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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LUOGUFENGITE
1, nano-mineral
Fe(2)O(3)
Orthorhombic P na2(1) Z = 8
Pna2(1)
30 .3 .17
Ref.Str.:
Huifang Xu, Seungyeol Lee, Hongwu Xu (2017)
* Amer. Mineral., 102, 711-719
L: Fe3.53 Al0.47 Mg0.04 Ti0.06 O6$
R: Locality - late Pleistocene basaltic scoria from the Menan Volcanic Complex
nearby Rexburg, Idaho, USA. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.0647 alpha = 90.0
b = 8.7131 beta = 90.0
c = 9.3842 gamma = 90.0
Unit cell volume (cub. angs.) = 414.12
Molar volume ( cub.cm/mol.) = 31.18
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1941 0.1569 0.5789 0.0 Fe = 1.00
2 0.6844 0.0228 0.7893 0.0 Fe = 1.00
3 0.1878 0.1531 0.0 0.0 Fe = 0.73, Al = 0.27
4 0.8081 0.1602 0.3044 0.0 Fe = 0.8 , Al = 0.2
5 0.9812 0.3356 0.4396 0.0 O = 1.00
6 0.5106 0.4953 0.4154 0.0 O = 1.00
7 0.6477 0.9869 0.1961 0.0 O = 1.00
8 0.1569 0.1568 0.1902 0.0 O = 1.00
9 0.8325 0.1705 0.6651 0.0 O = 1.00
10 0.5391 0.1717 0.9423 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1941 0.1569 0.5789
2 2 0.6844 0.0228 0.7893
3 3 0.1878 0.1531 0.0
4 4 0.8081 0.1602 0.3044
5 5 0.9812 0.3356 0.4396
6 6 0.5106 0.4953 0.4154
7 7 0.6477 0.9869 0.1961
8 8 0.1569 0.1568 0.1902
9 9 0.8325 0.1705 0.6651
10 10 0.5391 0.1717 0.9423
11 1 0.8059 0.8431 0.0789
12 2 0.3156 0.9772 0.2893
13 3 0.8122 0.8469 0.5
14 4 0.1919 0.8398 0.8044
15 5 0.0188 0.6644 0.9396
16 6 0.4894 0.5047 0.9154
17 7 0.3523 0.0131 0.6961
18 8 0.8431 0.8432 0.6902
19 9 0.1675 0.8295 0.1651
20 10 0.4609 0.8283 0.4423
21 1 0.3059 0.6569 0.0789
22 2 0.8156 0.5228 0.2893
23 3 0.3122 0.6531 0.5
24 4 0.6919 0.6602 0.8044
25 5 0.5188 0.8356 0.9396
26 6 0.9894 0.9953 0.9154
27 7 0.8523 0.4869 0.6961
28 8 0.3431 0.6568 0.6902
29 9 0.6675 0.6705 0.1651
30 10 0.9609 0.6717 0.4423
31 1 0.6941 0.3431 0.5789
32 2 0.1844 0.4772 0.7893
33 3 0.6878 0.3469 0.0
34 4 0.3081 0.3398 0.3044
35 5 0.4812 0.1644 0.4396
36 6 0.0106 0.0047 0.4154
37 7 0.1477 0.5131 0.1961
38 8 0.6569 0.3432 0.1902
39 9 0.3325 0.3295 0.6651
40 10 0.0391 0.3283 0.9423
X-ray density (g/cm cub.) = 4.9
MU (1/cm) = 209.505 Mass attenuation coefficient (cm**2/g) = 42.726
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.3013 5
2.0056 9
