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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POLKANOVITE
1, syn, f-polladoarsenite
Rh(12)As(7)
Hexagonal P 6(3)/m Z = 1
P6(3)/m
5 .6 .1908
Ref.Str.:
Pivan J.Y., Guerin R., Sergent M. (1985)
* J. Less-Common Metals, 107, 249-258
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.297 alpha = 90.0
b = 9.297 beta = 90.0
c = 3.657 gamma = 120.0
Unit cell volume (cub. angs.) = 273.74
Molar volume ( cub.cm/mol.) = 164.88
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3797 0.8644 0.25 0.0 Rh = 1.00
2 0.2347 0.2436 0.25 0.0 Rh = 1.00
3 0.4466 0.1608 0.25 0.0 As = 1.00
4 0.0 0.0 0.133 0.0 As = 0.25, As = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3797 0.8644 0.25
2 2 0.2347 0.2436 0.25
3 3 0.4466 0.1608 0.25
4 4 0.0 0.0 0.133
5 1 0.1356 0.5153 0.25
6 1 0.4847 0.6203 0.25
7 2 0.7564 0.9911 0.25
8 2 0.0089 0.7653 0.25
9 3 0.8392 0.2858 0.25
10 3 0.7142 0.5534 0.25
11 1 0.6203 0.1356 0.75
12 2 0.7653 0.7564 0.75
13 3 0.5534 0.8392 0.75
14 4 0.0 0.0 0.633
15 1 0.8644 0.4847 0.75
16 1 0.5153 0.3797 0.75
17 2 0.2436 0.0089 0.75
18 2 0.9911 0.2347 0.75
19 3 0.1608 0.7142 0.75
20 3 0.2858 0.4466 0.75
21 4 0.0 0.0 0.367
22 4 0.0 0.0 0.867
X-ray density (g/cm cub.) = 10.67
MU (1/cm) = 1717.975 Mass attenuation coefficient (cm**2/g) = 161.03
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Rh 3.192 5
2.5033 3
2.5268 3
2.5268 3
2.5677 3
2.5677 3
2 Rh 3.192 9
2.4475 3
2.2653 4
2.6287 4
3.1686 4
2.4969 3
2.4969 3
2.2653 4
3.1686 4
2.6287 4
3 As 4.584 16
3.657 3
3.657 3
3.6675 4
3.2298 3
3.2298 3
4.0296 3
4.0296 3
3.9024 4
4.2847 4
4.0755 3
4.0755 3
4.0757 3
4.0757 3
3.6675 4
4.2847 4
3.9024 4
4 As ,As 4.584 18
3.6675 3
3.657 4
3.657 4
3.6674 3
3.6674 3
4.2847 3
3.9024 3
1.8285 4
1.8285 4
4.2846 3
3.9024 3
4.2847 3
3.9024 3
4.5127 4
0.8557 4
2.8013 4
2.6842 4
0.9728 4
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 0 5.49 10.98 0.062 215.54 6 2.3 9.0
2 1 1 0 9.538 19.076 0.108 69.91 6 32.2 578.7
3 2 0 0 11.031 22.062 0.124 51.73 6 9.2 35.0
4 1 0 1 13.376 26.752 0.15 34.52 12 42.2 983.0
5 1 2 0 14.662 29.324 0.164 28.4 6 3.6 2.9
6 2 1 0 14.662 29.324 0.164 28.4 6 2.5 1.4
7 1 1 1 15.545 31.091 0.174 25.05 12 22.5 203.7
8 2 0 1 16.533 33.066 0.185 21.93 12 54.4 1039.1
9 3 0 0 16.679 33.358 0.186 21.51 6 62.8 679.1
10 1 2 1 19.226 38.452 0.214 15.76 12 188.8 8991.9
11 2 1 1 19.226 38.452 0.214 15.76 12 295.5 22031.6
12 2 2 0 19.354 38.709 0.215 15.53 6 157.5 3085.3
13 1 3 0 20.178 40.357 0.224 14.15 6 53.6 325.7
14 3 1 0 20.178 40.357 0.224 14.15 6 247.4 6933.7
15 3 0 1 20.855 41.71 0.231 13.15 12 196.7 8148.4
16 4 0 0 22.5 45.0 0.248 11.09 6 158.0 2215.6
17 2 2 1 23.121 46.243 0.255 10.42 12 177.4 5254.5
