Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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
5, t-monazite
PbCrO(4)
Monoclinic P 2(1)/n Z = 2
P2(1)/n
21 .12 .16
Ref.Str.:
Bandiello E., Errandonea D., Martinez-Garcia D.,
Santamaria-Perez D., Manjon F.J. (2012)
* Phys. Review, B85, 024108-10
L: $Pb0.997 Fe0.003 Cr1 O4$
R: Locality - Red Lead mine, Dundas, Tasmania, Australia.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.098 alpha = 90.0
b = 7.41 beta = 102.4
c = 6.779 gamma = 90.0
Unit cell volume (cub. angs.) = 348.23
Molar volume ( cub.cm/mol.) = 104.88
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2247 0.1515 0.4044 0.0 Pb = 1.0 , Fe = 0.0
2 0.1984 0.1643 0.8845 0.0 Cr = 1.00
3 0.2561 0.0047 0.0568 0.0 O = 1.00
4 0.1201 0.3415 0.9943 0.0 O = 1.00
5 0.0274 0.1047 0.6858 0.0 O = 1.00
6 0.3859 0.2152 0.7872 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2247 0.1515 0.4044
2 2 0.1984 0.1643 0.8845
3 3 0.2561 0.0047 0.0568
4 4 0.1201 0.3415 0.9943
5 5 0.0274 0.1047 0.6858
6 6 0.3859 0.2152 0.7872
7 1 0.7753 0.8485 0.5956
8 2 0.8016 0.8357 0.1155
9 3 0.7439 0.9953 0.9432
10 4 0.8799 0.6585 0.0057
11 5 0.9726 0.8953 0.3142
12 6 0.6141 0.7848 0.2128
13 1 0.7247 0.3485 0.9044
14 2 0.6984 0.3357 0.3845
15 3 0.7561 0.4953 0.5568
16 4 0.6201 0.1585 0.4943
17 5 0.5274 0.3953 0.1858
18 6 0.8859 0.2848 0.2872
19 1 0.2753 0.6515 0.0956
20 2 0.3016 0.6643 0.6155
21 3 0.2439 0.5047 0.4432
22 4 0.3799 0.8415 0.5057
23 5 0.4726 0.6047 0.8142
24 6 0.1141 0.7152 0.7128
X-ray density (g/cm cub.) = 6.15
MU (1/cm) = 1186.637 Mass attenuation coefficient (cm**2/g) = 192.827
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Fe 3.144 9
2.6478 3
3.062 4
2.6206 5
2.644 6
2.5904 5
2.7416 4
2.5631 6
2.631 3
2.5762 4
2 Cr 2.628 4
1.6508 3
1.6627 4
1.6675 5
1.6509 6
3 O 3.264 7
2.6766 4
2.785 5
2.7102 6
3.0429 5
3.0127 6
3.2166 4
3.1696 6
4 O 3.264 7
2.6766 3
2.7008 5
2.7466 6
2.9133 4
2.9309 5
2.881 6
3.2166 3
5 O 3.264 8
2.785 3
2.7008 4
2.6205 6
3.0429 3
2.9127 5
2.9309 4
2.9876 6
2.9486 6
6 O 3.264 8
2.7102 3
2.7466 4
2.6205 5
3.0127 3
2.881 4
2.9876 5
3.1696 3
2.9486 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 8.197 16.395 0.093 95.44 2 81.0 1032.5
2 1 1 0 8.752 17.504 0.099 83.45 4 46.2 588.6
3 0 1 1 8.976 17.952 0.101 79.23 4 102.1 2722.9
4 1 1 -1 10.163 20.326 0.115 61.32 4 128.0 3314.9
5 1 0 1 10.212 20.424 0.115 60.71 2 106.9 1143.5
6 1 1 1 11.86 23.72 0.133 44.47 4 107.6 1697.5
7 0 2 0 11.999 23.999 0.135 43.39 2 131.9 1245.9
8 2 0 0 12.84 25.68 0.144 37.64 2 323.2 6486.0
9 0 0 2 13.455 26.91 0.151 34.09 2 113.0 718.0
10 1 2 0 13.635 27.27 0.153 33.15 4 318.5 11089.7
11 0 2 1 13.783 27.566 0.155 32.4 4 67.8 490.7
