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
2, syn, at 295'K, f-dreyerite
BiVO(4)
Monoclinic I 2/b Z = 4
I2/b
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 = 5.1935 alpha = 90.0
b = 5.0898 beta = 90.0
c = 11.6972 gamma = 90.39
Unit cell volume (cub. angs.) = 309.2
Molar volume ( cub.cm/mol.) = 46.56
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.25 0.6335 0.0 Bi = 1.00
2 0.0 0.25 0.13 0.0 V = 1.00
3 0.1465 0.5077 0.2082 0.0 O = 1.00
4 0.2606 0.381 0.4493 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 0.6335
2 2 0.0 0.25 0.13
3 3 0.1465 0.5077 0.2082
4 4 0.2606 0.381 0.4493
5 1 0.0 0.75 0.3665
6 2 0.0 0.75 0.87
7 3 0.8535 0.4923 0.7918
8 4 0.7394 0.619 0.5507
9 1 0.5 0.25 0.8665
10 2 0.5 0.25 0.37
11 3 0.3535 0.9923 0.2918
12 4 0.2394 0.119 0.0507
13 1 0.5 0.75 0.1335
14 2 0.5 0.75 0.63
15 3 0.6465 0.0077 0.7082
16 4 0.7606 0.881 0.9493
17 3 0.8535 0.9923 0.2082
18 4 0.7394 0.119 0.4493
19 3 0.1465 0.0077 0.7918
20 4 0.2606 0.881 0.5507
21 3 0.6465 0.5077 0.2918
22 4 0.7606 0.381 0.0507
23 3 0.3535 0.4923 0.7082
24 4 0.2394 0.619 0.9493
X-ray density (g/cm cub.) = 6.96
MU (1/cm) = 1347.786 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
2.628 4
2.354 3
2.5163 4
2.3716 3
2.628 4
2.354 3
2.5163 4
2.3716 3
2 V 2.496 4
1.7671 3
1.6918 4
1.7671 3
1.6918 4
3 O 3.264 10
2.9539 4
2.8566 3
3.0053 3
2.7484 4
2.9069 3
3.0238 3
2.7748 3
2.7748 3
2.7945 4
3.1179 4
4 O 3.264 10
2.9539 3
3.0028 4
3.2009 4
2.7484 3
2.8296 4
3.0094 4
2.8077 4
2.8077 4
2.7945 3
3.1179 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 2 7.568 15.136 0.085 112.35 2 40.0 376.8
2 1 0 1 9.339 18.679 0.105 73.02 4 136.0 5651.5
3 0 1 1 9.5 19.0 0.107 70.5 4 157.9 7356.7
4 1 0 3 14.302 28.604 0.16 29.94 4 152.9 2927.5
5 0 1 3 14.41 28.82 0.162 29.47 4 89.3 983.5
6 -1 1 2 14.412 28.823 0.162 29.46 4 337.0 13996.1
7 1 1 2 14.484 28.967 0.162 29.15 4 340.3 14127.8
8 0 0 4 15.272 30.545 0.171 26.02 2 290.5 4593.5
9 2 0 0 17.256 34.512 0.193 19.98 2 269.2 3028.4
10 0 2 0 17.619 35.238 0.196 19.09 2 276.9 3062.1
11 2 0 2 18.939 37.878 0.211 16.29 4 56.3 216.0
12 0 2 2 19.275 38.549 0.214 15.67 4 3.5 0.8
13 -1 1 4 19.732 39.463 0.219 14.88 4 118.5 873.3
14 1 1 4 19.786 39.572 0.22 14.78 4 0.5 0.0
15 -2 1 1 19.79 39.579 0.22 14.78 4 115.3 821.6
16 2 1 1 19.899 39.797 0.221 14.6 4 191.7 2245.5
17 -1 2 1 20.033 40.066 0.222 14.38 4 176.0 1863.3
18 1 2 1 20.14 40.281 0.224 14.21 4 94.1 526.4