1.8497 7
1.9564 5
2.2308 6
1.8459 9
2 Fe 2.592 6
1.8914 9
2.0703 10
1.8977 7
1.9899 8
2.3137 5
1.9606 6
3 Fe ,Al 2.592 4
1.792 8
1.8668 10
1.8789 6
1.7862 10
4 Fe ,Al 2.592 6
2.1712 5
1.9932 7
2.0664 8
2.0862 5
1.9931 6
2.0682 8
5 O 3.264 12
3.0293 6
2.7692 6
2.949 8
2.6673 9
2.821 7
2.9304 10
2.939 5
2.939 5
2.8959 6
2.8852 7
2.86 8
2.7652 9
6 O 3.264 12
2.7692 5
3.0293 5
2.9233 10
3.1526 7
3.0578 8
2.9119 9
2.7618 10
3.1902 10
2.8959 5
2.7636 7
2.6022 8
2.8968 9
7 O 3.264 12
2.9741 8
2.8937 8
2.9271 10
2.9827 9
2.8072 9
2.8535 10
2.821 5
3.1526 6
2.7739 9
2.8852 5
2.7636 6
3.1053 8
8 O 3.264 12
2.949 5
2.8937 7
2.9741 7
3.0292 10
2.862 9
3.0578 6
2.86 5
2.6022 6
3.1053 7
3.0084 8
3.0084 8
2.8286 10
9 O 3.264 12
2.6673 5
2.9958 10
2.9827 7
2.8072 7
2.862 8
2.9119 6
2.7739 7
2.7652 5
2.8968 6
2.8865 9
2.8865 9
3.1228 10
10 O 3.264 12
2.9271 7
3.0292 8
2.9958 9
2.9233 6
2.8535 7
2.9304 5
2.7618 6
3.1902 6
2.8286 8
3.1228 9
2.8766 10
2.8766 10
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 1 1 8.053 16.105 0.078 98.97 4 33.4 257.9
2 0 0 2 10.99 21.979 0.107 52.14 2 26.2 41.7
3 1 1 0 11.787 23.574 0.114 45.05 4 13.3 18.5
4 0 2 0 11.848 23.696 0.115 44.56 2 9.4 4.6
5 1 1 1 13.027 26.055 0.126 36.5 8 24.9 105.5
6 1 2 0 15.713 31.426 0.151 24.48 4 53.6 164.0
7 1 1 2 16.225 32.45 0.156 22.84 8 44.3 209.5
8 0 2 2 16.27 32.54 0.157 22.7 4 117.2 727.7
9 1 2 1 16.685 33.369 0.16 21.5 8 26.0 68.0
10 0 1 3 17.687 35.374 0.17 18.93 4 146.6 949.6
11 0 3 1 18.807 37.614 0.18 16.54 4 30.5 35.8
12 1 2 2 19.341 38.682 0.185 15.55 8 191.7 2666.2
13 1 1 3 20.574 41.148 0.196 13.55 8 81.1 416.3
14 2 0 0 20.684 41.368 0.197 13.39 2 180.7 510.0
15 1 3 0 20.794 41.589 0.198 13.23 4 77.0 183.1
16 2 0 1 21.46 42.92 0.205 12.33 4 101.4 296.0
17 1 3 1 21.567 43.134 0.205 12.2 8 120.2 822.2
18 2 1 0 21.582 43.164 0.206 12.18 4 53.7 82.0
19 2 1 1 22.332 44.665 0.212 11.28 8 20.0 21.1
20 0 0 4 22.412 44.824 0.213 11.19 2 115.3 173.5
21 1 2 3 23.194 46.387 0.22 10.35 8 65.5 207.4
22 2 0 2 23.664 47.328 0.224 9.89 4 82.1 155.4
23 1 3 2 23.763 47.527 0.225 9.8 8 92.6 391.5
24 2 2 0 24.114 48.228 0.228 9.48 4 14.6 4.7
25 0 4 0 24.244 48.489 0.23 9.36 2 83.7 76.5
26 2 1 2 24.475 48.95 0.232 9.16 8 95.9 392.8
27 2 2 1 24.804 49.609 0.235 8.89 8 17.4 12.5
