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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HYDROROMARCHITE
1, syn, f-hydroromarchite
Sn(3)O(2)(OH)(2)
Tetragonal P 4(-)2c Z = 4
P4(-)2c
22 .9 .8
Ref.Str.:
Abrahams I., Grimes S.M., Johnston S.R., Knowles J.C. (1996)
* Acta Cryst., C52, 286-288
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.9268 alpha = 90.0
b = 7.9268 beta = 90.0
c = 9.1025 gamma = 90.0
Unit cell volume (cub. angs.) = 571.95
Molar volume ( cub.cm/mol.) = 86.13
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1218 0.2917 0.9962 0.0 Sn = 1.00
2 0.0 0.0 0.2757 0.0 Sn = 1.00
3 0.9026 0.1945 0.1277 0.0 O = 1.00
4 0.2606 0.09 0.173 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1218 0.2917 0.9962
2 2 0.0 0.0 0.2757
3 3 0.9026 0.1945 0.1277
4 4 0.2606 0.09 0.173
5 1 0.2917 0.8782 0.0038
6 1 0.8782 0.7083 0.9962
7 1 0.7083 0.1218 0.0038
8 2 0.0 0.0 0.7243
9 3 0.1945 0.0974 0.8723
10 3 0.0974 0.8055 0.1277
11 3 0.8055 0.9026 0.8723
12 4 0.09 0.7394 0.827
13 4 0.7394 0.91 0.173
14 4 0.91 0.2606 0.827
15 1 0.8782 0.2917 0.5038
16 2 0.0 0.0 0.2243
17 3 0.0974 0.1945 0.3723
18 4 0.7394 0.09 0.327
19 1 0.7083 0.8782 0.4962
20 1 0.1218 0.7083 0.5038
21 1 0.2917 0.1218 0.4962
22 2 0.0 0.0 0.7757
23 3 0.8055 0.0974 0.6277
24 3 0.9026 0.8055 0.3723
25 3 0.1945 0.9026 0.6277
26 4 0.91 0.7394 0.673
27 4 0.2606 0.91 0.327
28 4 0.09 0.2606 0.673
X-ray density (g/cm cub.) = 4.9
MU (1/cm) = 1067.06 Mass attenuation coefficient (cm**2/g) = 217.761
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sn 2.904 4
2.2462 3
2.5213 4
1.994 3
2.2916 4
2 Sn 2.904 8
2.1881 3
2.377 4
2.1881 3
2.377 4
1.9355 3
2.2348 4
1.9355 3
2.2348 4
3 O 3.312 5
2.9848 4
2.6324 4
2.7874 4
2.7095 3
2.3771 4
4 OH 3.36 5
2.9848 3
2.7874 3
2.6324 3
2.3771 3
2.0002 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 5.576 11.153 0.063 208.83 4 342.0 29867.5
2 1 0 1 7.403 14.807 0.084 117.5 8 18.3 96.6
3 1 1 0 7.899 15.798 0.089 102.95 4 130.7 2150.3
4 0 0 2 9.744 19.488 0.11 66.9 2 157.2 1010.2
5 2 0 0 11.207 22.413 0.126 50.06 4 3.7 0.9
6 1 0 2 11.254 22.508 0.127 49.62 8 100.1 1215.9
7 2 0 1 12.238 24.476 0.138 41.64 8 16.1 26.5
8 2 1 0 12.55 25.1 0.141 39.49 8 27.1 71.2
9 1 1 2 12.592 25.185 0.142 39.21 8 230.4 5088.9
10 2 1 1 13.485 26.969 0.151 33.93 16 205.1 6980.3