19 1 0 5 21.169 42.338 0.234 12.72 4 112.6 674.7
20 0 1 5 21.246 42.492 0.235 12.61 4 196.0 2027.4
21 -2 1 3 22.732 45.464 0.251 10.83 4 157.2 1119.9
22 2 1 3 22.829 45.659 0.252 10.73 4 98.3 433.6
23 -1 2 3 22.949 45.899 0.253 10.6 4 149.6 992.4
24 1 2 3 23.046 46.092 0.254 10.5 4 189.3 1573.9
25 0 0 6 23.273 46.546 0.256 10.27 2 75.3 121.9
26 2 0 4 23.373 46.745 0.258 10.17 4 312.3 4151.3
27 0 2 4 23.656 47.312 0.26 9.9 4 314.6 4098.8
28 -2 2 0 24.984 49.969 0.274 8.74 2 300.0 1646.4
29 2 2 0 25.166 50.331 0.276 8.6 2 315.4 1790.1
30 -2 2 2 26.259 52.518 0.287 7.81 4 35.3 40.7
31 2 2 2 26.434 52.868 0.289 7.69 4 33.4 36.0
32 -1 1 6 26.616 53.232 0.291 7.57 4 272.6 2354.1
33 1 1 6 26.659 53.319 0.291 7.54 4 279.7 2467.8
34 3 0 1 26.731 53.462 0.292 7.5 4 132.4 549.8
35 0 3 1 27.308 54.616 0.298 7.14 4 135.6 549.0
36 -2 1 5 27.882 55.765 0.304 6.81 4 138.4 545.6
37 2 1 5 27.966 55.933 0.304 6.76 4 128.6 468.1
38 -1 2 5 28.07 56.14 0.305 6.71 4 60.9 104.2
39 1 2 5 28.154 56.308 0.306 6.66 4 64.3 115.3
40 1 0 7 28.962 57.925 0.314 6.25 4 182.3 868.7
41 0 1 7 29.024 58.047 0.315 6.22 4 78.5 160.2
42 3 0 3 29.133 58.267 0.316 6.17 4 159.4 655.2
43 -3 1 2 29.154 58.309 0.316 6.16 4 296.1 2258.1
44 3 1 2 29.277 58.553 0.317 6.1 4 257.1 1686.9
45 2 0 6 29.609 59.217 0.321 5.95 4 91.1 206.5
46 -1 3 2 29.64 59.279 0.321 5.93 4 253.5 1595.3
47 0 3 3 29.679 59.358 0.321 5.91 4 120.6 360.1
48 1 3 2 29.761 59.521 0.322 5.88 4 300.4 2219.1
49 0 2 6 29.85 59.699 0.323 5.84 4 81.2 161.2
50 -2 2 4 29.853 59.706 0.323 5.84 4 269.8 1777.7
51 2 2 4 30.014 60.027 0.325 5.77 4 264.0 1682.1
52 0 0 8 31.79 63.581 0.342 5.08 2 210.4 470.3
53 -3 1 4 32.543 65.085 0.349 4.83 4 46.8 44.2
54 3 1 4 32.657 65.315 0.35 4.79 4 67.4 91.1
55 -3 2 1 32.717 65.433 0.351 4.77 4 77.0 118.4
56 3 2 1 32.945 65.891 0.353 4.7 4 128.5 325.0
57 -1 3 4 32.999 65.997 0.354 4.69 4 53.1 55.3
58 -2 3 1 33.001 66.002 0.354 4.68 4 144.6 410.0
59 1 3 4 33.113 66.225 0.355 4.65 4 58.0 65.5
60 2 3 1 33.229 66.458 0.356 4.62 4 91.5 161.7
61 3 0 5 33.61 67.22 0.359 4.51 4 52.3 51.5
62 0 3 5 34.114 68.229 0.364 4.37 4 124.8 284.6
63 -1 1 8 34.581 69.161 0.368 4.25 4 72.0 92.1
64 1 1 8 34.618 69.236 0.369 4.24 4 130.6 302.5
65 -2 1 7 34.62 69.241 0.369 4.24 4 49.0 42.6
66 2 1 7 34.695 69.389 0.369 4.22 4 39.5 27.5
67 -1 2 7 34.787 69.573 0.37 4.2 4 118.6 247.0
68 1 2 7 34.861 69.721 0.371 4.18 4 154.9 419.5