28 0 3 3 24.85 49.701 0.235 8.85 4 10.5 2.3
29 1 1 4 25.629 51.257 0.242 8.25 8 22.6 19.6
30 0 2 4 25.66 51.32 0.242 8.23 4 21.3 8.7
31 1 4 0 26.551 53.102 0.25 7.61 4 65.1 75.2
32 2 2 2 26.797 53.595 0.252 7.45 8 55.3 106.2
33 0 4 2 26.918 53.837 0.253 7.38 4 115.5 229.6
34 2 0 3 27.03 54.059 0.254 7.31 4 75.6 97.4
35 1 3 3 27.12 54.24 0.255 7.25 8 88.4 264.2
36 1 4 1 27.197 54.393 0.255 7.21 8 12.7 5.4
37 2 1 3 27.769 55.537 0.26 6.87 8 92.6 275.0
38 1 2 4 27.882 55.765 0.261 6.81 8 21.6 14.9
39 2 3 0 27.945 55.89 0.262 6.78 4 35.4 19.8
40 2 3 1 28.569 57.138 0.267 6.44 8 21.8 14.3
41 1 4 2 29.075 58.149 0.272 6.19 8 81.5 192.2
42 0 1 5 29.177 58.354 0.273 6.15 4 70.7 71.7
43 2 2 3 29.913 59.825 0.279 5.81 8 57.6 89.9
44 2 3 2 30.392 60.784 0.283 5.61 8 0.9 0.0
45 1 1 5 31.232 62.465 0.29 5.28 8 29.6 21.6
46 2 0 4 31.314 62.628 0.291 5.25 4 168.1 346.1
47 1 3 4 31.397 62.793 0.291 5.22 8 91.1 201.9
48 0 5 1 31.47 62.941 0.292 5.19 4 81.2 79.8
49 2 1 4 31.99 63.98 0.296 5.01 8 23.8 13.2
50 1 4 3 32.048 64.096 0.297 4.99 8 26.6 16.4
51 3 1 0 32.661 65.323 0.302 4.79 4 27.2 8.3
52 2 4 0 32.795 65.591 0.303 4.75 4 61.6 42.0
53 1 5 0 32.876 65.751 0.303 4.72 4 9.5 1.0
54 3 1 1 33.232 66.463 0.306 4.62 8 8.0 1.4
55 1 2 5 33.24 66.481 0.306 4.61 8 19.3 8.1
56 2 3 3 33.297 66.593 0.307 4.6 8 2.0 0.1
57 2 4 1 33.365 66.729 0.307 4.58 8 10.9 2.6
58 1 5 1 33.444 66.888 0.308 4.55 8 26.3 14.7
59 2 2 4 33.974 67.948 0.312 4.41 8 26.3 14.2
60 0 4 4 34.079 68.158 0.313 4.38 4 29.2 8.7
61 0 3 5 34.571 69.142 0.317 4.25 4 46.0 21.0
62 3 2 0 34.626 69.251 0.318 4.24 4 19.8 3.9
63 0 0 6 34.882 69.765 0.32 4.17 2 104.1 52.8
64 3 1 2 34.914 69.829 0.32 4.17 8 93.0 168.2
65 2 4 2 35.044 70.088 0.321 4.13 8 62.4 75.2
66 1 5 2 35.122 70.244 0.322 4.12 8 16.7 5.3
67 3 2 1 35.18 70.36 0.322 4.1 8 45.3 39.2
68 1 4 4 35.98 71.961 0.328 3.92 8 44.3 35.9
69 0 5 3 35.984 71.968 0.328 3.92 4 175.1 280.5
70 2 0 5 36.384 72.769 0.332 3.84 4 193.2 334.3
71 1 3 5 36.461 72.922 0.332 3.82 8 232.2 961.8
72 3 2 2 36.822 73.645 0.335 3.75 8 73.5 94.6
73 2 1 5 37.014 74.029 0.337 3.72 8 43.1 32.2
74 2 3 4 37.166 74.332 0.338 3.69 8 24.2 10.1
75 1 1 6 37.393 74.786 0.339 3.65 8 24.6 10.3
76 0 2 6 37.418 74.837 0.34 3.64 4 29.8 7.6
77 3 1 3 37.644 75.287 0.341 3.6 8 37.9 24.2
