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Ferrilotharmeyerite |
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Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
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European Journal of Mineralogy 10 (1998) 179-206 |
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Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
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tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
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_database_code_amcsd 0006708 |
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9.010 6.246 7.391 90 115.52 90 C2/m |
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atom x y z occ Biso |
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CaMe1 0 0 0 .92 |
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FeMe2 .25 .25 .5 .497 .73 |
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ZnMe2 .25 .25 .5 .503 .73 |
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AsX .91466 .5 .20451 .60 |
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OH1 .3439 .5 .4083 .92 |
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O2 .3183 0 .3621 1.12 |
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O3 .0339 .2798 .2453 .89 |
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O4 .2429 .5 .0206 1.24 |
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Thometzekite |
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Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
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European Journal of Mineralogy 10 (1998) 179-206 |
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Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
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tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
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_database_code_amcsd 0006709 |
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9.077 6.300 7.661 90 116.99 90 C2/m |
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atom x y z occ Biso |
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PbMe1 0 0 0 2.38 |
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CuMe2 .25 .25 .5 1.44 |
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AsX .9167 .5 .2097 .617 1.45 |
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SX .9167 .5 .2097 .383 1.45 |
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OH1 .3426 .5 .4204 1.91 |
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O2 .3083 0 .3267 2.31 |
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O3 .0308 .2887 .2623 1.83 |
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O4 .2084 .5 .0180 2.82 |
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Mounanaite |
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Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
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European Journal of Mineralogy 10 (1998) 179-206 |
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Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
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tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
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_database_code_amcsd 0006710 |
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9.294 6.166 7.713 90 115.57 90 C2/m |
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atom x y z Biso |
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PbMe1 0 0 0 1.82 |
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FeMe2 .25 .25 .5 1.51 |
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VX .9228 .5 .2256 1.29 |
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F1 .3368 .5 .4183 1.43 |
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O2 .3185 0 .3722 2.00 |
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O3 .0406 .2729 .2663 1.40 |
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O4 .2125 .5 -.0053 1.72 |
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Gartrellite |
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Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
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European Journal of Mineralogy 10 (1998) 179-206 |
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Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
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tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
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_database_code_amcsd 0006711 |
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5.431 5.642 7.573 67.62 69.57 70.31 P-1 |
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atom x y z Biso |
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PbMe1 0 0 0 .07 |
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FeMe2 0 .5 .5 1.40 |
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CuMe2 .5 0 .5 1.40 |
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AsX .4100 .4347 .7920 1.00 |
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OH1 .146 .171 .4198 .62 |
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O2 .284 .306 .6702 .62 |
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O3a .251 .685 .2815 .62 |
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O3b .686 .230 .2723 .62 |
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O4 .261 .275 .0366 .62 |
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Helmutwinklerite |
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Krause W, Belendorff K, Bernhardt H J, McCammon C A, Effenberger H, Mikenda W |
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European Journal of Mineralogy 10 (1998) 179-206 |
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Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, |
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tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite |
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_database_code_amcsd 0006712 |
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5.606 5.610 7.617 70.19 69.91 69.18 P-1 |
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atom x y z Biso |
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PbMe1 0 0 0 2.72 |
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Zn1 0 .5 .5 1.82 |
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Zn2 .5 0 .5 1.84 |
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AsX .42101 .42320 .77763 1.74 |