18 1 3 1 23.839 47.678 0.262 9.73 12 64.4 646.2
19 3 1 1 23.839 47.678 0.262 9.73 12 105.6 1738.3
20 2 3 0 24.646 49.293 0.271 9.02 6 65.8 312.6
21 3 2 0 24.646 49.293 0.271 9.02 6 38.1 104.7
22 0 0 2 24.914 49.829 0.273 8.8 2 521.9 6395.6
23 1 0 2 25.594 51.188 0.28 8.28 12 21.8 62.8
24 4 0 1 25.901 51.802 0.284 8.05 12 90.5 1057.1
25 1 4 0 26.003 52.006 0.285 7.98 6 320.2 6552.9
26 4 1 0 26.003 52.006 0.285 7.98 6 60.6 234.9
27 1 1 2 26.916 53.832 0.294 7.38 12 43.7 225.8
28 2 0 2 27.56 55.12 0.3 6.99 12 26.5 78.8
29 2 3 1 27.852 55.704 0.303 6.83 12 103.0 1159.1
30 3 2 1 27.852 55.704 0.303 6.83 12 47.0 241.0
31 5 0 0 28.578 57.155 0.311 6.44 6 68.1 239.1
32 1 4 1 29.103 58.207 0.316 6.18 12 16.7 27.6
33 4 1 1 29.103 58.207 0.316 6.18 12 19.2 36.5
34 1 2 2 29.437 58.873 0.319 6.02 12 16.1 25.0
35 2 1 2 29.437 58.873 0.319 6.02 12 14.7 20.9
36 3 3 0 29.809 59.619 0.323 5.86 6 27.6 35.7
37 2 4 0 30.414 60.827 0.329 5.6 6 162.0 1177.0
38 4 2 0 30.414 60.827 0.329 5.6 6 57.6 148.6
39 3 0 2 30.647 61.293 0.331 5.51 12 68.7 416.6
40 5 0 1 31.512 63.023 0.339 5.18 12 12.9 13.7
41 1 5 0 32.186 64.372 0.346 4.94 6 143.2 812.0
42 5 1 0 32.186 64.372 0.346 4.94 6 36.0 51.3
43 2 2 2 32.412 64.823 0.348 4.87 12 145.8 1656.5
44 3 3 1 32.677 65.353 0.35 4.78 12 63.2 305.8
45 1 3 2 32.988 65.977 0.353 4.69 12 25.7 49.8
46 3 1 2 32.988 65.977 0.353 4.69 12 182.7 2506.3
47 2 4 1 33.251 66.502 0.356 4.61 12 98.9 722.2
48 4 2 1 33.251 66.502 0.356 4.61 12 86.0 545.6
49 4 0 2 34.689 69.379 0.369 4.22 12 113.3 866.9
50 1 5 1 34.946 69.891 0.372 4.16 12 135.9 1229.2
51 5 1 1 34.946 69.891 0.372 4.16 12 10.2 6.9
52 6 0 0 35.031 70.062 0.373 4.14 6 42.5 60.0
53 3 4 0 35.587 71.174 0.378 4.01 6 6.4 1.3
54 4 3 0 35.587 71.174 0.378 4.01 6 90.8 264.8
55 2 3 2 36.353 72.706 0.385 3.85 12 72.5 323.7
56 3 2 2 36.353 72.706 0.385 3.85 12 48.9 147.3
57 2 5 0 36.688 73.376 0.388 3.78 6 132.2 528.8
58 5 2 0 36.688 73.376 0.388 3.78 6 179.6 976.5
59 1 4 2 37.445 74.891 0.395 3.64 12 254.2 3765.6
60 4 1 2 37.445 74.891 0.395 3.64 12 34.2 68.3
61 6 0 1 37.694 75.388 0.397 3.6 12 19.1 21.1
62 3 4 1 38.235 76.469 0.402 3.51 12 14.0 11.1
63 4 3 1 38.235 76.469 0.402 3.51 12 80.7 365.4
64 1 6 0 38.855 77.71 0.407 3.41 6 112.5 345.8
65 6 1 0 38.855 77.71 0.407 3.41 6 61.1 102.0
66 2 5 1 39.309 78.618 0.411 3.35 12 52.5 147.7
67 5 2 1 39.309 78.618 0.411 3.35 12 333.2 5950.3
68 5 0 2 39.598 79.197 0.414 3.31 12 41.9 92.9
69 1 0 3 39.724 79.449 0.415 3.29 12 27.3 39.2
70 3 3 2 40.663 81.325 0.423 3.18 12 40.2 82.2
71 1 1 3 40.788 81.576 0.424 3.16 12 14.8 11.1
72 2 4 2 41.192 82.385 0.427 3.12 12 156.3 1220.2
73 4 2 2 41.192 82.385 0.427 3.12 12 33.0 54.4
74 2 0 3 41.317 82.635 0.429 3.1 12 37.8 70.9
