American Mineralogist Crystal Structure Database

18 matching records for this search.

Clarkeite
Download hom/clarkeite.pdf
Finch R J, Ewing R C
Download am/vol82/AM82_607.pdf
American Mineralogist 82 (1997) 607-619
Clarkeite: New chemical and structural data
_database_code_amcsd 0001902
3.954 3.954 17.660 90 90 120 R-3m
atom x y     z Biso
U    0 0     0  .29
Na   0 0    .5  .54
O1   0 0 .1069  .42
O2   0 0 .3488  .42
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Wyartite
Download hom/wyartite.pdf
Burns P C, Finch R J
Download am/vol84/AM84_1456.pdf
American Mineralogist 84 (1999) 1456-1460
Wyartite: Crystallographic evidence for the first pentavalent-uranium mineral
_database_code_amcsd 0002316
11.2706 7.1055 20.807 90 90 90 P2_12_12_1
atom       x     y      z  Uiso
U1     .5595 .2892 .23948 .0113
U2    -.0593 .2897 .23585 .0109
U3     .2490 .2919 .28343 .0117
Ca    -.0734 .4322  .0469 .0232
C       .241  .240   .423 .0320
O1      .511  .310   .154 .0197
O2     -.011  .314   .156 .0206
O3      .110  .109  .2515 .0062
O4      .388  .105   .267 .0182
O5      .610  .282  .3205 .0050
O6     -.112  .240   .316 .0281
O7      .100  .463   .278 .0152
O8      .390  .474   .272 .0158
O9      .187  .126   .380 .0373
O10     .224  .211  .4817 .0034
O11     .286  .384  .3966 .0034
OH12    .752  .285  .1980 .0156
Wat13  -.252  .235  .0522 .0367
Wat14   .254  .363  .1670 .0308
Wat15   .459  .028  .0668 .0358
Wat16   .093  .629   .053 .0161
Wat17   .045  .159   .016 .0084
Wat18   .209  .036   .103 .0091
Wat19  -.079 -.082  -.058 .0254
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: pure zircon #38
_database_code_amcsd 0002643
6.6102 6.6102 5.986 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0657 .1961   .010   .006   .003      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Dy (15)
_database_code_amcsd 0002644
6.6139 6.6139 5.985 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0658 .1954   .012   .009   .008      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Dy (12)
_database_code_amcsd 0002645
6.6175 6.6175 5.989 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0658 .1955   .011   .007   .007      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Sm+P (28)
_database_code_amcsd 0002646
6.6119 6.6119 5.983 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0658 .1953   .009   .006   .006      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Gd+P (30)
_database_code_amcsd 0002647
6.6213 6.6213 5.9879 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0660 .1959   .008   .006   .005      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Dy+P (33)
_database_code_amcsd 0002648
6.626 6.626 5.986 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0664 .1963   .008   .005   .005      0      0   .000
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View JMOL 3-D Structure (permalink)
 
Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Er+P (36)
_database_code_amcsd 0002649
6.6355 6.6355 5.989 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0663 .1964   .010   .007   .006      0      0   .000
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View JMOL 3-D Structure (permalink)
 
Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Yb+P (40)
_database_code_amcsd 0002650
6.6265 6.6265 5.979 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0664 .1965   .009   .006   .006      0      0   .000
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Zircon
Download hom/zircon.pdf
Finch R J, Hanchar J M, Hoskin P W O, Burns P C
Download am/vol86/AM86_681.pdf
American Mineralogist 86 (2001) 681-689
Rare-earth elements in synthetic zircon: Part 2. A single-crystal
X-ray study of xenotime substitution
Sample: Y+P (43)
_database_code_amcsd 0002651
6.6329 6.6329 5.986 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si   0   .75   5/8
Zr   0   .75   1/8
O    0 .0663 .1964   .008   .007   .006      0      0   .000
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Schoepite
Download hom/schoepite.pdf
Finch R J, Cooper M A, Hawthorne F C, Ewing R C
Download cm/vol34/CM34_1071.pdf
The Canadian Mineralogist 34 (1996) 1071-1088
The crystal structure of schoepite, [(UO2)8O2(OH)12](H2O)12
_database_code_amcsd 0005517
14.337 16.813 14.731 90 90 90 P2_1ca
atom       x      y     z  Uiso
U1     .2591  .5132 .7583 .0111
U2     .0276  .3775 .7628 .0136
U3     .2792  .7451 .7474 .0123
U4    -.0008  .6127 .7497 .0122
U5     .2797  .0134 .7406 .0100
U6     .0117  .8772 .7631 .0071
U7     .2607  .2450 .7520 .0084
U8     .0398  .1132 .7500 .0084
O1     .2786  .5016 .6402 .0150
O2     .2473  .5218 .8791 .0077
O3     .0229  .3409 .6490 .0160
O4     .0302  .4156 .8724 .0109
O5     .2344  .7381 .6367 .0215
O6     .3262  .7618 .8593 .0113
O7     .0162  .6487 .6383 .0429
O8    -.0041  .5815 .8689 .0099
O9     .3063  .0221 .6248 .0198
O10    .2575 -.0092 .8559 .0236
O11    .0124  .9067 .8803 .0142
O12    .0057  .8446 .6484 .0151
O13    .2249  .2533 .6364 .0256
O14    .2980  .2352 .8685 .0182
O15    .0431  .0800 .8616 .0203
O16    .0345  .1425 .6332 .0063
O17   -.1530  .6265 .7408 .0103
O18    .1985  .1205 .7619 .0103
OH1    .3412  .8803 .7036 .0094
OH2    .4180  .4814 .7885 .0111
OH3    .1612  .6457 .7802 .0123
OH4    .1578  .8270 .7948 .0141
OH5   -.0372  .7429 .7985 .0084
OH6    .1026  .5020 .7041 .0087
OH7    .2083  .3751 .7845 .0094
OH8    .1222 -.0209 .7053 .0111
OH9    .3835  .1501 .7099 .0123
OH10   .3881  .3213 .6980 .0141
OH11   .0907  .2490 .8053 .0084
OH12   .4422 -.0010 .7811 .0087
Wat1   .3221 -.1226 .5227 .0291
Wat2   .4091  .5197 .4790 .0189
Wat3   .1703  .3499 .4761 .0169
Wat4   .1874  .1324 .4837 .0276
Wat5   .4822  .7469 .5139 .0420
Wat6   .1038  .5038 .5341 .0209
Wat7   .2434  .6184 .4811 .0330
Wat8   .1451 -.0423 .5225 .0501
Wat9   .3871  .1600 .5295 .0456
Wat10  .3595  .3528 .5145 .0329
Wat11  .0895  .7612 .4862 .0493
Wat12  .4307  .0066 .4664 .0194
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Rutherfordine
Download hom/rutherfordine.pdf
Finch R J, Cooper M A, Hawthorne F C, Ewing R C
Download cm/vol37/CM37_929.pdf
The Canadian Mineralogist 37 (1999) 929-938
Refinement of the crystal structure of rutherfordine
_database_code_amcsd 0005627
4.840 9.273 4.298 90 90 90 Imm2
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U        0      0      0  .0055  .0312  .0076      0      0      0
C      1/2      0  .3864  .0120  .0285  .0097      0      0      0
O1       0 -.1880 -.0049  .0309  .0279  .0263      0      0  .0027
O2   .2638      0  .5066  .0083  .0448  .0166      0  .0039      0
O3     1/2      0  .0795  .0104  .0979  .0090      0      0      0
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Na2[(UO2)(MoO4)2]
 
Krivovichev S V, Finch R J, Burns P C
Download cm/vol40/CM40_193.pdf
The Canadian Mineralogist 40 (2002) 193-200
Crystal chemistry of uranyl molybdates. V. Topologically distinct
uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2]
and K2[(UO2)(MoO4)2](H2O)
_database_code_amcsd 0005763
7.2298 11.3240 12.0134 90 90 90 P2_12_12_1
atom       x      y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U     .82238 .76038  .23117 .0177  .0125  .0285  .0121  .0009   -.00  .0008
Mo(1)  .3355 .71338  .09927 .0214  .0106  .0396  .0141  .0019 -.0003 -.0027
Mo(2)  .5802 .66610  .48552 .0206  .0159  .0279  .0179 -.0016  .0019  .0000
Na(1)  .5822  .9483   .5702  .034   .032   .031   .041  -.005  -.009  -.003
Na(2)  .4098  .9395   .3055  .044   .049   .045   .038   .022  -.003  -.011
O(1)    .790  .6035   .2488  .026   .029   .022   .027   .004  -.004  -.002
O(2)    .853  .9156   .2153  .030   .026   .030   .034  -.004   .002   .003
O(3)    .395  .5652   .0950  .044   .027   .063   .042   .004  -.001  -.003
O(4)   .5156  .7372   .6135  .026   .021   .042   .016  -.005   .007   .000
O(5)   .6318  .7830   .3881  .025   .014   .038   .023   .006   .009   .003
O(6)    .311  .7666  -.0375  .047   .033   .091   .017   .007   .006  -.002
O(7)    .775  .5805   .5097  .033   .026   .041   .032   .009   .002   .004
O(8)    .402  .5806   .4337  .043   .036   .041   .052  -.013  -.003  -.001
O(9)   .5100  .7949   .1727  .031   .013   .052   .029   .004  -.010   .005
O(10)  .1256   .731   .1719  .054   .015   .101   .047   .014   .011  -.015
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K2[(UO2)(MoO4)2](H2O)
 