11 2 0 2 14.934 29.869 0.167 27.3 8 290.4 5629.7
12 1 0 3 15.773 31.547 0.176 24.28 8 1.3 0.1
13 2 2 0 15.953 31.906 0.178 23.69 4 121.3 426.2
14 2 1 2 15.987 31.975 0.179 23.58 16 250.7 7247.4
15 3 0 0 16.949 33.898 0.189 20.78 4 145.8 540.0
16 3 0 1 17.671 35.343 0.197 18.97 8 21.8 22.0
17 3 1 0 17.896 35.792 0.199 18.45 8 256.4 2966.6
18 3 1 1 18.586 37.172 0.207 16.98 16 159.4 2109.8
19 2 0 3 18.646 37.292 0.208 16.86 8 9.9 4.0
20 2 2 2 18.831 37.662 0.21 16.5 8 152.2 934.5
21 2 1 3 19.522 39.043 0.217 15.23 16 234.3 4090.9
22 3 0 2 19.7 39.399 0.219 14.93 8 141.4 730.3
23 0 0 4 19.785 39.57 0.22 14.79 2 377.7 1290.0
24 3 2 0 20.51 41.019 0.227 13.65 8 249.9 2084.1
25 3 1 2 20.537 41.075 0.228 13.61 16 43.2 124.5
26 1 0 4 20.62 41.239 0.229 13.49 8 164.2 889.1
27 3 2 1 21.127 42.255 0.234 12.77 16 28.4 50.4
28 1 1 4 21.428 42.855 0.237 12.37 8 66.5 133.9
29 3 0 3 22.741 45.482 0.251 10.82 8 21.7 12.5
30 4 0 0 22.873 45.747 0.252 10.68 4 69.7 63.4
31 3 2 2 22.899 45.797 0.253 10.66 16 54.9 157.3
32 2 0 4 22.974 45.949 0.253 10.58 8 8.6 1.9
33 4 0 1 23.441 46.882 0.258 10.11 8 19.3 9.2
34 3 1 3 23.49 46.981 0.259 10.06 16 223.8 2463.5
35 4 1 0 23.619 47.239 0.26 9.93 8 252.0 1543.0
36 2 1 4 23.718 47.436 0.261 9.84 16 45.3 98.9
37 4 1 1 24.173 48.347 0.266 9.42 16 96.9 432.9
38 3 3 0 24.348 48.696 0.268 9.27 4 16.4 3.0
39 4 0 2 25.084 50.168 0.275 8.66 8 210.9 942.8
40 3 2 3 25.637 51.275 0.281 8.24 16 74.7 224.7
41 1 0 5 25.73 51.46 0.282 8.18 8 11.0 2.4
42 4 2 0 25.758 51.517 0.282 8.16 8 297.9 1769.9
43 4 1 2 25.781 51.563 0.282 8.14 16 56.1 125.3
44 2 2 4 25.851 51.701 0.283 8.09 8 119.6 282.9
45 4 2 1 26.279 52.557 0.287 7.79 16 141.3 760.7
46 3 3 2 26.466 52.931 0.289 7.67 8 265.5 1322.3
47 3 0 4 26.534 53.067 0.29 7.62 8 137.4 352.1
48 3 1 4 27.205 54.409 0.297 7.2 16 218.4 1680.2
49 4 0 3 27.662 55.324 0.301 6.93 8 1.2 0.0
50 2 0 5 27.75 55.5 0.302 6.88 8 11.3 2.2
51 4 2 2 27.799 55.598 0.303 6.86 16 19.8 13.2
52 4 1 3 28.315 56.63 0.308 6.58 16 47.7 73.1
53 2 1 5 28.401 56.803 0.309 6.53 16 173.5 961.9
54 4 3 0 29.07 58.139 0.315 6.2 8 0.9 0.0
55 5 0 0 29.07 58.139 0.315 6.2 4 120.7 110.5
56 3 2 4 29.155 58.309 0.316 6.16 16 191.8 1108.2
57 4 3 1 29.55 59.1 0.32 5.97 16 94.8 262.6
58 5 0 1 29.55 59.1 0.32 5.97 8 14.2 2.9
59 5 1 0 29.702 59.405 0.322 5.9 8 71.6 74.0
