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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ERMAKOVITE
1, t-lucabindiite
[NH(4)][As(2)O(3)](2)Br
Hexagonal P 6/mmm Z = 1
R =0.0237 NR =96
25 .10 .24
Ref.Str.:
Karpenko V.Yu., Pautov L.A., Siidra O.I., Mirakov Mirak A.,
Zaitsev A.N., Plechov P.Yu., Makhmadsharif S. (2023)
* Mineral. Mag., 87(1), 69-78, doi:10.1180/mgm.2022.116
L: $(NH4)0.92 Na0.01 As3.94 Sb0.06 O6.02 Br0.97 Cl0.08 I0.01$
R: Locality - Kukhi-Malik area, Fan-Jagnob coal deposit, Tajikistan.
IMA2020-054. See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.271 alpha = 90.0
b = 5.271 beta = 90.0
c = 9.157 gamma = 120.0
Unit cell volume (cub. angs.) = 220.33
Molar volume ( cub.cm/mol.) = 132.71
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 NH(4) = 0.99, Na = 0.01
2 0.6667 0.3333 0.2969 0.0 As = 0.99, Sb = 0.01
3 0.5 0.5 0.1912 0.0 O = 1.00
4 0.0 0.0 0.5 0.0 Br = 0.97, Cl = 0.02, I = 0.01
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.6667 0.3333 0.2969
3 3 0.5 0.5 0.1912
4 4 0.0 0.0 0.5
5 3 0.5 0.0 0.1912
6 3 0.0 0.5 0.1912
7 2 0.3333 0.6667 0.2969
8 2 0.6667 0.3333 0.7031
9 3 0.5 0.5 0.8088
10 3 0.5 0.0 0.8088
11 3 0.0 0.5 0.8088
12 2 0.3333 0.6667 0.7031
X-ray density (g/cm cub.) = 3.74
MU (1/cm) = 271.263 Mass attenuation coefficient (cm**2/g) = 72.579
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 NH(4),Na 4.2 12
3.1641 3
3.1641 3
3.1641 3
3.1641 3
3.1641 3
3.1641 3
3.1641 3
3.1641 3
3.1641 3
3.1641 3
3.1641 3
3.1641 3
2 As ,Sb 3.72 6
1.8033 3
3.5666 4
3.5666 4
3.5666 4
1.8032 3
1.8032 3
3 O 4.272 7
3.8654 4
3.8654 4
2.6355 3
2.6355 3
2.6355 3
2.6355 3
3.5016 3
4 Br ,Cl ,I 5.28 18
3.8654 3
3.8654 3
5.271 4
5.271 4
5.271 4
5.271 4
5.271 4
5.271 4
3.8654 3
3.8654 3
3.8654 3
3.8654 3
3.8654 3
3.8654 3
3.8654 3
3.8654 3
3.8654 3
3.8654 3
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 0 0 1 4.825 9.651 0.055 279.66 2 46.0 2441.7
2 0 0 2 9.685 19.371 0.109 67.74 2 92.2 2371.2
3 1 0 0 9.715 19.429 0.11 67.32 6 35.8 1065.1
4 1 0 1 10.868 21.736 0.122 53.36 12 12.9 220.8
5 1 0 2 13.785 27.57 0.155 32.38 12 89.4 6392.2
6 0 0 3 14.617 29.234 0.164 28.58 2 26.3 81.3
7 1 1 0 16.994 33.988 0.19 20.66 6 123.9 3919.6
8 1 0 3 17.673 35.345 0.197 18.97 12 51.6 1248.8
9 1 1 1 17.706 35.412 0.197 18.89 12 56.1 1469.9
10 0 0 4 19.662 39.325 0.218 14.99 2 71.3 313.7
11 1 1 2 19.708 39.417 0.219 14.91 12 44.0 712.9
12 2 0 0 19.724 39.447 0.219 14.89 6 13.0 31.2
13 2 0 1 20.353 40.707 0.226 13.88 12 4.1 5.7
14 1 0 4 22.112 44.224 0.244 11.53 12 9.8 27.5
15 2 0 2 22.154 44.308 0.245 11.48 12 46.6 616.5
16 1 1 3 22.715 45.429 0.251 10.85 12 60.8 990.2
17 0 0 5 24.872 49.744 0.273 8.83 2 85.2 263.9
18 2 0 3 24.923 49.846 0.274 8.79 12 79.8 1383.6
19 1 1 4 26.467 52.935 0.289 7.67 12 60.1 684.2
20 2 1 0 26.516 53.032 0.29 7.63 12 26.4 131.4
21 1 0 5 26.948 53.896 0.294 7.36 12 16.1 47.2
22 2 1 1 27.02 54.041 0.295 7.31 24 10.0 36.3
23 2 0 4 28.461 56.922 0.309 6.5 12 11.5 21.4
24 2 1 2 28.496 56.992 0.31 6.48 24 67.8 1472.7
25 0 0 6 30.312 60.625 0.328 5.64 2 55.3 71.1
26 3 0 0 30.413 60.826 0.329 5.6 6 101.7 716.4
27 1 1 5 30.809 61.618 0.332 5.44 12 109.5 1613.3
28 2 1 3 30.853 61.706 0.333 5.42 24 44.6 534.5
29 3 0 1 30.875 61.75 0.333 5.42 12 46.0 282.7
30 1 0 6 32.153 64.305 0.345 4.95 12 12.1 17.9
31 3 0 2 32.239 64.478 0.346 4.93 12 38.5 180.8
32 2 0 5 32.633 65.266 0.35 4.8 12 42.4 213.5
