American Mineralogist Crystal Structure Database

16 matching records for this search.

Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample M28658 natural from Maevatanana, Malagasy Republic
_database_code_amcsd 0001353
6.549 8.695 7.060 90 113.87 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .1677   .75  .0072  .0071  .0254      0 -.0005      0
Ti       0    .5     0  .0047  .0081  .0178 -.0002  .0017  .0045
Si       0 .1828   .25  .0042  .0059  .0070      0  .0019      0
O1       0 .5714   .25  .0118  .0083  .0082      0  .0055      0
O2   .1855 .0663 .4102  .0057  .0090  .0110  .0007  .0020  .0017
O3   .1025 .2893 .1185  .0068  .0088  .0098  .0001  .0037  .0008
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View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample M28658 annealed at 1090 C, from Maevatanana, Malagasy Republic
_database_code_amcsd 0001354
6.539 8.692 7.037 90 113.79 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .1681   .75  .0070  .0055  .0233      0 -.0010      0
Ti       0    .5     0  .0048  .0059  .0145  .0001  .0018  .0047
Si       0 .1830   .25  .0046  .0034  .0055      0  .0017      0
O1       0 .5706   .25  .0145  .0071  .0058      0  .0056      0
O2   .1854 .0666 .4107  .0065  .0071  .0099  .0005  .0015  .0010
O3   .1024 .2896 .1177  .0064  .0064  .0074  .0022  .0031  .0033
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View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample E2312 natural, from Sebastapol Twp., Ontario
_database_code_amcsd 0001355
6.554 8.708 7.069 90 113.93 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .1675   .75  .0090  .0072  .0309      0 -.0013      0
Ti       0    .5     0  .0072  .0087  .0174  .0041  .0025  .0000
Si       0 .1830   .25  .0065  .0064  .0078      0  .0025      0
O1       0 .5719   .25  .0127  .0081  .0087      0  .0047      0
O2   .1855 .0665 .4104  .0082  .0107  .0126  .0018  .0015  .0006
O3   .1027 .2897 .1186  .0098  .0093  .0128  .0018  .0052  .0009
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Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample E2312 annealed at 1090 C, from Sebastapol Twp., Ontario
_database_code_amcsd 0001356
6.547 8.695 7.059 90 113.94 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .1673   .75  .0076  .0061  .0269      0 -.0005      0
Ti       0    .5     0  .0047  .0064  .0152  .0044  .0021 -.0001
Si       0 .1832   .25  .0052  .0050  .0069      0  .0024      0
O1       0 .5717   .25  .0102  .0056  .0072      0  .0049      0
O2   .1857 .0665 .4108  .0070  .0071  .0112  .0012  .0024  .0005
O3   .1030 .2896 .1188  .0076  .0065  .0094  .0015  .0039  .0008
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Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample M28173 natural, from Gjerstad, Norway
_database_code_amcsd 0001357
6.564 8.719 7.057 90 113.79 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .1686   .75  .0105  .0086  .0336      0 -.0022      0
Ti       0    .5     0  .0105  .0123  .0200  .0036  .0036  .0004
Si       0 .1827   .25  .0094  .0084  .0102      0  .0036      0
O1       0 .5717   .25  .0163  .0124  .0138      0  .0057      0
O2   .1851 .0660 .4103  .0117  .0149  .0170  .0019  .0024 -.0004
O3   .1033 .2895 .1188  .0130  .0130  .0169  .0022  .0060  .0016
Download AMC data (View Text File)
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Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample M28173 annealed at 1090 C, from Gjerstad, Norway
_database_code_amcsd 0001358
6.538 8.699 7.044 90 113.76 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .1678   .75  .0061  .0058  .0240      0 -.0018      0
Ti       0    .5     0  .0055  .0076  .0134  .0036  .0018 -.0001
Si       0 .1828   .25  .0060  .0058  .0071      0  .0022      0
O1       0 .5727   .25  .0111  .0089  .0065      0  .0035      0
O2   .1850 .0658 .4113  .0084  .0105  .0170  .0021  .0025  .0011
O3   .1035 .2892 .1187  .0104  .0084  .0169  .0027  .0059  .0010
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample from Cardiff U Mine, Ontario, natural
_database_code_amcsd 0001359
6.607 8.775 7.110 90 114.08 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .1687   .75  .0173  .0165  .0566      0 -.0041      0
Ti       0    .5     0  .0202  .0245  .0405  .0049  .0056  .0015
Si       0 .1835   .25  .0171  .0190  .0241      0  .0049      0
O1       0 .5709   .25  .0227  .0218  .0283      0  .0061      0
O2   .1859 .0664 .4094  .0217  .0274  .0316  .0026  .0039 -.0007
O3   .1019 .2904 .1194  .0198  .0257  .0322  .0031  .0079  .0033
Download AMC data (View Text File)
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Titanite
Download hom/titanite.pdf
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R,
Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S,
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A
Download am/vol76/AM76_370.pdf
American Mineralogist 76 (1991) 370-396
Alpha-decay damage in titanite
sample from Cardiff U Mine, Ontario, annealed at 1090 C
_database_code_amcsd 0001360
6.530 8.677 7.048 90 113.91 90 C2/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca       0 .1669   .75  .0016  .0001  .0194      0 -.0033      0
Ti       0    .5     0  .0039  .0053  .0144 -.0001  .0018  .0049
Si       0 .1835   .25  .0023  .0010  .0024      0  .0016      0
O1       0 .5725   .25  .0070  .0018  .0001      0  .0000      0
O2   .1877 .0668 .4115  .0007  .0054  .0065 -.0009  .0000  .0010
O3   .1034 .2904 .1186  .0032  .0019  .0059  .0012  .0023  .0015
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View JMOL 3-D Structure (permalink)
 
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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View JMOL 3-D Structure (permalink)
 
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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View JMOL 3-D Structure (permalink)
 
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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Thorite
Download hom/thorite.pdf
Taylor M, Ewing R C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=1074
Acta Crystallographica B34 (1978) 1074-1079
The crystal structure of the ThSiO4 polymorphs: huttonite and thorite
Locality: synthetic
_database_code_amcsd 0009633
7.1328 7.1328 6.3188 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Th   0   .75  .125  .30  .0016  .0016  .0015      0      0      0
Si   0   .75  .625  .55
O    0 .0732 .2104  .59
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Huttonite
Download hom/huttonite.pdf
Taylor M, Ewing R C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=1074
Acta Crystallographica B34 (1978) 1074-1079
The crystal structure of the ThSiO4 polymorphs: huttonite and thorite
Locality: synthetic
_database_code_amcsd 0009634
6.784 6.974 6.500 90 104.92 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)
Th   .2828 .1550 .0988  .37  .0029  .0016  .0018 -.0001  .0006  .0003
Si   .3020 .1616 .6117  .46
O1   .3900 .3388 .4967  .55
O2   .4803 .1060 .8234  .49
O3   .1216 .2122 .7245  .55
O4   .2451 .4976 .0626  .85
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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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