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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CLINOBISVANITE
3, syn, at 566'K, f-dreyerite
BiVO(4)
Tetragonal * I4(1)/a Z = 4
*I4(1)/a
18 .2 .11
Ref.Str.:
Sleight A.W., Chen H-Y., Ferretti A., Cox D.E. (1979)
* Materials Research Bull., 14, 1571-1581
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.147 alpha = 90.0
b = 5.147 beta = 90.0
c = 11.7216 gamma = 90.0
Unit cell volume (cub. angs.) = 310.52
Molar volume ( cub.cm/mol.) = 46.76
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.25 0.625 0.0 Bi = 1.00
2 0.0 0.25 0.125 0.0 V = 1.00
3 0.1375 0.4985 0.2034 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.25 0.625
2 2 0.0 0.25 0.125
3 3 0.1375 0.4985 0.2034
4 1 0.0 0.75 0.375
5 2 0.0 0.75 0.875
6 3 0.8625 0.5015 0.7966
7 1 0.5 0.25 0.875
8 2 0.5 0.25 0.375
9 3 0.3625 0.0015 0.2966
10 1 0.5 0.75 0.125
11 2 0.5 0.75 0.625
12 3 0.6375 0.9985 0.7034
13 3 0.2515 0.3875 0.4534
14 3 0.3625 0.5015 0.7034
15 3 0.2485 0.6125 0.9534
16 3 0.2485 0.1125 0.0466
17 3 0.6375 0.4985 0.2966
18 3 0.2515 0.8875 0.5466
19 3 0.7485 0.6125 0.5466
20 3 0.1375 0.9985 0.7966
21 3 0.7515 0.3875 0.0466
22 3 0.7515 0.8875 0.9534
23 3 0.8625 0.0015 0.2034
24 3 0.7485 0.1125 0.4534
X-ray density (g/cm cub.) = 6.93
MU (1/cm) = 1342.019 Mass attenuation coefficient (cm**2/g) = 193.755
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.072 8
2.4945 3
2.4498 3
2.4945 3
2.4498 3
2.4498 3
2.4498 3
2.4945 3
2.4945 3
2 V 2.496 4
1.7266 3
1.7266 3
1.7266 3
1.7266 3
3 O 3.264 10
3.0393 3
3.013 3
3.0427 3
3.0427 3
2.7662 3
2.7958 3
2.7958 3
2.7662 3
2.9506 3
2.9235 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 1 0 1 9.407 18.814 0.106 71.94 8 147.1 12913.3
2 1 0 3 14.33 28.661 0.161 29.82 8 123.2 3754.3
3 1 1 2 14.426 28.852 0.162 29.4 8 340.2 28223.1
4 0 0 4 15.24 30.479 0.171 26.14 2 297.8 4809.3
5 2 0 0 17.416 34.833 0.194 19.58 4 273.5 6074.9
6 2 0 2 19.081 38.161 0.212 16.02 8 30.7 125.6
7 1 1 4 19.723 39.446 0.219 14.89 8 60.0 444.7
8 1 2 1 19.94 39.88 0.221 14.53 8 104.9 1326.1
9 2 1 1 19.94 39.88 0.221 14.53 8 184.9 4124.1
10 1 0 5 21.165 42.329 0.234 12.72 8 161.1 2737.9
11 1 2 3 22.855 45.709 0.252 10.7 8 175.7 2742.3
12 2 1 3 22.855 45.709 0.252 10.7 8 126.2 1414.3
13 2 0 4 23.475 46.95 0.259 10.07 8 318.9 8497.5
14 2 2 0 25.043 50.085 0.275 8.7 4 306.9 3398.0
15 2 2 2 26.31 52.62 0.288 7.77 8 1.1 0.1
16 1 1 6 26.583 53.167 0.29 7.59 8 289.3 5270.3
17 3 0 1 26.985 53.969 0.295 7.34 8 134.4 1099.9
18 1 2 5 27.968 55.937 0.304 6.76 8 105.7 626.6
19 2 1 5 27.968 55.937 0.304 6.76 8 99.7 558.0
20 1 0 7 28.93 57.859 0.314 6.26 8 140.8 1030.9
21 3 0 3 29.363 58.727 0.318 6.06 8 141.8 1010.3
22 1 3 2 29.417 58.834 0.319 6.03 8 300.7 4525.7
23 3 1 2 29.417 58.834 0.319 6.03 8 256.5 3292.0
24 2 0 6 29.671 59.343 0.321 5.92 8 4.8 1.1
25 2 2 4 29.885 59.771 0.323 5.82 8 273.6 3615.6
26 0 0 8 31.717 63.433 0.341 5.1 2 230.2 560.8
27 1 3 4 32.776 65.552 0.351 4.75 8 5.9 1.4
28 3 1 4 32.776 65.552 0.351 4.75 8 6.4 1.6
29 2 3 1 32.928 65.855 0.353 4.71 8 83.5 272.1
30 3 2 1 32.928 65.855 0.353 4.71 8 136.7 730.0
31 3 0 5 33.804 67.608 0.361 4.45 8 92.7 317.7
32 1 1 8 34.522 69.044 0.368 4.26 8 29.3 30.3
33 1 2 7 34.67 69.34 0.369 4.23 8 111.4 434.9
34 2 1 7 34.67 69.34 0.369 4.23 8 87.7 269.9
35 2 3 3 35.063 70.126 0.373 4.13 8 113.7 443.0
