.3 50.6
89 5 3 -1 34.681 69.362 0.318 4.22 4 181.9 127.8
90 7 1 -2 34.685 69.37 0.318 4.22 4 534.3 1102.6
91 5 1 2 34.786 69.572 0.319 4.2 4 347.7 464.2
92 1 1 5 34.851 69.702 0.319 4.18 4 47.6 8.7
93 3 1 -6 34.887 69.775 0.32 4.17 4 147.8 83.4
94 6 2 -4 35.027 70.055 0.321 4.14 4 420.7 670.0
95 2 4 -2 35.084 70.168 0.321 4.12 4 16.3 1.0
96 0 4 2 35.101 70.202 0.321 4.12 4 202.8 155.0
97 5 3 -3 35.155 70.31 0.322 4.11 4 208.2 162.9
98 2 2 4 35.162 70.324 0.322 4.11 4 253.4 241.2
99 0 2 5 35.362 70.724 0.324 4.06 4 115.1 49.2
100 7 1 -4 35.857 71.714 0.327 3.95 4 189.6 129.9
101 6 2 0 35.936 71.872 0.328 3.93 4 320.3 369.2
102 2 4 1 35.948 71.896 0.328 3.93 4 139.5 69.9
103 7 1 -1 36.014 72.028 0.329 3.92 4 30.9 3.4
104 3 1 4 36.023 72.047 0.329 3.91 4 394.6 557.7
105 5 3 0 36.356 72.713 0.331 3.85 4 25.6 2.3
106 5 1 -6 36.665 73.33 0.334 3.78 4 330.3 377.7
107 1 1 -6 36.764 73.528 0.335 3.76 4 241.5 200.9
108 5 3 -4 37.284 74.569 0.339 3.67 4 34.1 3.9
109 2 4 -3 37.326 74.652 0.339 3.66 4 369.9 458.1
110 1 3 4 37.383 74.765 0.339 3.65 4 376.7 474.0
111 6 0 -6 37.816 75.633 0.343 3.57 2 384.6 241.9
112 6 2 -5 37.953 75.907 0.344 3.55 4 81.7 21.7
113 0 0 6 37.963 75.927 0.344 3.55 2 449.0 327.3
114 3 3 -5 37.981 75.961 0.344 3.55 4 299.2 290.5
115 4 2 3 38.018 76.037 0.344 3.54 4 212.8 146.7
116 0 4 3 38.246 76.491 0.346 3.5 4 428.4 588.5
117 7 1 -5 38.31 76.62 0.347 3.49 4 86.1 23.7
118 4 2 -6 38.552 77.104 0.348 3.46 4 250.9 199.1
119 7 1 0 38.565 77.131 0.348 3.45 4 359.3 408.0
120 2 2 -6 38.6 77.201 0.349 3.45 4 459.8 667.1
121 4 4 -1 38.622 77.243 0.349 3.45 4 304.0 291.2
122 4 4 -2 38.681 77.361 0.349 3.44 4 87.2 23.9
123 2 4 2 38.729 77.458 0.35 3.43 4 78.0 19.1
124 3 3 3 38.863 77.725 0.351 3.41 4 66.1 13.6
125 1 3 -5 38.911 77.822 0.351 3.4 4 319.7 318.1
126 5 3 1 39.237 78.474 0.354 3.36 4 310.9 296.7
127 6 2 1 39.274 78.549 0.354 3.35 4 44.3 6.0
128 8 0 -2 39.464 78.928 0.355 3.32 2 157.4 37.7
129 6 0 2 39.577 79.153 0.356 3.31 2 303.7 139.6
130 8 0 -4 39.699 79.397 0.357 3.29 2 290.3 126.9
131 4 4 0 39.792 79.585 0.358 3.28 4 319.2 305.9
132 4 0 4 39.892 79.783 0.359 3.27 2 37.1 2.1
133 4 4 -3 39.968 79.936 0.359 3.26 4 371.3 411.1
134 5 1 3 40.176 80.352 0.361 3.23 4 19.1 1.1
135 5 3 -5 40.594 81.188 0.364 3.18 4 279.5 227.6