12 2 1 0 14.202 28.403 0.159 30.4 4 111.7 1250.5
13 2 1 -1 14.492 28.984 0.162 29.11 4 78.4 589.6
14 1 2 -1 14.602 29.203 0.164 28.65 4 7.7 5.6
15 0 1 2 14.765 29.529 0.165 27.98 4 271.8 6819.3
16 1 1 -2 14.908 29.817 0.167 27.4 4 173.2 2711.7
17 1 2 1 15.857 31.714 0.177 24.0 4 0.4 0.0
18 2 0 -2 16.569 33.137 0.185 21.83 2 240.1 2075.4
19 2 1 1 16.933 33.866 0.189 20.82 4 56.5 219.1
20 1 1 2 17.296 34.593 0.193 19.88 4 149.3 1461.6
21 2 1 -2 17.669 35.338 0.197 18.97 4 180.4 2035.8
22 2 2 0 17.717 35.434 0.198 18.86 4 87.3 474.0
23 2 2 -1 17.956 35.912 0.2 18.32 4 58.0 203.4
24 0 2 2 18.182 36.364 0.203 17.82 4 12.4 9.0
25 1 2 -2 18.302 36.603 0.204 17.57 4 108.9 687.0
26 3 0 -1 19.185 38.371 0.213 15.83 2 100.7 264.7
27 1 3 0 19.333 38.666 0.215 15.56 4 44.6 101.9
28 0 3 1 19.442 38.884 0.216 15.37 4 189.6 1823.1
29 2 2 1 20.024 40.048 0.222 14.4 4 172.2 1408.1
30 1 0 -3 20.047 40.095 0.223 14.36 2 257.5 1570.3
31 1 3 -1 20.054 40.108 0.223 14.35 4 31.0 45.4
32 3 1 -1 20.162 40.324 0.224 14.18 4 180.4 1522.0
33 1 2 2 20.34 40.679 0.226 13.9 4 35.7 58.4
34 3 1 0 20.437 40.873 0.227 13.76 4 69.2 217.2
35 2 2 -2 20.665 41.33 0.229 13.42 4 49.4 108.1
36 2 0 2 20.768 41.536 0.23 13.27 2 20.4 9.1
37 1 1 -3 20.99 41.981 0.233 12.96 4 12.4 6.6
38 1 3 1 21.022 42.044 0.233 12.92 4 78.2 260.5
39 0 1 3 21.357 42.714 0.236 12.47 4 24.0 23.7
40 2 1 2 21.685 43.371 0.24 12.05 4 287.4 3283.1
41 3 0 1 22.08 44.161 0.244 11.57 2 167.0 532.0
42 3 1 -2 22.199 44.398 0.245 11.43 4 98.3 364.1
43 2 3 0 22.515 45.031 0.249 11.07 4 47.4 82.2
44 2 1 -3 22.682 45.364 0.25 10.89 4 12.5 5.6
45 2 3 -1 22.712 45.423 0.251 10.85 4 182.5 1192.7
46 1 0 3 22.852 45.704 0.252 10.7 2 170.1 511.0
47 3 2 -1 22.884 45.768 0.252 10.67 4 26.1 24.0
48 0 3 2 22.898 45.796 0.253 10.66 4 45.9 74.0
49 3 1 1 22.955 45.911 0.253 10.6 4 94.5 312.2
50 1 3 -2 22.997 45.995 0.254 10.55 4 283.6 2798.5
51 3 2 0 23.132 46.265 0.255 10.41 4 233.2 1868.7
52 1 2 -3 23.635 47.271 0.26 9.92 4 49.8 81.1
53 1 1 3 23.705 47.41 0.261 9.85 4 27.1 23.8
54 0 2 3 23.97 47.939 0.264 9.61 4 188.1 1121.3
55 2 2 2 24.27 48.541 0.267 9.34 4 19.8 12.1
56 2 3 1 24.447 48.894 0.269 9.19 4 129.5 508.2
57 0 4 0 24.57 49.14 0.27 9.08 2 219.0 718.1
58 1 3 2 24.717 49.435 0.271 8.96 4 286.4 2424.8
59 3 2 -2 24.742 49.484 0.272 8.94 4 249.8 1840.2
60 2 3 -2 24.997 49.995 0.274 8.73 4 78.1 175.9
61 2 2 -3 25.187 50.374 0.276 8.58 4 154.3 674.3
62 3 0 -3 25.325 50.649 0.278 8.48 2 173.7 421.8
63 3 2 1 25.44 50.88 0.279 8.39 4 40.3 44.9
64 1 4 0 25.493 50.985 0.279 8.35 4 187.9 972.1
65 0 4 1 25.58 51.161 0.28 8.29 4 41.7 47.6
66 1 4 -1 26.077 52.153 0.285 7.93 4 68.3 122.1