78 2 4 3 37.77 75.539 0.342 3.58 8 56.1 52.7
79 3 3 0 37.794 75.588 0.343 3.58 4 280.9 658.6
80 1 5 3 37.845 75.69 0.343 3.57 8 31.9 16.9
81 0 6 0 38.02 76.041 0.344 3.54 2 279.2 321.9
82 3 3 1 38.33 76.661 0.347 3.49 8 67.5 74.2
83 2 5 0 38.541 77.082 0.348 3.46 4 21.5 3.7
84 2 2 5 38.883 77.765 0.351 3.41 8 9.8 1.5
85 2 5 1 39.074 78.148 0.352 3.38 8 47.8 36.0
86 1 2 6 39.255 78.51 0.354 3.35 8 81.5 104.0
87 3 2 3 39.502 79.004 0.356 3.32 8 122.8 233.5
88 1 6 0 39.849 79.697 0.358 3.27 4 74.4 42.2
89 3 3 2 39.925 79.851 0.359 3.26 8 14.5 3.2
90 0 6 2 40.148 80.296 0.36 3.24 4 6.9 0.4
91 1 6 1 40.377 80.754 0.362 3.21 8 22.6 7.7
92 2 5 2 40.661 81.322 0.364 3.18 8 121.6 219.2
93 1 4 5 40.798 81.597 0.365 3.16 8 22.2 7.3
94 3 1 4 41.358 82.716 0.369 3.1 8 8.7 1.1
95 2 4 4 41.481 82.962 0.37 3.09 8 24.3 8.5
96 1 5 4 41.555 83.109 0.371 3.08 8 20.0 5.8
97 2 3 5 41.942 83.884 0.374 3.04 8 28.6 11.6
98 1 6 2 41.953 83.905 0.374 3.04 8 9.4 1.2
99 3 4 0 42.092 84.183 0.375 3.03 4 29.3 6.0
100 2 0 6 42.235 84.471 0.376 3.02 4 60.9 26.1
101 1 3 6 42.309 84.617 0.376 3.01 8 48.0 32.4
102 0 1 7 42.459 84.918 0.377 3.0 4 107.5 80.8
103 3 3 3 42.552 85.103 0.378 2.99 8 9.7 1.3
104 3 4 1 42.614 85.229 0.378 2.98 8 20.8 6.0
105 2 1 6 42.841 85.683 0.38 2.97 8 36.5 18.5
106 3 2 4 43.178 86.356 0.383 2.94 8 1.6 0.0
107 2 5 3 43.279 86.559 0.383 2.93 8 115.4 182.3
108 3 4 2 44.179 88.357 0.39 2.87 8 37.6 18.9
109 1 1 7 44.249 88.498 0.39 2.87 8 96.2 123.8
110 0 5 5 44.461 88.921 0.392 2.86 4 31.2 6.5
111 1 6 3 44.561 89.122 0.392 2.85 8 2.1 0.1
112 2 2 6 44.655 89.31 0.393 2.85 8 33.2 14.6
113 0 4 6 44.752 89.505 0.394 2.84 4 29.9 5.9
114 4 0 0 44.945 89.89 0.395 2.83 2 15.6 0.8
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 1 1 8.053 16.105 6.38517 257.9 9.7 9.8 5.6
2 0 0 2 10.99 21.979 4.6921 41.7 1.6 1.6 5.6
3 1 1 1 13.027 26.055 3.968 105.5 4.0 4.0 5.6
4 1 2 0 15.713 31.426 3.30278 164.0 6.2 6.2 5.6
5 1 1 2 16.225 32.45 3.20127 209.5 7.9 7.9 5.6
6 0 2 2 16.27 32.54 3.19259 727.7 27.3 27.4 5.6
7 1 2 1 16.685 33.369 3.11546 68.0 2.5 2.6 5.7
8 0 1 3 17.687 35.374 2.94409 949.6 35.6 35.7 5.7
9 0 3 1 18.807 37.614 2.77452 35.8 1.3 1.3 5.7
10 1 2 2 19.341 38.682 2.70078 2666.2 100.0 100.0 5.7
11 1 1 3 20.574 41.148 2.5453 416.3 15.6 15.6 5.7