136 2 4 -4 40.743 81.486 0.365 3.17 4 265.5 204.2
137 3 1 -7 41.606 83.211 0.371 3.08 4 110.9 34.6
138 2 2 5 41.641 83.283 0.371 3.07 4 80.6 18.2
139 7 1 -6 41.929 83.858 0.374 3.04 4 252.2 177.2
140 6 2 -6 42.02 84.04 0.374 3.04 4 357.6 355.3
141 1 1 6 42.12 84.239 0.375 3.03 4 54.1 8.1
142 0 2 6 42.163 84.326 0.375 3.02 4 347.6 334.2
143 4 4 1 42.168 84.336 0.375 3.02 4 21.0 1.2
144 7 1 1 42.279 84.557 0.376 3.01 4 95.0 24.9
145 5 1 -7 42.422 84.843 0.377 3.0 4 60.7 10.1
146 4 4 -4 42.457 84.915 0.377 3.0 4 178.5 87.3
147 0 4 4 42.521 85.042 0.378 2.99 4 117.4 37.8
148 1 5 0 42.619 85.239 0.379 2.98 4 42.9 5.0
149 2 4 3 42.663 85.325 0.379 2.98 4 296.6 239.9
150 1 5 -1 42.785 85.57 0.38 2.97 4 319.2 276.9
151 3 1 5 42.9 85.8 0.381 2.96 4 108.1 31.7
152 7 3 -3 43.123 86.246 0.382 2.94 4 185.6 92.8
153 8 2 -3 43.144 86.288 0.382 2.94 4 105.7 30.1
154 7 3 -2 43.173 86.346 0.382 2.94 4 366.8 361.9
155 5 3 2 43.268 86.536 0.383 2.93 4 157.5 66.6
156 1 3 5 43.329 86.658 0.384 2.93 4 259.0 179.9
157 3 3 -6 43.363 86.726 0.384 2.93 4 151.8 61.7
158 8 2 -2 43.632 87.263 0.386 2.91 4 76.1 15.4
159 1 5 1 43.661 87.322 0.386 2.91 4 376.5 377.0
160 6 2 2 43.742 87.485 0.387 2.9 4 286.9 218.5
161 8 2 -4 43.862 87.725 0.387 2.89 4 373.0 368.3
162 4 2 4 44.052 88.105 0.389 2.88 4 67.8 12.1
163 8 0 0 44.086 88.172 0.389 2.88 2 418.6 230.8
164 1 5 -2 44.156 88.313 0.389 2.87 4 69.3 12.6
165 1 1 -7 44.269 88.538 0.39 2.87 4 0.5 0.0
166 7 3 -4 44.279 88.558 0.39 2.87 4 99.1 25.8
167 7 3 -1 44.428 88.856 0.391 2.86 4 82.3 17.7
168 3 3 4 44.437 88.874 0.391 2.86 4 223.3 130.4
169 4 2 -7 44.686 89.373 0.393 2.84 4 207.1 111.7
170 8 0 -6 44.778 89.555 0.394 2.84 2 210.5 57.5
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 1 -1 9.716 19.431 5.30019 304.9 3.6 3.6 5.6
2 2 0 0 10.017 20.033 5.14253 5277.7 62.4 63.1 5.6
3 2 0 -2 11.793 23.586 4.37649 362.8 4.3 4.3 5.6
4 0 0 2 11.833 23.665 4.36211 1688.1 20.0 20.1 5.6
5 1 1 1 12.073 24.145 4.27661 1632.6 19.3 19.5 5.6
6 1 1 -2 13.231 26.461 3.90812 4991.3 59.1 59.4 5.6
7 0 2 0 15.581 31.163 3.33 3537.6 41.9 41.9 5.6
8 3 1 -1 15.755 31.509 3.2943 766.0 9.1 9.1 5.6
9 3 1 -2 16.677 33.355 3.11676 8098.2 95.8 95.8 5.7
10 1 1 2 16.735 33.47 3.10638 8452.3 100.0 100.0 5.7
11 3 1 0 17.064 34.128 3.0482 880.6 10.4 10.4 5.7
12 2 2 -1 18.209 36.419 2.86237 335.7 4.0 4.0 5.7