67 3 1 -3 26.116 52.233 0.286 7.9 4 22.4 13.0
68 1 2 3 26.136 52.272 0.286 7.89 4 35.6 33.0
69 4 0 0 26.388 52.776 0.288 7.72 2 198.9 503.5
70 4 1 -1 26.541 53.083 0.29 7.62 4 93.3 218.8
71 1 4 1 26.874 53.747 0.293 7.41 4 89.0 193.3
72 3 3 -1 26.939 53.878 0.294 7.36 4 61.7 92.5
73 4 0 -2 27.082 54.164 0.296 7.28 2 265.1 843.4
74 4 1 0 27.158 54.316 0.296 7.23 4 156.1 581.5
75 3 3 0 27.16 54.319 0.296 7.23 4 130.1 403.6
76 3 1 2 27.231 54.461 0.297 7.19 4 147.3 514.7
77 1 3 -3 27.608 55.217 0.301 6.96 4 1.7 0.1
78 2 1 3 27.647 55.294 0.301 6.94 4 35.9 29.4
79 0 0 4 27.734 55.468 0.302 6.89 2 197.5 443.4
80 1 1 -4 27.8 55.599 0.303 6.86 4 110.9 278.2
81 4 1 -2 27.838 55.677 0.303 6.83 4 94.1 199.5
82 0 3 3 27.908 55.816 0.304 6.8 4 8.1 1.5
83 2 0 -4 28.078 56.156 0.306 6.7 2 125.5 174.0
84 2 4 0 28.129 56.259 0.306 6.68 4 165.7 604.4
85 2 3 2 28.178 56.356 0.307 6.65 4 63.3 87.9
86 2 4 -1 28.297 56.593 0.308 6.59 4 15.5 5.2
87 3 2 -3 28.398 56.796 0.309 6.53 4 37.0 29.4
88 0 4 2 28.456 56.912 0.309 6.5 4 65.8 92.8
89 0 1 4 28.479 56.958 0.31 6.49 4 133.8 383.1
90 1 4 -2 28.541 57.082 0.31 6.46 4 75.6 121.8
91 3 3 -2 28.604 57.207 0.311 6.43 4 179.3 681.9
92 4 2 -1 28.8 57.6 0.313 6.33 4 21.2 9.4
93 2 1 -4 28.817 57.635 0.313 6.32 4 185.3 715.7
94 2 3 -3 29.007 58.014 0.315 6.23 4 23.5 11.3
95 3 3 1 29.237 58.474 0.317 6.12 4 20.6 8.6
96 4 2 0 29.385 58.77 0.319 6.05 4 27.4 14.9
97 3 2 2 29.454 58.908 0.319 6.02 4 45.9 41.9
98 4 1 1 29.607 59.214 0.321 5.95 4 31.2 19.1
99 2 4 1 29.796 59.591 0.323 5.86 4 69.6 93.6
100 2 2 3 29.85 59.7 0.323 5.84 4 162.7 509.8
101 1 3 3 29.872 59.745 0.323 5.83 4 43.1 35.7
102 1 2 -4 29.995 59.99 0.325 5.78 4 161.7 498.2
103 1 4 2 30.032 60.064 0.325 5.76 4 3.0 0.2
104 4 2 -2 30.032 60.064 0.325 5.76 4 81.9 127.6
105 2 4 -2 30.278 60.556 0.327 5.66 4 127.6 303.7
106 0 2 4 30.643 61.287 0.331 5.51 4 66.3 79.9
107 1 1 4 30.783 61.566 0.332 5.45 4 43.8 34.5
108 4 1 -3 30.888 61.776 0.333 5.41 4 2.0 0.1
109 2 2 -4 30.967 61.934 0.334 5.38 4 46.1 37.7
110 3 1 -4 31.427 62.853 0.338 5.21 4 132.9 303.3
111 4 2 1 31.724 63.449 0.341 5.1 4 139.5 327.6
112 3 3 -3 31.962 63.924 0.344 5.02 4 27.7 12.7
113 3 4 -1 32.005 64.009 0.344 5.0 4 34.8 20.0
114 1 5 0 32.107 64.214 0.345 4.97 4 17.9 5.2
115 3 0 3 32.133 64.265 0.345 4.96 2 163.7 219.4
116 0 5 1 32.183 64.365 0.346 4.94 4 27.3 12.1
117 3 4 0 32.203 64.407 0.346 4.94 4 143.9 337.3
118 4 3 -1 32.337 64.674 0.347 4.89 4 164.4 436.4
119 1 4 -3 32.608 65.216 0.35 4.81 4 136.2 294.0
120 1 5 -1 32.613 65.226 0.35 4.8 4 134.9 288.5
121 3 1 3 32.816 65.632 0.352 4.74 4 52.2 42.7
122 1 2 4 32.856 65.712 0.352 4.73 4 237.0 876.3
123 5 0 -1 32.862 65.723 0.352 4.73 2 12.7 1.3
