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American Mineralogist Crystal Structure Database

1 matching records for this search.

Sidwillite
Download hom/sidwillite.pdf
Krebs B
Acta Crystallographica B28 (1972) 2222-2231
Die kristallstruktur von MoO3*2H2O
Locality: synthetic
_database_code_amcsd 0009439
10.476 13.822 10.606 90 91.62 90 P2_1/n
atom       x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mo1   .11729 .24968 .14710  .99 .00219 .00153 .00193 -.00002 -.00002 -.00001
Mo2   .39389 .25528 .35964  .98 .00201 .00151 .00204 -.00006 -.00010  .00005
Mo3  -.13721 .25189 .39802 1.04 .00229 .00156 .00206 -.00002 -.00017  .00008
Mo4   .15387 .24499 .61827 1.01 .00209 .00160 .00206 -.00005 -.00015  .00004
O1     .0216  .2543 -.0255 1.20 .00228 .00221 .00174  .00024 -.00024 -.00034
O2     .2313  .2085  .2661 1.14 .00175 .00217 .00184  .00001 -.00041 -.00018
O3     .2635  .2087  .0192 1.21 .00184 .00225 .00214  .00003 -.00068 -.00008
O4    -.0266  .2438  .2287 1.39 .00232 .00291 .00204  .00004 -.00049 -.00008
O5     .4812  .2623  .2190 1.46 .00224 .00319 .00182 -.00048 -.00058  .00027
O6     .2716  .2094  .5116 1.15 .00195 .00205 .00214  .00053 -.00019  .00017
O7    -.2695  .2958  .2652 1.20 .00171 .00237 .00202  .00018 -.00041 -.00001
O8     .0146  .2539  .4779 1.50 .00269 .00302 .00194  .00021 -.00003  .00003
O9     .1520  .3685  .1431 1.65 .00327 .00212 .00422 -.00015 -.00068  .00006
O10    .3423  .3727  .3770 1.60 .00338 .00209 .00390 -.00016  .00043 -.00016
O11   -.1723  .1334  .3897 1.78 .00438 .00238 .00417 -.00010 -.00014 -.00005
O12    .1737  .3662  .6288 1.86 .00448 .00236 .00404 -.00048 -.00014 -.00037
O13    .0838  .0889  .1107 1.47 .00303 .00184 .00391  -.0005  .00023 -.00019
O14    .4146  .0910  .3514 1.59 .00365 .00146 .00486  .00049  .00006 -.00025
O15   -.0884  .4106  .3610 1.40 .00296 .00175 .00343 -.00059  .00029  .00011
O16    .0920  .0857  .6003 1.35 .00299 .00154 .00369 -.00029 -.00052 -.00049
O17    .3593  .5011  .1288 2.07 .00429 .00275 .00539 -.00027   .0003 -.00047
O18    .3612  .5119  .6243 2.52 .00391 .00400 .00608  .00014  .00117 -.00059
O19    .1426  .5035  .3762 1.89 .00362 .00259 .00503  .00020 -.00060 -.00054
O20   -.1339  .4896  .1234 2.07 .00320 .00279 .00599  .00009 -.00001 -.00021
H1      .053   .047   .129    4
H2      .097   .082   .037    4
H3      .389   .061   .267    4
H4      .476   .063   .369    4
H5      -.02   .427   .384    4
H6      -.11   .432   .279    4
H7      .103   .061    .53    4
H8      .007   .067   .631    4
H9       .28   .464   .134    4
H10     .339   .528   .197    4
H11     .353   .547   .697    4
H12     .308   .449    .63    4
H13     .223   .473   .356    4
H14     .126   .508    .45    4
H15    -.138   .455   .052    4
H16    -.185   .555   .122    4
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Total number of retrieved datasets: 1
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