69 -3 2 3 34.867 69.734 0.371 4.18 4 132.0 304.7
70 3 2 3 35.089 70.178 0.373 4.12 4 100.6 174.5
71 -2 3 3 35.143 70.286 0.374 4.11 4 58.8 59.4
72 -2 2 6 35.336 70.672 0.375 4.07 4 75.7 97.6
73 2 3 3 35.364 70.729 0.376 4.06 4 90.5 139.1
74 2 2 6 35.483 70.966 0.377 4.03 4 73.3 90.7
75 4 0 0 36.39 72.78 0.385 3.84 2 257.8 533.7
76 2 0 8 37.199 74.398 0.392 3.68 4 256.5 1013.7
77 0 4 0 37.255 74.51 0.393 3.67 2 252.2 488.6
78 0 2 8 37.414 74.829 0.394 3.64 4 246.0 922.9
79 4 0 2 37.425 74.85 0.394 3.64 4 12.9 2.5
80 1 0 9 37.658 75.315 0.397 3.6 4 29.9 13.5
81 0 1 9 37.711 75.423 0.397 3.59 4 148.6 331.9
82 -3 1 6 37.826 75.652 0.398 3.57 4 215.6 695.1
83 3 1 6 37.934 75.867 0.399 3.55 4 266.8 1058.8
84 -4 1 1 37.939 75.878 0.399 3.55 4 122.3 222.6
85 4 1 1 38.082 76.165 0.4 3.53 4 100.9 150.3
86 -1 3 6 38.254 76.507 0.402 3.5 4 270.6 1073.4
87 0 4 2 38.282 76.563 0.402 3.5 4 64.5 60.9
88 1 3 6 38.361 76.722 0.403 3.49 4 203.6 604.4
89 -1 4 1 38.739 77.478 0.406 3.43 4 97.0 134.8
90 1 4 1 38.881 77.762 0.407 3.41 4 105.6 158.8
91 -3 2 5 39.009 78.018 0.409 3.39 4 92.9 122.3
92 3 2 5 39.222 78.444 0.41 3.36 4 95.3 127.6
93 -2 3 5 39.274 78.548 0.411 3.35 4 148.0 307.0
94 2 3 5 39.486 78.973 0.413 3.32 4 163.0 369.3
95 3 0 7 39.843 79.685 0.416 3.27 4 120.9 200.3
96 -4 1 3 39.972 79.944 0.417 3.26 4 63.9 55.7
97 4 1 3 40.113 80.227 0.418 3.24 4 88.1 105.2
98 0 3 7 40.317 80.633 0.42 3.22 4 41.9 23.7
99 -3 3 2 40.324 80.647 0.42 3.22 4 246.8 819.1
100 4 0 4 40.476 80.951 0.421 3.2 4 241.3 778.9
101 3 3 2 40.64 81.28 0.423 3.18 4 237.6 750.7
102 -1 4 3 40.761 81.522 0.424 3.16 4 114.8 174.6
103 1 4 3 40.901 81.803 0.425 3.15 4 115.7 176.3
104 0 0 10 41.187 82.374 0.427 3.12 2 116.7 88.8
105 0 4 4 41.314 82.629 0.429 3.1 4 231.2 694.3
106 -4 2 0 41.621 83.243 0.431 3.07 2 264.2 449.0
107 4 2 0 41.901 83.802 0.434 3.05 2 249.4 396.5
108 -2 4 0 42.248 84.495 0.436 3.02 2 258.5 421.5
109 -2 2 8 42.472 84.944 0.438 3.0 4 217.7 594.2
110 2 4 0 42.527 85.054 0.439 2.99 2 248.5 386.6
111 2 2 8 42.611 85.223 0.439 2.98 4 210.5 553.2
112 -4 2 2 42.62 85.241 0.44 2.98 4 37.2 17.3
113 -2 1 9 42.794 85.589 0.441 2.97 4 166.4 344.0
114 2 1 9 42.864 85.728 0.442 2.96 4 135.1 226.2
115 4 2 2 42.899 85.798 0.442 2.96 4 44.4 24.4
116 -1 2 9 42.951 85.901 0.442 2.96 4 26.5 8.7
117 1 2 9 43.02 86.04 0.443 2.95 4 66.0 53.8
118 -2 4 2 43.245 86.489 0.445 2.94 4 4.3 0.2