13 2 2 0 18.663 37.326 2.79515 3105.5 36.7 36.6 5.7
14 2 0 2 18.703 37.407 2.78936 940.4 11.1 11.1 5.7
15 3 1 -3 19.554 39.108 2.67246 304.7 3.6 3.6 5.7
16 0 2 2 19.751 39.501 2.64689 980.3 11.6 11.5 5.7
17 3 1 1 20.225 40.45 2.58732 120.4 1.4 1.4 5.7
18 4 0 0 20.357 40.714 2.57127 1688.2 20.0 19.8 5.7
19 2 0 -4 21.756 43.511 2.41323 1137.9 13.5 13.3 5.7
20 2 2 -3 22.884 45.767 2.3002 449.3 5.3 5.3 5.7
21 3 1 -4 23.789 47.578 2.21748 1089.8 12.9 12.7 5.7
22 1 1 -4 23.832 47.663 2.21373 1200.8 14.2 14.0 5.7
23 4 0 -4 24.127 48.253 2.18825 1093.8 12.9 12.7 5.7
24 0 0 4 24.211 48.423 2.18106 104.3 1.2 1.2 5.7
25 5 1 -2 24.566 49.132 2.15147 2748.2 32.5 32.0 5.7
26 3 1 2 24.65 49.299 2.14464 1068.4 12.6 12.4 5.7
27 2 2 2 24.728 49.455 2.1383 412.9 4.9 4.8 5.7
28 1 3 1 25.699 51.398 2.06268 709.1 8.4 8.2 5.8
29 4 2 0 26.072 52.144 2.03517 1720.4 20.4 20.0 5.8
30 4 2 -3 26.29 52.581 2.01946 381.6 4.5 4.4 5.8
31 1 3 -2 26.327 52.653 2.01688 804.7 9.5 9.3 5.8
32 5 1 0 27.072 54.143 1.9654 222.8 2.6 2.6 5.8
33 2 2 -4 27.242 54.483 1.95406 1205.7 14.3 13.9 5.8
34 3 3 -1 27.835 55.67 1.91563 270.1 3.2 3.1 5.8
35 5 1 -4 28.156 56.311 1.89557 129.8 1.5 1.5 5.8
36 1 1 4 28.269 56.539 1.88857 2094.5 24.8 24.2 5.8
37 3 3 -2 28.43 56.86 1.87878 1138.5 13.5 13.1 5.8
38 1 3 2 28.468 56.936 1.87649 894.9 10.6 10.3 5.8
39 3 3 0 28.686 57.372 1.86344 451.5 5.3 5.2 5.8
40 3 1 -5 28.958 57.915 1.84744 119.6 1.4 1.4 5.8
41 4 2 -4 29.282 58.565 1.82874 653.8 7.7 7.5 5.8
42 0 2 4 29.356 58.713 1.82454 193.8 2.3 2.2 5.8
43 2 2 3 29.521 59.043 1.81525 653.5 7.7 7.5 5.8
44 1 1 -5 30.015 60.03 1.7881 102.5 1.2 1.2 5.8
45 6 0 -4 30.48 60.96 1.7634 1013.3 12.0 11.6 5.8
46 2 0 4 30.624 61.249 1.75588 281.2 3.3 3.2 5.8
47 3 3 1 30.906 61.812 1.74145 500.9 5.9 5.7 5.8
48 6 0 0 31.453 62.906 1.71418 277.3 3.3 3.2 5.9
49 0 4 0 32.494 64.988 1.665 232.9 2.8 2.7 5.9
50 6 2 -2 32.89 65.781 1.64715 129.8 1.5 1.5 5.9
51 4 2 2 32.977 65.954 1.64331 796.9 9.4 9.1 5.9
52 0 4 1 33.155 66.31 1.63548 202.2 2.4 2.3 5.9
53 6 2 -3 33.314 66.628 1.62858 198.6 2.3 2.3 5.9
54 3 3 -4 33.647 67.295 1.61432 666.8 7.9 7.6 5.9
55 1 3 -4 33.682 67.363 1.61287 130.7 1.5 1.5 5.9
56 6 2 -1 33.78 67.56 1.60872 167.8 2.0 1.9 5.9
57 2 4 -1 34.087 68.173 1.59598 345.3 4.1 3.9 5.9
58 4 0 -6 34.22 68.439 1.59053 261.2 3.1 3.0 5.9