60 5 1 1 30.177 60.353 0.326 5.7 16 107.6 322.8
61 4 2 3 30.218 60.436 0.327 5.68 16 110.5 339.4
62 0 0 6 30.513 61.026 0.33 5.56 2 220.0 164.4
63 3 0 5 30.919 61.837 0.334 5.4 8 11.0 1.6
64 4 3 2 30.964 61.929 0.334 5.38 16 259.9 1778.3
65 5 0 2 30.964 61.929 0.334 5.38 8 343.5 1553.0
66 4 0 4 31.026 62.052 0.335 5.36 8 47.0 29.0
67 1 0 6 31.128 62.256 0.336 5.32 8 1.4 0.0
68 3 1 5 31.529 63.058 0.339 5.17 16 154.1 600.6
69 5 2 0 31.554 63.108 0.34 5.16 8 241.2 734.2
70 5 1 2 31.574 63.148 0.34 5.15 16 187.6 887.8
71 4 1 4 31.635 63.27 0.34 5.13 16 183.1 842.0
72 1 1 6 31.736 63.472 0.341 5.1 8 123.0 188.5
73 5 2 1 32.012 64.024 0.344 5.0 16 16.3 6.5
74 3 3 4 32.237 64.475 0.346 4.93 8 45.0 24.4
75 2 0 6 32.933 65.867 0.353 4.7 8 185.7 396.8
76 4 3 3 33.243 66.487 0.356 4.61 16 97.9 216.0
77 5 0 3 33.243 66.487 0.356 4.61 8 21.3 5.1
78 3 2 5 33.322 66.645 0.357 4.59 16 46.7 48.9
79 4 4 0 33.346 66.693 0.357 4.58 4 20.2 2.3
80 5 2 2 33.366 66.732 0.357 4.58 16 47.8 51.2
81 4 2 4 33.425 66.85 0.358 4.56 16 199.9 891.0
82 2 1 6 33.523 67.047 0.358 4.53 16 164.5 599.3
83 5 1 3 33.831 67.662 0.361 4.44 16 102.2 227.3
84 5 3 0 34.515 69.029 0.368 4.26 8 143.2 213.8
85 5 3 1 34.953 69.906 0.372 4.16 16 41.8 35.4
86 4 0 5 35.068 70.137 0.373 4.13 8 15.8 2.5
87 4 4 2 35.111 70.222 0.373 4.12 8 233.2 547.7
88 2 2 6 35.265 70.53 0.375 4.08 8 96.1 92.2
89 5 2 3 35.565 71.13 0.378 4.01 16 2.4 0.1
90 4 1 5 35.642 71.283 0.378 4.0 16 59.7 69.8
91 6 0 0 35.665 71.33 0.378 3.99 4 79.4 30.8
92 3 0 6 35.837 71.673 0.38 3.95 8 64.9 40.7
93 6 0 1 36.097 72.194 0.382 3.9 8 11.7 1.3
94 6 1 0 36.234 72.468 0.384 3.87 8 118.8 133.5
95 5 3 2 36.253 72.506 0.384 3.87 16 104.2 205.2
96 4 3 4 36.31 72.62 0.384 3.85 16 35.4 23.6
97 5 0 4 36.31 72.62 0.384 3.85 8 108.4 110.7
98 3 1 6 36.405 72.81 0.385 3.84 16 15.4 4.4
99 6 1 1 36.663 73.327 0.388 3.78 16 28.5 15.0
100 5 1 4 36.875 73.751 0.39 3.74 16 32.4 19.3
101 1 0 7 36.89 73.78 0.39 3.74 8 34.7 11.0
102 4 2 5 37.339 74.678 0.394 3.66 16 96.3 165.8
103 6 0 2 37.381 74.762 0.394 3.65 8 115.3 118.7
104 6 2 0 37.922 75.843 0.399 3.56 8 149.5 194.4
105 6 1 2 37.94 75.881 0.399 3.55 16 105.0 191.5
106 3 2 6 38.089 76.179 0.4 3.53 16 18.3 5.8
107 6 2 1 38.344 76.688 0.403 3.49 16 186.0 590.2
108 5 3 3 38.381 76.762 0.403 3.48 16 25.0 10.7
109 5 4 0 38.478 76.957 0.404 3.47 8 167.7 238.5