119 -3 3 4 43.325 86.65 0.445 2.93 4 20.8 5.3
120 2 4 2 43.523 87.046 0.447 2.92 4 1.9 0.0
121 3 3 4 43.638 87.276 0.448 2.91 4 59.7 43.4
122 -1 1 10 43.753 87.506 0.449 2.9 4 214.1 556.1
123 1 1 10 43.788 87.576 0.449 2.9 4 195.8 464.7
124 -4 1 5 43.973 87.946 0.451 2.89 4 147.1 261.4
125 4 1 5 44.112 88.224 0.452 2.88 4 144.3 250.6
126 -1 4 5 44.752 89.503 0.457 2.84 4 84.4 84.6
127 -3 1 8 44.858 89.715 0.458 2.84 4 88.2 92.3
128 1 4 5 44.891 89.781 0.458 2.83 4 78.2 72.5
129 3 1 8 44.962 89.924 0.459 2.83 4 84.7 84.9
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 2 7.568 15.136 5.8486 376.8 2.5 2.5 5.6
2 1 0 1 9.339 18.679 4.74658 5651.5 37.7 38.0 5.6
3 0 1 1 9.5 19.0 4.66702 7356.7 49.1 49.5 5.6
4 1 0 3 14.302 28.604 3.11809 2927.5 19.5 19.5 5.6
5 -1 1 2 14.412 28.823 3.09488 14979.6 100.0 100.0 5.6
6 1 1 2 14.484 28.967 3.07984 14127.8 94.3 94.3 5.6
7 0 0 4 15.272 30.545 2.9243 4593.5 30.7 30.6 5.6
8 2 0 0 17.256 34.512 2.59669 3028.4 20.2 20.1 5.7
9 0 2 0 17.619 35.238 2.54484 3062.1 20.4 20.3 5.7
10 2 0 2 18.939 37.878 2.37329 216.0 1.4 1.4 5.7
11 -1 1 4 19.732 39.463 2.28155 873.3 5.8 5.8 5.7
12 -2 1 1 19.79 39.579 2.2751 821.6 5.5 5.4 5.7
13 2 1 1 19.899 39.797 2.26316 2245.5 15.0 14.8 5.7
14 -1 2 1 20.033 40.066 2.24862 1863.3 12.4 12.3 5.7
15 1 2 1 20.14 40.281 2.23708 526.4 3.5 3.5 5.7
16 1 0 5 21.169 42.338 2.13301 674.7 4.5 4.4 5.7
17 0 1 5 21.246 42.492 2.12565 2027.4 13.5 13.4 5.7
18 -2 1 3 22.732 45.464 1.99337 1119.9 7.5 7.4 5.7
19 2 1 3 22.829 45.659 1.98533 433.6 2.9 2.8 5.7
20 -1 2 3 22.949 45.899 1.97549 992.4 6.6 6.5 5.7
21 1 2 3 23.046 46.092 1.96765 1573.9 10.5 10.3 5.7
22 2 0 4 23.373 46.745 1.94168 4151.3 27.7 27.2 5.7
23 0 2 4 23.656 47.312 1.91971 4098.8 27.4 26.9 5.7
24 -2 2 0 24.984 49.969 1.8237 1646.4 11.0 10.8 5.7
25 2 2 0 25.166 50.331 1.81142 1790.1 12.0 11.7 5.8
26 -1 1 6 26.616 53.232 1.71934 2354.1 15.7 15.3 5.8
27 1 1 6 26.659 53.319 1.71675 2467.8 16.5 16.1 5.8
28 3 0 1 26.731 53.462 1.71247 549.8 3.7 3.6 5.8
29 0 3 1 27.308 54.616 1.67899 549.0 3.7 3.6 5.8
30 -2 1 5 27.882 55.765 1.6471 545.6 3.6 3.5 5.8
31 2 1 5 27.966 55.933 1.64255 468.1 3.1 3.0 5.8
32 1 0 7 28.962 57.925 1.59071 868.7 5.8 5.6 5.8
33 0 1 7 29.024 58.047 1.58765 160.2 1.1 1.0 5.8
34 -3 1 2 29.154 58.309 1.58115 2913.2 19.4 18.8 5.8
35 3 1 2 29.277 58.553 1.57513 1686.9 11.3 10.9 5.8
36 2 0 6 29.609 59.217 1.55905 206.5 1.4 1.3 5.8