124 0 4 3 32.879 65.759 0.352 4.72 4 96.8 145.9
125 4 3 0 32.884 65.769 0.352 4.72 4 26.2 10.7
126 3 3 2 32.949 65.898 0.353 4.7 4 246.1 939.0
127 4 2 -3 32.958 65.915 0.353 4.7 4 139.5 301.4
128 4 0 2 32.966 65.932 0.353 4.69 2 113.4 99.5
129 2 4 2 33.125 66.25 0.355 4.65 4 11.3 2.0
130 1 5 1 33.31 66.619 0.356 4.59 4 130.2 256.7
131 2 3 3 33.321 66.642 0.357 4.59 4 42.5 27.3
132 1 3 -4 33.458 66.916 0.358 4.55 4 209.1 655.9
133 3 2 -4 33.478 66.956 0.358 4.54 4 88.7 117.8
134 4 3 -2 33.493 66.985 0.358 4.54 4 21.1 6.7
135 3 4 -2 33.513 67.025 0.358 4.53 4 141.5 299.5
136 5 1 -1 33.537 67.075 0.359 4.53 4 134.0 268.2
137 4 1 2 33.641 67.281 0.36 4.5 4 170.2 429.9
138 2 0 4 33.856 67.711 0.362 4.44 2 257.7 486.2
139 2 4 -3 33.882 67.764 0.362 4.43 4 79.8 93.1
140 0 3 4 34.069 68.139 0.364 4.38 4 60.6 53.1
141 3 4 1 34.093 68.186 0.364 4.37 4 98.1 138.9
142 5 1 -2 34.332 68.664 0.366 4.31 4 31.9 14.4
143 2 3 -4 34.375 68.751 0.366 4.3 4 30.9 13.5
144 5 1 0 34.417 68.833 0.367 4.29 4 125.9 224.1
145 2 5 0 34.421 68.842 0.367 4.29 4 113.2 181.4
146 2 1 4 34.522 69.043 0.368 4.26 4 48.2 32.7
147 2 5 -1 34.57 69.141 0.368 4.25 4 4.9 0.3
148 1 0 -5 34.632 69.264 0.369 4.23 2 66.8 31.2
149 1 4 3 34.678 69.355 0.369 4.22 4 105.1 154.0
150 0 5 2 34.713 69.426 0.37 4.21 4 237.8 786.1
151 4 0 -4 34.773 69.546 0.37 4.2 2 71.1 35.1
152 1 5 -2 34.789 69.578 0.37 4.2 4 11.0 1.7
153 3 2 3 34.825 69.65 0.371 4.19 4 22.3 6.9
154 4 3 1 35.094 70.188 0.373 4.12 4 88.5 106.5
155 1 1 -5 35.291 70.583 0.375 4.08 4 125.7 212.6
156 4 1 -4 35.431 70.862 0.376 4.04 4 221.5 654.7
157 5 2 -1 35.526 71.053 0.377 4.02 4 10.0 1.3
158 4 2 2 35.627 71.254 0.378 4.0 4 41.5 22.8
159 2 1 -5 35.853 71.706 0.38 3.95 4 84.5 93.0
160 2 5 1 35.92 71.841 0.381 3.94 4 20.3 5.3
161 5 0 -3 36.102 72.205 0.382 3.9 2 146.3 137.7
162 1 5 2 36.135 72.27 0.383 3.89 4 40.7 21.3
163 1 3 4 36.173 72.347 0.383 3.88 4 98.5 124.2
164 0 1 5 36.222 72.445 0.384 3.87 4 78.5 78.7
165 5 0 1 36.268 72.536 0.384 3.86 2 179.5 205.4
166 4 3 -3 36.27 72.541 0.384 3.86 4 32.4 13.3
167 5 2 -2 36.301 72.602 0.384 3.86 4 220.7 619.6
168 2 5 -2 36.359 72.718 0.385 3.84 4 185.9 438.2
169 5 2 0 36.384 72.767 0.385 3.84 4 147.4 275.1
170 2 2 4 36.486 72.973 0.386 3.82 4 93.5 110.1
171 3 4 -3 36.623 73.245 0.387 3.79 4 116.6 170.1
172 5 1 -3 36.75 73.501 0.388 3.77 4 60.4 45.4
173 3 3 -4 36.769 73.538 0.389 3.76 4 255.4 810.1
174 5 1 1 36.915 73.829 0.39 3.74 4 83.1 85.0
175 4 4 -1 36.975 73.95 0.39 3.72 4 30.9 11.7
176 1 2 -5 37.239 74.478 0.393 3.68 4 5.7 0.4
177 3 0 -5 37.24 74.481 0.393 3.68 2 120.4 87.9
178 4 2 -4 37.376 74.751 0.394 3.65 4 29.2 10.2
179 4 4 0 37.491 74.981 0.395 3.63 4 130.2 203.1