110 5 2 4 38.553 77.105 0.405 3.46 16 153.8 399.7
111 2 0 7 38.567 77.134 0.405 3.45 8 42.8 15.5
112 5 4 1 38.899 77.798 0.408 3.4 16 67.2 75.2
113 2 1 7 39.121 78.241 0.41 3.37 16 147.5 358.7
114 6 0 3 39.488 78.976 0.413 3.32 8 9.8 0.8
115 6 2 2 39.603 79.206 0.414 3.31 16 103.3 172.6
116 4 0 6 39.75 79.5 0.415 3.29 8 120.9 117.5
117 6 1 3 40.038 80.076 0.418 3.25 16 40.1 25.6
118 4 3 5 40.112 80.223 0.418 3.24 16 69.1 75.6
119 5 0 5 40.112 80.223 0.418 3.24 8 9.5 0.7
120 5 4 2 40.153 80.305 0.419 3.24 16 40.5 25.9
121 4 4 4 40.208 80.415 0.419 3.23 8 15.8 2.0
122 4 1 6 40.299 80.599 0.42 3.22 16 17.0 4.6
123 5 1 5 40.66 81.32 0.423 3.18 16 87.9 120.1
124 6 3 0 40.682 81.365 0.423 3.17 8 112.0 97.3
125 3 3 6 40.847 81.694 0.425 3.15 8 172.7 230.1
126 6 3 1 41.097 82.194 0.427 3.13 16 168.5 434.4
127 5 3 4 41.302 82.603 0.428 3.11 16 97.1 143.2
128 3 0 7 41.316 82.632 0.429 3.1 8 25.5 4.9
129 6 2 3 41.679 83.357 0.432 3.07 16 165.4 410.8
130 3 1 7 41.861 83.721 0.433 3.05 16 121.8 221.5
131 4 2 6 41.938 83.875 0.434 3.04 16 50.7 38.3
132 5 4 3 42.223 84.446 0.436 3.02 16 72.7 77.9
133 5 2 5 42.295 84.591 0.437 3.01 16 15.3 3.5
134 6 3 2 42.336 84.672 0.437 3.01 16 117.8 204.1
135 6 0 4 42.39 84.781 0.438 3.0 8 88.6 57.6
136 0 0 8 42.608 85.217 0.439 2.99 2 258.5 122.0
137 7 0 0 42.861 85.722 0.442 2.96 4 275.1 274.4
138 6 1 4 42.933 85.867 0.442 2.96 16 97.7 138.1
139 1 0 8 43.151 86.302 0.444 2.94 8 88.1 55.9
140 7 0 1 43.272 86.544 0.445 2.93 8 13.7 1.3
141 5 5 0 43.403 86.806 0.446 2.92 4 265.1 251.4
142 7 1 0 43.403 86.806 0.446 2.92 8 169.9 206.5
143 3 2 7 43.489 86.979 0.447 2.92 16 28.9 11.9
144 1 1 8 43.693 87.385 0.448 2.9 8 22.5 3.6
145 7 1 1 43.814 87.627 0.449 2.9 16 95.6 129.5
146 6 3 3 44.391 88.782 0.454 2.86 16 162.4 368.9
147 6 4 0 44.486 88.972 0.455 2.86 8 94.5 62.4
148 7 0 2 44.504 89.008 0.455 2.85 8 70.0 34.2
149 6 2 4 44.558 89.116 0.455 2.85 16 89.3 111.2
150 4 3 6 44.649 89.297 0.456 2.85 16 179.3 447.6
151 5 0 6 44.649 89.297 0.456 2.85 8 265.9 492.3
152 2 0 8 44.775 89.551 0.457 2.84 8 59.0 24.2
153 6 4 1 44.896 89.792 0.458 2.83 16 88.1 107.5
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 0 5.576 11.153 7.9268 29867.5 100.0 100.0 5.6
2 1 1 0 7.899 15.798 5.60509 2150.3 7.2 7.2 5.6
3 0 0 2 9.744 19.488 4.55125 1010.2 3.4 3.4 5.6