37 -1 3 2 29.64 59.279 1.55756 1595.3 10.6 10.3 5.8
38 0 3 3 29.679 59.358 1.55567 360.1 2.4 2.3 5.8
39 1 3 2 29.761 59.521 1.5518 2219.1 14.8 14.3 5.8
40 -2 2 4 29.853 59.706 1.54744 1938.9 12.9 12.5 5.8
41 2 2 4 30.014 60.027 1.53992 1682.1 11.2 10.8 5.8
42 0 0 8 31.79 63.581 1.46215 470.3 3.1 3.0 5.9
43 3 2 1 32.945 65.891 1.41637 325.0 2.2 2.1 5.9
44 -2 3 1 33.001 66.002 1.41425 465.3 3.1 3.0 5.9
45 2 3 1 33.229 66.458 1.40566 161.7 1.1 1.0 5.9
46 0 3 5 34.114 68.229 1.37342 284.6 1.9 1.8 5.9
47 1 1 8 34.618 69.236 1.35589 345.1 2.3 2.2 5.9
48 -1 2 7 34.787 69.573 1.35013 247.0 1.6 1.6 5.9
49 1 2 7 34.861 69.721 1.34762 724.2 4.8 4.6 5.9
50 3 2 3 35.089 70.178 1.33997 174.5 1.2 1.1 5.9
51 2 3 3 35.364 70.729 1.33088 236.7 1.6 1.5 5.9
52 4 0 0 36.39 72.78 1.29835 533.7 3.6 3.4 6.0
53 2 0 8 37.199 74.398 1.27406 1013.7 6.8 6.4 6.0
54 0 4 0 37.255 74.51 1.27242 488.6 3.3 3.1 6.0
55 0 2 8 37.414 74.829 1.26779 925.4 6.2 5.8 6.0
56 0 1 9 37.711 75.423 1.25928 331.9 2.2 2.1 6.0
57 -3 1 6 37.826 75.652 1.25603 695.1 4.6 4.4 6.0
58 3 1 6 37.934 75.867 1.253 1281.3 8.6 8.0 6.0
59 4 1 1 38.082 76.165 1.24885 150.3 1.0 0.9 6.0
60 -1 3 6 38.254 76.507 1.24411 1134.3 7.6 7.1 6.0
61 1 3 6 38.361 76.722 1.24116 604.4 4.0 3.8 6.0
62 1 4 1 38.881 77.762 1.22713 158.8 1.1 1.0 6.0
63 -2 3 5 39.274 78.548 1.21682 307.0 2.0 1.9 6.0
64 2 3 5 39.486 78.973 1.21133 369.3 2.5 2.3 6.0
65 3 0 7 39.843 79.685 1.20228 200.3 1.3 1.2 6.0
66 -3 3 2 40.324 80.647 1.19035 842.8 5.6 5.2 6.1
67 4 0 4 40.476 80.951 1.18665 778.9 5.2 4.8 6.1
68 3 3 2 40.64 81.28 1.18267 750.7 5.0 4.7 6.1
69 -1 4 3 40.761 81.522 1.17978 174.6 1.2 1.1 6.1
70 1 4 3 40.901 81.803 1.17644 176.3 1.2 1.1 6.1
71 0 4 4 41.314 82.629 1.16676 694.3 4.6 4.3 6.1
72 -4 2 0 41.621 83.243 1.1597 449.0 3.0 2.8 6.1
73 4 2 0 41.901 83.802 1.15338 396.5 2.6 2.4 6.1
74 -2 4 0 42.248 84.495 1.14568 421.5 2.8 2.6 6.1
75 -2 2 8 42.472 84.944 1.14077 594.2 4.0 3.7 6.1
76 2 4 0 42.527 85.054 1.13958 386.6 2.6 2.4 6.1
77 2 2 8 42.611 85.223 1.13775 570.4 3.8 3.5 6.1
78 -2 1 9 42.794 85.589 1.13381 344.0 2.3 2.1 6.1
79 2 1 9 42.864 85.728 1.13233 226.2 1.5 1.4 6.1
80 -1 1 10 43.753 87.506 1.11384 556.1 3.7 3.4 6.2
81 1 1 10 43.788 87.576 1.11314 464.7 3.1 2.8 6.2
82 -4 1 5 43.973 87.946 1.1094 261.4 1.7 1.6 6.2
83 4 1 5 44.112 88.224 1.10662 250.6 1.7 1.5 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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