33 2 1 4 33.99 67.98 0.363 4.4 24 7.8 13.3
34 3 0 3 34.447 68.894 0.367 4.28 12 49.3 256.7
35 1 1 6 35.678 71.356 0.379 3.99 12 34.6 117.8
36 2 2 0 35.771 71.541 0.379 3.97 6 120.7 714.7
37 0 0 7 36.074 72.149 0.382 3.9 2 40.4 26.3
38 2 2 1 36.197 72.394 0.383 3.88 12 33.5 107.5
39 2 0 6 37.384 74.768 0.394 3.65 12 26.5 63.1
40 3 0 4 37.434 74.869 0.395 3.64 12 51.3 236.6
41 2 2 2 37.465 74.929 0.395 3.64 12 54.5 267.0
42 3 1 0 37.475 74.949 0.395 3.63 12 21.7 42.2
43 1 0 7 37.773 75.546 0.398 3.58 12 47.8 202.7
44 2 1 5 37.833 75.667 0.398 3.57 24 14.2 35.8
45 3 1 1 37.894 75.787 0.399 3.56 24 8.8 13.6
46 3 1 2 39.142 78.284 0.41 3.37 24 57.6 551.7
47 2 2 3 39.545 79.091 0.413 3.31 12 24.2 47.9
48 1 1 7 41.1 82.201 0.427 3.13 12 50.0 193.4
49 3 0 5 41.159 82.319 0.427 3.12 12 94.6 691.2
50 3 1 3 41.199 82.397 0.428 3.12 24 39.9 245.7
51 0 0 8 42.295 84.591 0.437 3.01 2 45.6 25.8
52 2 1 6 42.364 84.728 0.437 3.01 24 11.0 17.9
53 2 2 4 42.413 84.826 0.438 3.0 12 50.1 186.3
54 4 0 0 42.452 84.904 0.438 3.0 6 2.2 0.2
55 2 0 7 42.742 85.483 0.441 2.97 12 56.7 236.6
56 4 0 1 42.859 85.717 0.442 2.97 12 0.5 0.0
57 1 0 8 43.931 87.861 0.45 2.89 12 50.9 185.0
58 3 1 4 44.048 88.095 0.451 2.88 24 7.0 7.0
59 4 0 2 44.077 88.154 0.452 2.88 12 38.0 103.0
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 0 0 1 4.825 9.651 9.157 2441.7 38.2 38.7 5.6
2 0 0 2 9.685 19.371 4.5785 2371.2 37.1 37.3 5.6
3 1 0 0 9.715 19.429 4.56482 1065.1 16.7 16.8 5.6
4 1 0 1 10.868 21.736 4.08534 220.8 3.5 3.5 5.6
5 1 0 2 13.785 27.57 3.23264 6392.2 100.0 100.0 5.6
6 0 0 3 14.617 29.234 3.05233 81.3 1.3 1.3 5.6
7 1 1 0 16.994 33.988 2.6355 3919.6 61.3 61.0 5.7
8 1 0 3 17.673 35.345 2.53735 1248.8 19.5 19.4 5.7
9 1 1 1 17.706 35.412 2.53269 1469.9 23.0 22.8 5.7
10 0 0 4 19.662 39.325 2.28925 313.7 4.9 4.9 5.7
11 1 1 2 19.708 39.417 2.28411 744.1 11.6 11.5 5.7
12 2 0 2 22.154 44.308 2.04267 616.5 9.6 9.5 5.7
13 1 1 3 22.715 45.429 1.9948 990.2 15.5 15.2 5.7
14 0 0 5 24.872 49.744 1.8314 263.9 4.1 4.0 5.7
15 2 0 3 24.923 49.846 1.82789 1383.6 21.6 21.2 5.7
16 1 1 4 26.467 52.935 1.72829 684.2 10.7 10.4 5.8
17 2 1 0 26.516 53.032 1.72534 131.4 2.1 2.0 5.8
18 2 1 2 28.496 56.992 1.61451 1472.7 23.0 22.3 5.8
19 0 0 6 30.312 60.625 1.52617 71.1 1.1 1.1 5.8
20 3 0 0 30.413 60.826 1.52161 716.4 11.2 10.8 5.8
21 1 1 5 30.809 61.618 1.50394 1613.3 25.2 24.3 5.8
22 2 1 3 30.853 61.706 1.50199 817.3 12.8 12.3 5.8
23 3 0 2 32.239 64.478 1.44395 180.8 2.8 2.7 5.9
24 2 0 5 32.633 65.266 1.42841 213.5 3.3 3.2 5.9
25 3 0 3 34.447 68.894 1.36178 256.7 4.0 3.8 5.9
26 1 1 6 35.678 71.356 1.32071 117.8 1.8 1.7 5.9
27 2 2 0 35.771 71.541 1.31775 714.7 11.2 10.6 5.9
28 2 2 1 36.197 72.394 1.30431 107.5 1.7 1.6 5.9
29 3 0 4 37.434 74.869 1.26722 236.6 3.7 3.5 6.0
30 2 2 2 37.465 74.929 1.26634 309.3 4.8 4.6 6.0
31 1 0 7 37.773 75.546 1.25753 202.7 3.2 3.0 6.0
32 3 1 2 39.142 78.284 1.22026 551.7 8.6 8.1 6.0
33 1 1 7 41.1 82.201 1.17174 193.4 3.0 2.8 6.1
34 3 0 5 41.159 82.319 1.17036 691.2 10.8 10.0 6.1
35 3 1 3 41.199 82.397 1.16945 245.7 3.8 3.6 6.1
36 2 2 4 42.413 84.826 1.14206 186.3 2.9 2.7 6.1
37 2 0 7 42.742 85.483 1.13495 236.6 3.7 3.4 6.1
38 1 0 8 43.931 87.861 1.11025 185.0 2.9 2.6 6.2
39 4 0 2 44.077 88.154 1.10733 110.0 1.7 1.6 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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