180 3 4 2 37.552 75.103 0.396 3.62 4 26.4 8.3
181 2 2 -5 37.789 75.578 0.398 3.58 4 53.2 33.4
182 3 1 -5 37.881 75.762 0.399 3.56 4 84.0 83.0
183 2 4 3 37.904 75.807 0.399 3.56 4 97.5 111.7
184 3 5 -1 37.947 75.894 0.399 3.55 4 163.5 313.4
185 1 0 5 37.967 75.935 0.399 3.55 2 49.8 14.5
186 1 4 -4 38.033 76.066 0.4 3.54 4 115.1 154.7
187 3 3 3 38.066 76.131 0.4 3.53 4 23.5 6.4
188 4 4 -2 38.066 76.132 0.4 3.53 4 132.2 203.6
189 3 5 0 38.131 76.262 0.401 3.52 4 22.8 6.1
190 0 2 5 38.152 76.303 0.401 3.52 4 51.7 31.0
191 1 5 -3 38.508 77.015 0.404 3.46 4 9.0 0.9
192 0 6 0 38.587 77.175 0.405 3.45 2 226.9 293.0
193 1 1 5 38.604 77.208 0.405 3.45 4 151.4 260.7
194 0 4 4 38.614 77.227 0.405 3.45 4 140.0 222.7
195 5 2 -3 38.67 77.34 0.406 3.44 4 17.3 3.4
196 5 3 -1 38.744 77.488 0.406 3.43 4 57.7 37.7
197 0 5 3 38.761 77.522 0.406 3.42 4 25.2 7.2
198 5 2 1 38.831 77.663 0.407 3.41 4 49.0 27.0
199 4 3 2 38.842 77.684 0.407 3.41 4 58.7 38.8
200 2 4 -4 38.905 77.811 0.408 3.4 4 96.7 104.9
201 2 5 2 38.99 77.981 0.408 3.39 4 243.4 662.5
202 4 1 3 39.043 78.086 0.409 3.38 4 81.5 74.2
203 1 6 0 39.311 78.622 0.411 3.35 4 98.7 107.5
204 3 5 -2 39.354 78.708 0.412 3.34 4 5.0 0.3
205 0 6 1 39.38 78.761 0.412 3.34 4 60.1 39.8
206 5 3 -2 39.496 78.992 0.413 3.32 4 67.6 50.0
207 3 1 4 39.53 79.06 0.413 3.32 4 5.2 0.3
208 5 3 0 39.576 79.153 0.414 3.31 4 202.9 449.3
209 4 4 1 39.592 79.184 0.414 3.31 4 90.5 89.4
210 2 3 4 39.676 79.352 0.414 3.3 4 16.6 3.0
211 2 5 -3 39.701 79.402 0.415 3.29 4 26.7 7.7
212 1 6 -1 39.777 79.554 0.415 3.28 4 70.5 53.8
213 3 2 -5 39.783 79.565 0.415 3.28 4 15.0 2.4
214 3 5 1 39.9 79.799 0.416 3.27 4 108.6 127.0
215 1 3 -5 40.409 80.819 0.421 3.2 4 42.7 19.3
216 1 6 1 40.422 80.845 0.421 3.2 4 68.1 49.0
217 1 5 3 40.453 80.905 0.421 3.2 4 52.4 29.0
218 1 2 5 40.496 80.992 0.422 3.19 4 1.3 0.0
219 4 3 -4 40.543 81.086 0.422 3.19 4 57.1 34.3
220 1 4 4 40.629 81.259 0.423 3.18 4 140.4 206.8
221 5 1 -4 40.686 81.371 0.423 3.17 4 126.7 168.0
222 4 4 -3 40.723 81.446 0.423 3.17 4 73.2 56.0
223 5 1 2 40.925 81.85 0.425 3.15 4 88.7 81.7
224 4 2 3 40.93 81.859 0.425 3.15 4 136.8 194.2
225 2 3 -5 40.947 81.895 0.425 3.14 4 121.0 151.7
226 6 0 -2 41.09 82.181 0.427 3.13 2 236.9 289.7
227 3 4 -4 41.205 82.409 0.428 3.12 4 45.4 21.2
228 6 1 -1 41.293 82.587 0.428 3.11 4 75.2 58.0
229 0 3 5 41.302 82.604 0.428 3.11 4 136.4 190.6
230 4 1 -5 41.305 82.61 0.428 3.11 4 63.5 41.3
231 3 2 4 41.411 82.822 0.429 3.1 4 191.7 375.3
232 2 6 0 41.461 82.923 0.43 3.09 4 208.3 442.3
233 2 6 -1 41.602 83.203 0.431 3.08 4 31.7 10.2
234 6 1 -2 41.715 83.429 0.432 3.07 4 46.5 21.9
235 0 6 2 41.736 83.472 0.432 3.06 4 90.7 83.0
236 1 6 -2 41.808 83.615 0.433 3.06 4 53.4 28.7