36 3 2 3 35.063 70.126 0.373 4.13 8 80.8 223.5
37 2 2 6 35.344 70.687 0.375 4.06 8 0.2 0.0
38 4 0 0 36.771 73.543 0.389 3.76 4 255.1 1015.7
39 2 0 8 37.225 74.451 0.393 3.68 8 272.6 2267.3
40 1 0 9 37.595 75.189 0.396 3.61 8 104.0 324.2
41 4 0 2 37.798 75.596 0.398 3.58 8 40.0 47.5
42 1 3 6 38.023 76.046 0.4 3.54 8 219.8 1418.6
43 3 1 6 38.023 76.046 0.4 3.54 8 281.5 2327.2
44 1 4 1 38.355 76.711 0.403 3.49 8 113.4 371.9
45 4 1 1 38.355 76.711 0.403 3.49 8 99.4 286.0
46 2 3 5 39.18 78.36 0.41 3.36 8 132.8 492.0
47 3 2 5 39.18 78.36 0.41 3.36 8 127.3 452.2
48 3 0 7 40.0 80.0 0.417 3.25 8 91.0 223.7
49 1 4 3 40.374 80.748 0.42 3.21 8 91.8 224.5
50 4 1 3 40.374 80.748 0.42 3.21 8 102.0 276.8
51 3 3 2 40.421 80.842 0.421 3.2 8 243.6 1577.1
52 4 0 4 40.828 81.656 0.424 3.16 8 241.4 1526.4
53 2 4 0 42.012 84.023 0.434 3.04 4 257.0 832.3
54 4 2 0 42.012 84.023 0.434 3.04 4 255.6 823.2
55 2 2 8 42.45 84.9 0.438 3.0 8 232.6 1346.0
56 1 2 9 42.808 85.616 0.441 2.97 8 132.1 429.9
57 2 1 9 42.808 85.616 0.441 2.97 8 93.9 217.3
58 2 4 2 43.005 86.01 0.443 2.95 8 19.4 9.2
59 4 2 2 43.005 86.01 0.443 2.95 8 20.9 10.7
60 3 3 4 43.409 86.817 0.446 2.92 8 20.8 10.5
61 1 1 10 43.661 87.322 0.448 2.91 8 234.3 1324.2
62 1 4 5 44.353 88.706 0.454 2.86 8 118.2 332.2
63 4 1 5 44.353 88.706 0.454 2.86 8 118.4 333.2
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 9.407 18.814 4.71268 12913.3 45.8 46.1 5.6
2 1 0 3 14.33 28.661 3.11208 3754.3 13.3 13.3 5.6
3 1 1 2 14.426 28.852 3.09184 28223.1 100.0 100.0 5.6
4 0 0 4 15.24 30.479 2.9304 4809.3 17.0 17.0 5.6
5 2 0 0 17.416 34.833 2.5735 6074.9 21.5 21.4 5.7
6 1 1 4 19.723 39.446 2.28249 444.7 1.6 1.6 5.7
7 2 1 1 19.94 39.88 2.25867 5450.3 19.3 19.1 5.7
8 1 0 5 21.165 42.329 2.13344 2737.9 9.7 9.6 5.7
9 1 2 3 22.855 45.709 1.98324 4156.6 14.7 14.5 5.7
10 2 0 4 23.475 46.95 1.93368 8497.5 30.1 29.6 5.7
11 2 2 0 25.043 50.085 1.81974 3398.0 12.0 11.8 5.7
12 1 1 6 26.583 53.167 1.72129 5270.3 18.7 18.2 5.8
13 3 0 1 26.985 53.969 1.69758 1099.9 3.9 3.8 5.8
14 1 2 5 27.968 55.937 1.64245 1184.6 4.2 4.1 5.8
15 1 0 7 28.93 57.859 1.59236 1030.9 3.7 3.5 5.8
16 3 0 3 29.363 58.727 1.57089 1010.3 3.6 3.5 5.8
17 1 3 2 29.417 58.834 1.56827 7817.7 27.7 26.8 5.8
18 2 2 4 29.885 59.771 1.54592 3615.6 12.8 12.4 5.8
19 0 0 8 31.717 63.433 1.4652 560.8 2.0 1.9 5.9
20 3 2 1 32.928 65.855 1.41705 1002.2 3.6 3.4 5.9
21 3 0 5 33.804 67.608 1.38451 317.7 1.1 1.1 5.9
22 1 2 7 34.67 69.34 1.35411 704.8 2.5 2.4 5.9
23 2 3 3 35.063 70.126 1.34083 666.5 2.4 2.2 5.9
24 4 0 0 36.771 73.543 1.28675 1015.7 3.6 3.4 6.0
25 2 0 8 37.225 74.451 1.27329 2267.3 8.0 7.6 6.0
26 1 0 9 37.595 75.189 1.26261 324.2 1.1 1.1 6.0
27 3 1 6 38.023 76.046 1.25049 3745.8 13.3 12.5 6.0
28 1 4 1 38.355 76.711 1.24131 657.9 2.3 2.2 6.0
29 2 3 5 39.18 78.36 1.21926 944.2 3.3 3.1 6.0
30 4 1 3 40.374 80.748 1.18911 501.3 1.8 1.7 6.1
31 3 3 2 40.421 80.842 1.18798 1577.1 5.6 5.2 6.1
32 4 0 4 40.828 81.656 1.17817 1526.4 5.4 5.0 6.1
33 2 4 0 42.012 84.023 1.1509 1655.5 5.9 5.4 6.1
34 2 2 8 42.45 84.9 1.14124 1346.0 4.8 4.4 6.1
35 1 2 9 42.808 85.616 1.13353 647.1 2.3 2.1 6.1
36 1 1 10 43.661 87.322 1.11572 1324.2 4.7 4.3 6.2
37 4 1 5 44.353 88.706 1.10185 665.4 2.4 2.1 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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