12 2 0 0 20.684 41.368 2.53235 510.0 19.1 19.1 5.7
13 1 3 0 20.794 41.589 2.5195 183.1 6.9 6.8 5.7
14 2 0 1 21.46 42.92 2.4449 296.0 11.1 11.1 5.7
15 1 3 1 21.567 43.134 2.43332 904.1 33.9 33.8 5.7
16 0 0 4 22.412 44.824 2.34605 173.5 6.5 6.5 5.7
17 1 2 3 23.194 46.387 2.27113 207.4 7.8 7.7 5.7
18 2 0 2 23.664 47.328 2.2285 155.4 5.8 5.8 5.7
19 1 3 2 23.763 47.527 2.21973 391.5 14.7 14.5 5.7
20 0 4 0 24.244 48.489 2.17828 76.5 2.9 2.8 5.7
21 2 1 2 24.475 48.95 2.15901 392.8 14.7 14.6 5.7
22 1 4 0 26.551 53.102 2.00105 75.2 2.8 2.8 5.8
23 2 2 2 26.797 53.595 1.984 106.2 4.0 3.9 5.8
24 0 4 2 26.918 53.837 1.97575 229.6 8.6 8.5 5.8
25 2 0 3 27.03 54.059 1.96822 97.4 3.7 3.6 5.8
26 1 3 3 27.12 54.24 1.96217 264.2 9.9 9.7 5.8
27 2 1 3 27.769 55.537 1.91985 275.0 10.3 10.1 5.8
28 1 4 2 29.075 58.149 1.84065 192.2 7.2 7.0 5.8
29 0 1 5 29.177 58.354 1.83476 71.7 2.7 2.6 5.8
30 2 2 3 29.913 59.825 1.79367 89.9 3.4 3.3 5.8
31 2 0 4 31.314 62.628 1.72101 346.1 13.0 12.6 5.8
32 1 3 4 31.397 62.793 1.71695 201.9 7.6 7.3 5.9
33 0 5 1 31.47 62.941 1.71333 79.8 3.0 2.9 5.9
34 2 4 0 32.795 65.591 1.65139 42.0 1.6 1.5 5.9
35 0 0 6 34.882 69.765 1.56403 52.8 2.0 1.9 5.9
36 3 1 2 34.914 69.829 1.56278 168.2 6.3 6.1 5.9
37 2 4 2 35.044 70.088 1.55773 75.2 2.8 2.7 5.9
38 3 2 1 35.18 70.36 1.55248 39.2 1.5 1.4 5.9
39 0 5 3 35.984 71.968 1.52233 316.3 11.9 11.3 5.9
40 2 0 5 36.384 72.769 1.50786 334.3 12.5 12.0 6.0
41 1 3 5 36.461 72.922 1.50513 961.8 36.1 34.4 6.0
42 3 2 2 36.822 73.645 1.49242 94.6 3.5 3.4 6.0
43 2 1 5 37.014 74.029 1.48577 32.2 1.2 1.2 6.0
44 3 3 0 37.794 75.588 1.45957 711.2 26.7 25.3 6.0
45 0 6 0 38.02 76.041 1.45218 321.9 12.1 11.4 6.0
46 3 3 1 38.33 76.661 1.44223 74.2 2.8 2.6 6.0
47 2 5 1 39.074 78.148 1.41905 36.0 1.4 1.3 6.0
48 1 2 6 39.255 78.51 1.41355 104.0 3.9 3.7 6.0
49 3 2 3 39.502 79.004 1.40615 233.5 8.8 8.2 6.0
50 1 6 0 39.849 79.697 1.39594 42.2 1.6 1.5 6.0
51 2 5 2 40.661 81.322 1.37275 219.2 8.2 7.7 6.1
52 1 3 6 42.309 84.617 1.32882 32.4 1.2 1.1 6.1
53 0 1 7 42.459 84.918 1.32501 80.8 3.0 2.8 6.1
54 2 5 3 43.279 86.559 1.30472 182.3 6.8 6.3 6.1
55 1 1 7 44.249 88.498 1.28187 123.8 4.6 4.3 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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