237 5 3 -3 41.81 83.621 0.433 3.06 4 19.1 3.7
238 6 0 0 41.811 83.622 0.433 3.06 2 106.0 56.6
239 5 3 1 41.969 83.938 0.434 3.04 4 11.5 1.3
240 3 5 -3 42.31 84.619 0.437 3.01 4 45.3 20.4
241 2 1 5 42.366 84.732 0.437 3.01 4 106.7 112.8
242 6 1 0 42.433 84.867 0.438 3.0 4 169.1 283.0
243 3 4 3 42.464 84.928 0.438 3.0 4 112.9 126.0
244 5 2 -4 42.556 85.113 0.439 2.99 4 13.9 1.9
245 4 5 -1 42.649 85.298 0.44 2.98 4 31.1 9.5
246 5 2 2 42.794 85.588 0.441 2.97 4 108.4 115.1
247 2 6 1 42.88 85.76 0.442 2.96 4 84.2 69.2
248 3 3 -5 42.905 85.811 0.442 2.96 4 57.5 32.3
249 1 6 2 43.085 86.17 0.443 2.95 4 24.4 5.8
250 5 4 -1 43.126 86.253 0.444 2.94 4 30.4 9.0
251 4 5 0 43.147 86.294 0.444 2.94 4 147.5 211.1
252 6 2 -1 43.16 86.32 0.444 2.94 4 14.4 2.0
253 4 2 -5 43.171 86.343 0.444 2.94 4 109.0 115.2
254 3 5 2 43.206 86.412 0.444 2.94 4 2.8 0.1
255 4 4 2 43.222 86.444 0.445 2.94 4 90.4 79.2
256 2 0 -6 43.282 86.564 0.445 2.93 2 248.4 298.6
257 2 6 -2 43.299 86.598 0.445 2.93 4 138.1 184.4
258 2 5 3 43.547 87.095 0.447 2.91 4 7.1 0.5
259 6 2 -2 43.579 87.157 0.447 2.91 4 70.4 47.6
260 1 3 5 43.61 87.219 0.448 2.91 4 47.4 21.5
261 1 5 -4 43.673 87.346 0.448 2.91 4 5.4 0.3
262 1 1 -6 43.688 87.376 0.448 2.9 4 62.2 37.1
263 6 1 -3 43.69 87.381 0.448 2.9 4 52.2 26.1
264 4 5 -2 43.705 87.411 0.449 2.9 4 107.5 110.7
265 5 4 -2 43.863 87.727 0.45 2.89 4 158.6 240.2
266 2 1 -6 43.902 87.804 0.45 2.89 4 52.2 26.0
267 5 4 0 43.942 87.885 0.45 2.89 4 75.3 54.0
268 4 3 3 44.039 88.078 0.451 2.88 4 109.6 114.2
269 2 4 4 44.041 88.081 0.451 2.88 4 155.6 230.2
270 2 2 5 44.227 88.454 0.453 2.87 4 16.8 2.7
271 0 5 4 44.239 88.477 0.453 2.87 4 143.7 195.4
272 0 0 6 44.271 88.541 0.453 2.87 2 171.8 139.6
273 6 2 0 44.294 88.588 0.453 2.87 4 23.4 5.2
274 3 3 4 44.516 89.032 0.455 2.85 4 22.5 4.8
275 2 5 -4 44.523 89.047 0.455 2.85 4 179.2 302.3
276 1 4 -5 44.763 89.526 0.457 2.84 4 39.5 14.6
277 3 6 -1 44.828 89.657 0.458 2.84 4 31.4 9.2
278 0 1 6 44.89 89.78 0.458 2.83 4 95.0 84.3
279 4 4 -4 44.895 89.79 0.458 2.83 4 40.1 15.1
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 8.197 16.395 5.40237 1032.5 9.3 9.4 5.6
2 1 1 0 8.752 17.504 5.06238 588.6 5.3 5.3 5.6
3 0 1 1 8.976 17.952 4.93716 2722.9 24.6 24.7 5.6
4 1 1 -1 10.163 20.326 4.36537 3314.9 29.9 30.0 5.6
5 1 0 1 10.212 20.424 4.34465 1143.5 10.3 10.4 5.6
6 1 1 1 11.86 23.72 3.74793 1697.5 15.3 15.3 5.6
7 0 2 0 11.999 23.999 3.705 1245.9 11.2 11.3 5.6
8 2 0 0 12.84 25.68 3.46621 6486.0 58.5 58.6 5.6
9 0 0 2 13.455 26.91 3.31043 718.0 6.5 6.5 5.6
10 1 2 0 13.635 27.27 3.26761 11089.7 100.0 100.0 5.6
11 0 2 1 13.783 27.566 3.23319 490.7 4.4 4.4 5.6
12 2 1 0 14.202 28.403 3.13969 1250.5 11.3 11.3 5.6