Krivovichev S V, Finch R J, Burns P C
Download cm/vol40/CM40_193.pdf
The Canadian Mineralogist 40 (2002) 193-200
Crystal chemistry of uranyl molybdates. V. Topologically distinct
uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2]
and K2[(UO2)(MoO4)2](H2O)
_database_code_amcsd 0005764
7.893 10.907 13.558 90 98.70 90 P2_1/c
atom       x      y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U     .47673 .74106  .14526 .0198  .0258  .0194  .0146    .00    .00   -.00
Mo(1)  .5111 .60157 -.09570 .0221  .0356  .0174  .0143 -.0022  .0075 -.0001
Mo(2)  .7606 .95588 -.14068 .0217  .0260  .0202  .0194  .0010  .0055 -.0008
K(1)   .2420  .9161  -.1276  .091   .098   .098   .076   .014   .009   .002
K(2)   .9363  .6679   .0946  .100   .062   .147   .089   .011   .007   .000
O(1)   .4234  .4488  -.0834  .022   .031   .019   .016   .004   .005   .003
O(2)    .429  .7235  -.0303  .035   .062   .026   .015   .016   .002   .001
O(3)    .280  .6679   .1561  .036   .027   .042   .041  -.005   .014  -.006
O(4)    .671  .0829  -.0827  .033   .051   .028   .016   .013  -.001  -.000
O(5)    .675  .8148   .1392  .035   .038   .033   .036  -.005   .012  -.001
O(6)    .432  .6336  -.2214  .034   .059   .028   .015  -.013   .008  -.004
O(7)    .868  .8709  -.0442  .037   .039   .038   .034   .005   .004  -.002
O(8)    .598  .8628  -.2118  .035   .050   .029   .026  -.007  -.001   .001
O(9)    .731  .6029  -.0853  .033   .034   .034   .033  -.004   .010   .000
O(10)   .910  .9994  -.2150  .047   .043   .060   .042   .005   .020   .019
Wat11   .979   .209   -.311  .084
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Billietite
Download hom/billietite.pdf
Finch R J, Burns P C, Hawthorne F C, Ewing R C
Download cm/vol44/CM44_1197.pdf
The Canadian Mineralogist 44 (2006) 1197-1205
Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8
Locality: Shaba, Democratic Republic of Congo
_database_code_amcsd 0006120
12.0941 30.211 7.1563 90 90 90 Pbn2_1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba   .63786 .87627  .3155 .0206  .0185  .0213  .0220 -.0011  .0003  .0005
U1   .55842 .74671 .00092 .0110  .0093  .0153  .0084 -.0003 -.0001 -.0001
U2   .74723 .73833  .5391 .0116  .0079  .0154  .0115 -.0001 -.0005  .0006
U3   .93753 .74265 .99884 .0108  .0083  .0156  .0085  .0006 -.0001 -.0005
U4   .55865 .00466 .01958 .0113  .0091  .0172  .0076 -.0004 -.0005 -.0004
U5   .94118 .00557 .01401 .0115  .0093  .0173  .0079  .0003  .0004 -.0005
U6   .74929 .01411  .4481 .0113  .0067  .0166  .0104  .0002  .0000 -.0006
O1    .5213  .6903   .952 .0200
O2    .5990  .8024   .058 .0176
O3    .7431  .6804   .599 .0183
O4    .7464  .7936   .445 .0171
O5    .9753  .6866   .952 .0169
O6    .8993  .7983   .052 .0202
O7    .6062  .9477   .032 .0232
O8    .5115  .0616   .011 .0166
O9    .8965  .9494   .980 .0230
O10   .9835  .0624   .039 .0190
O11   .7381  .9538   .473 .0194
O12   .7547  .0733   .432 .0116
OH13  .6016  .7238   .322 .0139
O14   .5935  .7558   .691 .0157
O15   .9038  .7496   .688 .0107
OH16  .8912  .7211   .322 .0139
OH17  .7464  .7244   .968 .0184
O18   .5779  .0136   .326 .0166
OH19  .6147  .0210   .697 .0137
OH20  .8880  .0229   .691 .0128
O21   .9161  .0043   .325 .0205
OH22  .7492  .0272   .076 .0152
OW23  .7739  .8733   .995 .0302
OW24  .9220  .6312   .314 .0319
OW25  .4129  .8883   .202 .0327
OW26  .9179  .1144   .690 .0382
OW27  .5645  .6345   .300 .0411
OW28  .7419  .6249   .025 .0539
OW29   .634  .8602   .696 .0523
OW30   .864  .8755   .390 .0452
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Wyartite
Download hom/wyartite.pdf
Hawthorne F C, Finch R J, Ewing R C
Download cm/vol44/CM44_1379.pdf
The Canadian Mineralogist 44 (2006) 1379-1385
The crystal structure of dehydrated wyartite, Ca(CO3)[U5+(U6+O2)2O4(OH)]
(H2O)3
Locality: Shinkolobwe mine, Shaba, Democratic Republic of Congo
_database_code_amcsd 0006129
11.2610 7.0870 16.8359 90 90 90 Pmcn
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1      .25  .2881  .4443 .70 .0343  .0312   .051   .020      0      0   .004
Ca2      .25  .3941  .4537 .30  .019   .029   .022   .006      0      0   .003
U1   -.06061 .88930 .26385     .0113  .0077  .0072  .0190 -.0001  .0013 -.0008
U2       .25 .89101 .20930     .0112  .0064  .0075  .0198      0      0 -.0011
C        .25  .6211  .5337 .70  .040   .031   .014   .076      0      0   .017
O1     .1166  .3712  .3367      .024   .014   .032   .026  -.005   .000   .007
O2    -.0055  .9067  .3647     .0242   .027   .026   .020  -.006   .004  -.003
O3     .1087  .7068  .2326     .0213   .009   .014   .041   .002   .001  -.001
O4     .1032  .0698  .2212     .0165   .014   .009   .026   .000   .003   .003
O5      -.25  .8874  .3158     .0190   .005   .027   .025      0      0   .004
Wat1     .25  .9314  .3555      .042   .057   .057   .012      0      0  -.000
O7c      .25   .626  .4588 .70  .072   .081   .089   .044      0      0  -.004
OH7      .25   .626  .4588 .30  .072   .081   .089   .044      0      0  -.004
O8c      .25   .468  .5723 .70  .097   .109   .105   .077      0      0   .050
OH8      .25   .468  .5723 .30  .097   .109   .105   .077      0      0   .050
O9Ac     .25   .745  .5852 .70  .083
O9B      .25   .074   .511 .30  .083
Wat2   .0530   .222  .4848 .33  .030
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Ianthinite
Download hom/ianthinite.pdf
Burns P C, Finch R J, Hawthorne F C, Miller M L, Ewing R C
 