75 1 6 1 41.435 82.869 0.43 3.09 12 33.0 53.8
76 6 1 1 41.435 82.869 0.43 3.09 12 49.8 123.0
77 4 4 0 41.515 83.031 0.43 3.08 6 82.8 169.2
78 3 5 0 42.043 84.086 0.435 3.03 6 139.9 475.4
79 5 3 0 42.043 84.086 0.435 3.03 6 11.1 3.0
80 7 0 0 42.043 84.086 0.435 3.03 6 85.3 176.6
81 1 5 2 42.775 85.549 0.441 2.97 12 140.7 942.5
82 5 1 2 42.775 85.549 0.441 2.97 12 15.8 11.9
83 1 2 3 42.899 85.798 0.442 2.96 12 133.6 846.5
84 2 1 3 42.899 85.798 0.442 2.96 12 208.6 2064.2
85 2 6 0 43.621 87.242 0.448 2.91 6 32.8 25.1
86 6 2 0 43.621 87.242 0.448 2.91 6 51.5 61.9
87 3 0 3 43.949 87.899 0.45 2.89 12 141.4 924.3
88 4 4 1 44.066 88.131 0.451 2.88 12 15.7 11.4
89 3 5 1 44.59 89.181 0.456 2.85 12 26.5 32.2
90 5 3 1 44.59 89.181 0.456 2.85 12 75.1 257.6
91 7 0 1 44.59 89.181 0.456 2.85 12 1.6 0.1
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 1 0 9.538 19.076 4.6485 578.7 1.9 1.9 5.6
2 1 0 1 13.376 26.752 3.32964 983.0 3.2 3.2 5.6
3 2 0 1 16.533 33.066 2.70688 1039.1 3.3 3.4 5.6
4 3 0 0 16.679 33.358 2.68381 679.1 2.2 2.2 5.7
5 2 1 1 19.226 38.452 2.33918 31023.5 100.0 100.0 5.7
6 2 2 0 19.354 38.709 2.32425 3085.3 9.9 9.9 5.7
7 3 1 0 20.178 40.357 2.23307 7259.4 23.4 23.4 5.7
8 3 0 1 20.855 41.71 2.16367 8148.4 26.3 26.2 5.7
9 4 0 0 22.5 45.0 2.01286 2215.6 7.1 7.1 5.7
10 2 2 1 23.121 46.243 1.96159 5254.5 16.9 16.8 5.7
11 3 1 1 23.839 47.678 1.90585 2384.5 7.7 7.6 5.7
12 2 3 0 24.646 49.293 1.84713 417.2 1.3 1.3 5.7
13 0 0 2 24.914 49.829 1.8285 6395.6 20.6 20.4 5.7
14 4 0 1 25.901 51.802 1.76339 1057.1 3.4 3.4 5.8
15 1 4 0 26.003 52.006 1.75697 6787.8 21.9 21.6 5.8
16 2 3 1 27.852 55.704 1.64875 1400.2 4.5 4.4 5.8
17 2 4 0 30.414 60.827 1.52158 1325.6 4.3 4.2 5.8
18 3 0 2 30.647 61.293 1.51112 416.6 1.3 1.3 5.8
19 1 5 0 32.186 64.372 1.44608 863.3 2.8 2.7 5.9
20 2 2 2 32.412 64.823 1.43709 1656.5 5.3 5.2 5.9
21 3 1 2 32.988 65.977 1.41473 2556.1 8.2 8.0 5.9
22 2 4 1 33.251 66.502 1.40483 1267.8 4.1 3.9 5.9
23 4 0 2 34.689 69.379 1.35344 866.9 2.8 2.7 5.9
24 1 5 1 34.946 69.891 1.34476 1236.1 4.0 3.8 5.9
25 2 3 2 36.353 72.706 1.29948 471.0 1.5 1.4 6.0
26 5 2 0 36.688 73.376 1.28926 1505.4 4.9 4.6 6.0
27 1 4 2 37.445 74.891 1.2669 3833.9 12.4 11.7 6.0
28 4 3 1 38.235 76.469 1.24463 376.5 1.2 1.1 6.0
29 1 6 0 38.855 77.71 1.22783 447.8 1.4 1.4 6.0
30 5 2 1 39.309 78.618 1.21591 6098.0 19.7 18.5 6.0
31 2 4 2 41.192 82.385 1.16959 1274.6 4.1 3.8 6.1
32 3 5 0 42.043 84.086 1.15021 655.0 2.1 2.0 6.1
33 1 5 2 42.775 85.549 1.13424 954.5 3.1 2.9 6.1
34 2 1 3 42.899 85.798 1.13159 2910.7 9.4 8.7 6.1
35 3 0 3 43.949 87.899 1.10988 924.3 3.0 2.7 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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