13 2 1 -1 14.492 28.984 3.07812 589.6 5.3 5.3 5.6
14 0 1 2 14.765 29.529 3.02252 6819.3 61.5 61.4 5.6
15 1 1 -2 14.908 29.817 2.99401 2711.7 24.5 24.4 5.6
16 2 0 -2 16.569 33.137 2.70119 2075.4 18.7 18.6 5.6
17 2 1 1 16.933 33.866 2.6447 219.1 2.0 2.0 5.7
18 1 1 2 17.296 34.593 2.59078 1461.6 13.2 13.1 5.7
19 2 1 -2 17.669 35.338 2.53783 2035.8 18.4 18.2 5.7
20 2 2 0 17.717 35.434 2.53119 474.0 4.3 4.2 5.7
21 2 2 -1 17.956 35.912 2.4986 203.4 1.8 1.8 5.7
22 1 2 -2 18.302 36.603 2.45298 687.0 6.2 6.1 5.7
23 3 0 -1 19.185 38.371 2.34395 264.7 2.4 2.4 5.7
24 0 3 1 19.442 38.884 2.3142 1823.1 16.4 16.3 5.7
25 1 0 -3 20.047 40.095 2.24706 3023.8 27.3 27.0 5.7
26 3 1 -1 20.162 40.324 2.23481 1522.0 13.7 13.6 5.7
27 3 1 0 20.437 40.873 2.20603 217.2 2.0 1.9 5.7
28 1 3 1 21.022 42.044 2.14725 260.5 2.3 2.3 5.7
29 2 1 2 21.685 43.371 2.08459 3283.1 29.6 29.2 5.7
30 3 0 1 22.08 44.161 2.04913 532.0 4.8 4.7 5.7
31 3 1 -2 22.199 44.398 2.03873 364.1 3.3 3.2 5.7
32 2 3 -1 22.712 45.423 1.99506 1192.7 10.8 10.6 5.7
33 1 0 3 22.852 45.704 1.98345 511.0 4.6 4.5 5.7
34 3 1 1 22.955 45.911 1.97501 312.2 2.8 2.8 5.7
35 1 3 -2 22.997 45.995 1.9716 2798.5 25.2 24.8 5.7
36 3 2 0 23.132 46.265 1.96071 1868.7 16.9 16.6 5.7
37 0 2 3 23.97 47.939 1.89606 1121.3 10.1 9.9 5.7
38 2 3 1 24.447 48.894 1.86123 508.2 4.6 4.5 5.7
39 0 4 0 24.57 49.14 1.8525 718.1 6.5 6.3 5.7
40 1 3 2 24.717 49.435 1.84214 4265.0 38.5 37.6 5.7
41 2 3 -2 24.997 49.995 1.82282 175.9 1.6 1.6 5.7
42 2 2 -3 25.187 50.374 1.80997 674.3 6.1 5.9 5.8
43 3 0 -3 25.325 50.649 1.80079 421.8 3.8 3.7 5.8
44 1 4 0 25.493 50.985 1.7897 972.1 8.8 8.6 5.8
45 1 4 -1 26.077 52.153 1.75234 122.1 1.1 1.1 5.8
46 4 0 0 26.388 52.776 1.73311 503.5 4.5 4.4 5.8
47 4 1 -1 26.541 53.083 1.72382 218.8 2.0 1.9 5.8
48 1 4 1 26.874 53.747 1.70406 193.3 1.7 1.7 5.8
49 4 0 -2 27.082 54.164 1.69195 843.4 7.6 7.4 5.8
50 4 1 0 27.158 54.316 1.68756 985.0 8.9 8.6 5.8
51 3 1 2 27.231 54.461 1.68341 514.7 4.6 4.5 5.8
52 0 0 4 27.734 55.468 1.65522 443.4 4.0 3.9 5.8
53 1 1 -4 27.8 55.599 1.65162 278.2 2.5 2.4 5.8
54 4 1 -2 27.838 55.677 1.6495 199.5 1.8 1.7 5.8
55 2 0 -4 28.078 56.156 1.63654 174.0 1.6 1.5 5.8
56 2 4 0 28.129 56.259 1.6338 604.4 5.4 5.3 5.8
57 0 1 4 28.479 56.958 1.6154 475.8 4.3 4.2 5.8
58 1 4 -2 28.541 57.082 1.61219 121.8 1.1 1.1 5.8
59 3 3 -2 28.604 57.207 1.60895 681.9 6.1 6.0 5.8
60 2 1 -4 28.817 57.635 1.59803 725.1 6.5 6.3 5.8
61 2 2 3 29.85 59.7 1.54758 545.5 4.9 4.7 5.8
62 1 2 -4 29.995 59.99 1.54078 498.2 4.5 4.3 5.8
63 4 2 -2 30.032 60.064 1.53906 127.6 1.2 1.1 5.8
64 2 4 -2 30.278 60.556 1.52774 303.7 2.7 2.6 5.8
65 3 1 -4 31.427 62.853 1.47731 303.3 2.7 2.6 5.9