Journal of Nuclear Materials 249 (1997) 199-206
The crystal structure of ianthinite, [U4+2(UO2)4O6(OH)4](H2O)5: a possible
phase for Pu4+ incorporation during the oxidation of spent nuclear fuel
Locality: Shinkolobwe mine, Shaba, southern Congo
_database_code_amcsd 0013139
7.178 11.473 30.39 90 90 90 P2_1cn
atom      x     y      z occ  Uiso
U1        0  .059  .0057     .0427
U2     .012 -.249 -.0117     .0732
U3     .013 -.558  .0077     .0552
U4     .008 -.496  .2397     .0050
U5     .005 .8140  .2567     .0040
U6     .013 .1929  .2557     .0011
O1     .083  .043   .061     .0050
O2    -.016  .060  -.054     .0050
O3     .000 -.522   .065     .0050
O4     .008 -.593  -.050     .0050
O5     .013  .764   .313     .0050
O6     .002  .857   .200     .0050
O7     .004  .218   .314     .0050
O8     .008  .133   .201     .0050
O9    -.169 -.111  -.004     .0050
O10   -.166 -.420  -.020     .0050
O11    .186 -.366   .240     .0050
O12    .837 -.358   .241     .0050
O13    .822 -.633   .244     .0050
O14    .201 -.634   .238     .0050
OHl    .198 -.128  -.046     .0067
OH2    .009  .234   .034     .0067
OH3    .213 -.377  -.040     .0067
OH4    .057 -.013   .285     .0067
Wat1   .025 -.262  -.095     .0142
Wat2   .014 -.519   .163     .0142
Wat3  -.001 -.520   .317     .0142
Wat4   .013 -.236   .066     .0142
Wat5   .801  .910   .126     .0142
Wat6   .226  .890   .141     .0142
Wat7   .732  .090   .121     .0142
Wat8   .291  .120   .134     .0142
Wat9a  .670  .469   .130 1/3 .0100
Wat9b  .858 -.470  -.128 1/3 .0100
Wat9c  .006 -.598   .130 1/3 .0100
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Total number of retrieved datasets: 18
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