4 1 0 2 11.254 22.508 3.94694 1215.9 4.1 4.0 5.6
5 1 1 2 12.592 25.185 3.53318 5088.9 17.0 16.9 5.6
6 2 1 1 13.485 26.969 3.3033 6980.3 23.4 23.1 5.6
7 2 0 2 14.934 29.869 2.98892 5629.7 18.8 18.6 5.6
8 2 2 0 15.953 31.906 2.80255 426.2 1.4 1.4 5.6
9 2 1 2 15.987 31.975 2.79671 7247.4 24.3 23.9 5.6
10 3 0 0 16.949 33.898 2.64227 540.0 1.8 1.8 5.7
11 3 1 0 17.896 35.792 2.50667 2966.6 9.9 9.8 5.7
12 3 1 1 18.586 37.172 2.41671 2109.8 7.1 6.9 5.7
13 2 2 2 18.831 37.662 2.3864 934.5 3.1 3.1 5.7
14 2 1 3 19.522 39.043 2.30512 4090.9 13.7 13.4 5.7
15 3 0 2 19.7 39.399 2.28509 730.3 2.4 2.4 5.7
16 0 0 4 19.785 39.57 2.27562 1290.0 4.3 4.2 5.7
17 3 2 0 20.51 41.019 2.1985 2208.6 7.4 7.2 5.7
18 1 0 4 20.62 41.239 2.18728 889.1 3.0 2.9 5.7
19 3 1 3 23.49 46.981 1.93249 2463.5 8.2 8.0 5.7
20 4 1 0 23.619 47.239 1.92253 1543.0 5.2 5.0 5.7
21 4 1 1 24.173 48.347 1.88103 432.9 1.4 1.4 5.7
22 4 0 2 25.084 50.168 1.81693 942.8 3.2 3.1 5.7
23 4 2 0 25.758 51.517 1.77249 1897.6 6.4 6.1 5.8
24 4 2 1 26.279 52.557 1.73981 760.7 2.5 2.5 5.8
25 3 3 2 26.466 52.931 1.72839 1322.3 4.4 4.3 5.8
26 3 0 4 26.534 53.067 1.72429 352.1 1.2 1.1 5.8
27 3 1 4 27.205 54.409 1.68489 1680.2 5.6 5.4 5.8
28 2 1 5 28.401 56.803 1.61944 961.9 3.2 3.1 5.8
29 3 2 4 29.155 58.309 1.58114 1108.2 3.7 3.6 5.8
30 5 1 1 30.177 60.353 1.53239 322.8 1.1 1.0 5.8
31 4 2 3 30.218 60.436 1.53047 339.4 1.1 1.1 5.8
32 4 3 2 30.964 61.929 1.49713 3331.3 11.2 10.6 5.8
33 5 2 0 31.554 63.108 1.47197 2222.6 7.4 7.1 5.9
34 4 1 4 31.635 63.27 1.46859 842.0 2.8 2.7 5.9
35 2 0 6 32.933 65.867 1.41684 396.8 1.3 1.3 5.9
36 4 2 4 33.425 66.85 1.39835 891.0 3.0 2.8 5.9
37 2 1 6 33.523 67.047 1.39473 599.3 2.0 1.9 5.9
38 4 4 2 35.111 70.222 1.33923 547.7 1.8 1.7 5.9
39 5 3 2 36.253 72.506 1.30257 338.7 1.1 1.1 5.9
40 6 2 0 37.922 75.843 1.25334 385.9 1.3 1.2 6.0
41 6 2 1 38.344 76.688 1.24162 590.2 2.0 1.8 6.0
42 5 2 4 38.553 77.105 1.23594 415.2 1.4 1.3 6.0
43 2 1 7 39.121 78.241 1.22082 358.7 1.2 1.1 6.0
44 6 3 1 41.097 82.194 1.17182 434.4 1.5 1.3 6.1
45 6 2 3 41.679 83.357 1.1584 410.8 1.4 1.3 6.1
46 5 5 0 43.403 86.806 1.12102 457.9 1.5 1.4 6.1
47 6 3 3 44.391 88.782 1.1011 368.9 1.2 1.1 6.2
48 5 0 6 44.649 89.297 1.09608 939.9 3.1 2.8 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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