66 4 2 1 31.724 63.449 1.46487 327.6 3.0 2.8 5.9
67 3 0 3 32.133 64.265 1.44822 224.6 2.0 1.9 5.9
68 3 4 0 32.203 64.407 1.44538 349.4 3.2 3.0 5.9
69 4 3 -1 32.337 64.674 1.44005 436.4 3.9 3.8 5.9
70 1 4 -3 32.608 65.216 1.42938 582.4 5.3 5.0 5.9
71 1 2 4 32.856 65.712 1.41979 1034.1 9.3 8.9 5.9
72 3 3 2 32.949 65.898 1.41624 1339.9 12.1 11.6 5.9
73 1 5 1 33.31 66.619 1.40264 284.1 2.6 2.4 5.9
74 1 3 -4 33.458 66.916 1.39715 773.8 7.0 6.7 5.9
75 3 4 -2 33.513 67.025 1.39513 574.3 5.2 4.9 5.9
76 4 1 2 33.641 67.281 1.39044 429.9 3.9 3.7 5.9
77 2 0 4 33.856 67.711 1.38265 579.3 5.2 5.0 5.9
78 3 4 1 34.093 68.186 1.37419 192.0 1.7 1.6 5.9
79 5 1 0 34.417 68.833 1.36283 405.5 3.7 3.5 5.9
80 1 4 3 34.678 69.355 1.35384 154.0 1.4 1.3 5.9
81 0 5 2 34.713 69.426 1.35264 786.1 7.1 6.7 5.9
82 1 1 -5 35.291 70.583 1.33328 212.6 1.9 1.8 5.9
83 4 1 -4 35.431 70.862 1.3287 654.7 5.9 5.6 5.9
84 5 0 -3 36.102 72.205 1.30727 137.7 1.2 1.2 5.9
85 1 3 4 36.173 72.347 1.30505 124.2 1.1 1.1 5.9
86 5 0 1 36.268 72.536 1.30211 218.7 2.0 1.9 5.9
87 5 2 -2 36.301 72.602 1.30109 619.6 5.6 5.3 6.0
88 2 5 -2 36.359 72.718 1.29929 713.3 6.4 6.1 6.0
89 3 4 -3 36.623 73.245 1.29125 170.1 1.5 1.4 6.0
90 3 3 -4 36.769 73.538 1.28682 855.5 7.7 7.3 6.0
91 4 4 0 37.491 74.981 1.2656 203.1 1.8 1.7 6.0
92 2 4 3 37.904 75.807 1.25384 194.6 1.8 1.6 6.0
93 3 5 -1 37.947 75.894 1.25263 327.9 3.0 2.8 6.0
94 1 4 -4 38.033 76.066 1.25022 154.7 1.4 1.3 6.0
95 4 4 -2 38.066 76.132 1.2493 210.1 1.9 1.8 6.0
96 0 6 0 38.587 77.175 1.235 776.4 7.0 6.6 6.0
97 2 5 2 38.99 77.981 1.22424 662.5 6.0 5.6 6.0
98 5 3 0 39.576 79.153 1.20903 538.7 4.9 4.5 6.0
99 3 5 1 39.9 79.799 1.20085 127.0 1.1 1.1 6.0
100 1 4 4 40.629 81.259 1.18293 206.8 1.9 1.7 6.1
101 5 1 -4 40.686 81.371 1.18157 168.0 1.5 1.4 6.1
102 2 3 -5 40.947 81.895 1.17535 427.6 3.9 3.6 6.1
103 6 0 -2 41.09 82.181 1.17197 289.7 2.6 2.4 6.1
104 0 3 5 41.302 82.604 1.16704 290.0 2.6 2.4 6.1
105 3 2 4 41.411 82.822 1.16452 375.3 3.4 3.1 6.1
106 2 6 0 41.461 82.923 1.16336 442.3 4.0 3.7 6.1
107 2 1 5 42.366 84.732 1.14308 112.8 1.0 0.9 6.1
108 6 1 0 42.433 84.867 1.14161 409.1 3.7 3.4 6.1
109 5 2 2 42.794 85.588 1.13383 115.1 1.0 1.0 6.1
110 4 5 0 43.147 86.294 1.12635 337.2 3.0 2.8 6.1
111 2 0 -6 43.282 86.564 1.12353 482.9 4.4 4.0 6.1
112 4 5 -2 43.705 87.411 1.11481 173.9 1.6 1.4 6.2
113 5 4 -2 43.863 87.727 1.11161 240.2 2.2 2.0 6.2
114 2 4 4 44.041 88.081 1.10805 344.4 3.1 2.8 6.2
115 0 5 4 44.239 88.477 1.10411 198.1 1.8 1.6 6.2
116 0 0 6 44.271 88.541 1.10348 144.8 1.3 1.2 6.2
117 2 5 -4 44.523 89.047 1.09852 307.1 2.8 2.5 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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