American Mineralogist Crystal Structure Database

1 matching records for this search.

Albrechtschraufite
Download hom/albrechtschraufite.pdf
Mereiter K
 
Mineralogy and Petrology 107 (2013) 179-188
Description and crystal structure of albrechtschaufite, MgCa4F2[UO2(CO3)3]2*17-18H2O
Locality: Joachimsthal, Bohemia
_database_code_amcsd 0018906
13.569 13.419 11.622 115.82 107.61 92.84 P-1
atom        x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg     .41979  .42236  .02416     .01208  .0103  .0106  .0196  .0033  .0071  .0095
Ca1    .48138  .14003 -.01359     .01200  .0101  .0100  .0176 .00278 .00448  .0083
Ca2    .26561  .28073  .11208     .01607  .0140  .0172  .0242  .0048  .0092  .0142
Ca3    .14312  .49698  .00952     .01470  .0109  .0129  .0244 .00482  .0079  .0110
Ca4    .84563 -.14801  .60690     .02158  .0198  .0226  .0241  .0067  .0067  .0132
F1     .42284  .30237  .07639      .0158  .0163  .0146  .0251  .0075  .0108  .0140
F2     .28315  .42011  .04822      .0170  .0138  .0178  .0292  .0082  .0125  .0159
U1    .785960 .222723 .024224     .01188 .00929 .00999 .02019 .00339 .00647 .00949
O1     .74685  .15651  -.1575      .0227  .0235  .0224  .0239  .0046  .0090  .0122
O2     .82393   .2874   .2066      .0247  .0239  .0248  .0246  .0048  .0082  .0114
C1      .6367   .3698   .0125      .0133  .0106  .0134  .0196  .0028  .0072  .0098
O3     .73351  .39875   .0304      .0219  .0117  .0189  .0469  .0072  .0148  .0224
O4     .61109  .27159   .0015      .0201  .0133  .0142  .0410  .0051  .0120  .0181
O5     .57073  .43339   .0070      .0159  .0120  .0142  .0292  .0074  .0097  .0148
C2      .7097   .0058  -.0043      .0149  .0143  .0145  .0209  .0044  .0079  .0116
O6     .65044  .07884  -.0028      .0187  .0126  .0162  .0344  .0068  .0112  .0160
O7     .80697  .03892   .0097      .0209  .0123  .0173  .0417  .0064  .0125  .0192
O8     .67681 -.08996  -.0198      .0200  .0175  .0126  .0372  .0054  .0140  .0151
C3      .9999   .3096   .0624      .0156  .0137  .0139  .0236  .0031  .0094  .0108
O9     .97519  .21572   .0643      .0212  .0133  .0189  .0433  .0075  .0122  .0229
O10    .92175  .36065   .0483      .0198  .0123  .0183  .0388  .0077  .0122  .0195
O11    .09083  .34862   .0737      .0176  .0108  .0177  .0294  .0040  .0091  .0142
U2    .712257 .029017 .409056     .01376 .01459 .01152 .01319 .00350 .00292 .00546
O12    .61179   .0290   .4798      .0274  .0248  .0315  .0275  .0080  .0124  .0131
O13    .81365  .02859   .3390      .0236  .0228  .0221  .0219  .0027  .0095  .0062
C4      .6096   .1523   .2797      .0198  .0239  .0168  .0190  .0097  .0056  .0095
O14     .6776   .1997   .4022      .0337  .0492  .0159  .0200  .0090 -.0053  .0064
O15    .58873  .04167   .2163      .0213  .0233  .0144  .0196  .0038  .0014  .0067
O16    .56460  .20789   .2235      .0232  .0280  .0212  .0219  .0122  .0058  .0128
C5      .6672  -.2150   .2593      .0144  .0124  .0144  .0171  .0020  .0045  .0085
O17    .61595 -.15313   .2135      .0203  .0221  .0127  .0183  .0030 -.0010  .0064
O18    .73345 -.15961   .3839      .0202  .0236  .0147  .0157  .0036 -.0004  .0066
O19    .65280 -.32068   .1888      .0182  .0214  .0106  .0195  .0038  .0049  .0061
C6      .8780   .1388   .6711      .0181  .0192  .0164  .0166  .0041  .0060  .0062
O20    .84375  .03029   .6060      .0230  .0265  .0150  .0186  .0027 -.0005  .0062
O21    .82359  .19240   .6130      .0236  .0286  .0151  .0182  .0038  .0009  .0053
O22    .95725   .1897   .7792      .0251  .0190  .0223  .0203  .0029 -.0006  .0036
OW1     .4944   .5398   .2360      .0363  .0445  .0247  .0262  .0014  .0022  .0082
H1A     .5122   .6073   .2745       .044
H1B     .5140   .5184   .2920       .044
OW2    .16162  .16731   .1731      .0213  .0168  .0215  .0313  .0075  .0099  .0162
H2A     .1608   .1028   .1238       .026
H2B     .1030   .1779   .1499       .026
OW3     .3992   .2770   .3111      .0356  .0288  .0465  .0414  .0111  .0134  .0285
H3A     .4558   .2679   .3058       .043
H3B     .3810   .2362   .3380       .043
OW4    .16557   .1755  -.1257      .0295  .0237  .0242  .0307  .0110  .0065  .0062
H4A     .1777   .1190  -.1776       .035
H4B     .1049   .1763  -.1589       .035
OW5     .2896   .4597   .3224      .0840   .135   .067  .0303   .066   .013  .0135
H5A     .2820   .5183   .3218       .101
H5B     .3113   .4720   .4005       .101
OW6    .03802  .58768   .1502      .0204  .0188  .0171  .0247  .0040  .0079  .0095
H6A     .0432   .6544   .1770       .024
H6B     .0553   .5772   .2155       .024
OW7     .1406   .3647  -.2292      .0306  .0239  .0354  .0312  .0112  .0100  .0140
H7A     .1997   .3635  -.2282       .037
H7B     .1096   .3804  -.2875       .037
OW8    .26404   .6352   .2451      .0316  .0231  .0267  .0342  .0053  .0102  .0054
H8A     .2356   .6826   .2843       .038
H8B     .3192   .6665   .2527       .038
OW9     .9554  -.2792   .6310      .0824   .093   .081  .0398   .064  -.001  .0120
H9A     .0086  -.2664   .6934       .099
H9B     .9598  -.3278   .5627       .099
OW10    .9648  -.1445   .4849      .0565  .0283   .082  .0358 -.0007  .0143  .0072
H10A    .0258  -.1165   .5311       .068
H10B    .9616  -.2035   .4218       .068
OW11    .9914  -.0199   .8123      .0379  .0301  .0324  .0425 -.0032 -.0036  .0221
H11A    .0456  -.0268   .8572       .046
H11B    .9974   .0451   .8289       .046
OW12    .6816  -.0963   .6487      .0387  .0419  .0461  .0448  .0165  .0231  .0299
H12A    .6311  -.1194   .5795       .046
H12B    .6829  -.0313   .6962       .046
OW13    .7301  -.3298   .4698      .0889   .061   .042   .132 -.0128  -.010   .046
H13A    .6872  -.3525   .3945       .107
H13B    .7274  -.3788   .4910       .107
Wat14   .4693   .7833   .3448      .0729   .056   .047   .129  .0149   .054   .038
Wat15   .9132   .5259   .3904       .130   .252   .044   .060   .032   .031   .011
Wat16   .6569   .4376   .3695       .170   .264   .042   .119  -.030  -.023   .033
Wat17   .1280   .5998   .4224      .0976   .096   .115   .090  -.016   .018   .069
Wat18   .5118   .5130   .4582 .287  .099
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