59 2 0 -6 34.271 68.541 1.58845 1025.0 12.1 11.6 5.9
60 3 3 2 34.342 68.684 1.58555 222.9 2.6 2.5 5.9
61 2 4 0 34.379 68.759 1.58404 190.7 2.3 2.2 5.9
62 7 1 -2 34.685 69.37 1.57181 1230.4 14.6 13.9 5.9
63 5 1 2 34.786 69.572 1.56781 464.2 5.5 5.2 5.9
64 6 2 -4 35.027 70.055 1.55838 670.0 7.9 7.6 5.9
65 0 4 2 35.101 70.202 1.55554 156.0 1.8 1.8 5.9
66 2 2 4 35.162 70.324 1.55319 404.1 4.8 4.6 5.9
67 7 1 -4 35.857 71.714 1.527 129.9 1.5 1.5 5.9
68 6 2 0 35.936 71.872 1.5241 439.1 5.2 4.9 5.9
69 3 1 4 36.023 72.047 1.5209 561.1 6.6 6.3 5.9
70 5 1 -6 36.665 73.33 1.49792 377.7 4.5 4.2 6.0
71 1 1 -6 36.764 73.528 1.49446 200.9 2.4 2.3 6.0
72 2 4 -3 37.326 74.652 1.47515 458.1 5.4 5.1 6.0
73 1 3 4 37.383 74.765 1.47325 474.0 5.6 5.3 6.0
74 6 0 -6 37.816 75.633 1.45883 241.9 2.9 2.7 6.0
75 3 3 -5 37.981 75.961 1.45347 639.5 7.6 7.1 6.0
76 4 2 3 38.018 76.037 1.45224 146.7 1.7 1.6 6.0
77 0 4 3 38.246 76.491 1.44493 588.5 7.0 6.6 6.0
78 7 1 0 38.565 77.131 1.43479 607.1 7.2 6.8 6.0
79 2 2 -6 38.6 77.201 1.43369 958.4 11.3 10.7 6.0
80 1 3 -5 38.911 77.822 1.42404 318.1 3.8 3.5 6.0
81 5 3 1 39.237 78.474 1.41411 296.7 3.5 3.3 6.0
82 6 0 2 39.577 79.153 1.40393 139.6 1.7 1.5 6.0
83 8 0 -4 39.699 79.397 1.40033 126.9 1.5 1.4 6.0
84 4 4 0 39.792 79.585 1.39758 305.9 3.6 3.4 6.0
85 4 4 -3 39.968 79.936 1.39246 411.1 4.9 4.5 6.0
86 5 3 -5 40.594 81.188 1.37463 227.6 2.7 2.5 6.1
87 2 4 -4 40.743 81.486 1.37046 204.2 2.4 2.3 6.1
88 7 1 -6 41.929 83.858 1.3386 177.2 2.1 1.9 6.1
89 6 2 -6 42.02 84.04 1.33623 355.3 4.2 3.9 6.1
90 0 2 6 42.163 84.326 1.33254 335.4 4.0 3.7 6.1
91 4 4 -4 42.457 84.915 1.32505 87.3 1.0 1.0 6.1
92 2 4 3 42.663 85.325 1.31989 239.9 2.8 2.6 6.1
93 1 5 -1 42.785 85.57 1.31684 276.9 3.3 3.0 6.1
94 7 3 -3 43.123 86.246 1.30852 122.9 1.5 1.3 6.1
95 7 3 -2 43.173 86.346 1.30731 361.9 4.3 3.9 6.1
96 1 3 5 43.329 86.658 1.30353 179.9 2.1 2.0 6.1
97 1 5 1 43.661 87.322 1.29558 392.4 4.6 4.3 6.2
98 6 2 2 43.742 87.485 1.29366 218.5 2.6 2.4 6.2
99 8 2 -4 43.862 87.725 1.29084 368.3 4.4 4.0 6.2
100 8 0 0 44.086 88.172 1.28563 230.8 2.7 2.5 6.2
101 3 3 4 44.437 88.874 1.27757 148.1 1.8 1.6 6.2
102 4 2 -7 44.686 89.373 1.27194 111.7 1.3 1.2 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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