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OH1 .1554 .1572 .4059 3.10 |
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O2 .3131 .3093 .6509 1.89 |
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O3a .2495 .6831 .2581 2.56 |
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O3b .6842 .2471 .2610 2.42 |
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O4 .2786 .2874 .0085 5.03 |
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Na3SbS4*9H2O |
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Mereiter K, Preisinger A, Guth H, Heger G, Hiebl K, Mikenda W |
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Zeitschrift fur Kristallographie 150 (1979) 215-229 |
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Hydrogen bonds in Schlippe's salt, Na3SbS4*9H2O and Na3SbS4*9D2O: |
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Diffraction and spectroscopic studies in the temperature range of |
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75K to 295 K |
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Note: sample at T = 105 K |
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_database_code_amcsd 0010815 |
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11.878 11.878 11.878 90 90 90 P2_13 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 .29175 .29175 .29175 .72 .0091 .0091 .0091 0 0 0 |
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Na2 .44977 .44977 .44977 .66 .0083 .0083 .0083 0 0 0 |
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Na3 .60484 .60484 .60484 .66 .0084 .0084 .0084 0 0 0 |
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Sb .03840 .03840 .03840 .52 .0066 .0066 .0066 0 0 0 |
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S1 .92520 .92520 .92520 .79 .0100 .0100 .0100 0 0 0 |
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S2 .15051 .15032 .92169 .58 .0042 .0101 .0078 .0009 .0015 .0004 |
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O1 -.02558 .36670 .92586 .65 .0097 .0070 .0081 .0009 .0011 -.0010 |
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O2 .18500 .69551 .99234 .74 .0091 .0095 .0095 -.0011 .0000 -.0026 |
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O3 .10095 .25624 .33022 .82 .0083 .0093 .0137 .0012 .0007 .0006 |
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D1 .02305 .30139 .92029 1.73 .0242 .0170 .0247 .0073 .0010 -.0036 |
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D2 -.07450 .36616 .86074 1.54 .0208 .0216 .0160 -.0003 -.0055 -.0018 |
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D3 .25285 .66112 .02037 1.81 .0185 .0247 .0255 .0033 -.0055 -.0005 |
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D4 .16960 .75891 .04109 1.75 .0259 .0192 .0213 .0009 .0001 -.0057 |
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D5 .04849 .22898 .27438 2.17 .0227 .0306 .0292 -.0043 -.0081 .0050 |
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D6 .05965 .30799 .37455 2.84 .0363 .0207 .0509 .0055 .0206 -.0061 |
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Zeophyllite |
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Mikenda W, Pertlik F, Povondra P, Ulrych J |
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Mineralogy and Petrology 61 (1997) 199-209 |
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On zeophyllite from Radejcin, Ceske stredohori Mts.: X-ray and IR-investigations |
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Locality: Alter Berg, Radzein |
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Note: z-coordinate of Si2 was changed from 0.70304 to 0.07304 to match reported bond lengths |
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_database_code_amcsd 0014639 |
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9.377 9.377 36.57 90 90 120 R-3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 0 0 0 .0147 .0147 .0159 0 0 .0073 |
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Ca2 .14739 .43212 .01306 .0104 .0105 .0155 .0003 .0001 .0027 |
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Ca3 .35721 .46172 .09488 .0129 .0148 .0179 -.0002 -.0003 .0036 |
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Si1 0 0 .11682 .0168 .0168 .0141 0 0 .0084 |
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Si2 .30188 .08902 .07304 .0096 .0099 .0137 -.0001 .0001 .0028 |
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Si3 2/3 1/3 .06523 .0133 .0133 .0120 0 0 .0067 |
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O1 0 0 .16056 .0332 .0332 .0217 0 0 .0166 |
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O2 .1842 .1290 .09947 .0135 .0132 .0207 -.0003 .0023 .0038 |
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O3 .4807 .2588 .08129 .0102 .0132 .0160 -.0006 .0002 .0027 |
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O4 .0749 .3811 .08284 .0126 .0106 .0239 -.0005 -.0009 .0023 |
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O5 2/3 1/3 .02143 .0190 .0190 .0124 0 0 .0095 |
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O6 .2521 .0802 .03057 .0137 .0012 .0145 .0031 -.0009 -.0005 |
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F1 .3887 .4388 .03029 .0156 .0141 .0173 -.0008 -.0004 .0044 |
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F2 1/3 2/3 .05388 .0203 .0203 .0191 0 0 .0102 |
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F3 1/3 2/3 .12686 .0356 .0356 .0281 0 0 .0178 |
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Oh2 .4630 .4466 .15352 .0482 .0577 .0289 .0008 -.0035 .0191 |
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H1 .376 .363 .1665 .015 |
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H2 .576 .469 .1604 .015 |
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Kleinite |
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Giester G, Mikenda W, Pertlik F |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 49-56 |
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Kleinite from Terlingua, Brewster County, Texas: Investigations |
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by single crystal X-ray diffraction, and vibrational spectroscopy |
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Locality: Terlingua, Brewster County, Texas, USA |
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_database_code_amcsd 0014883 |
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6.762 6.762 11.068 90 90 120 P6_3/mmc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Hg1 1/3 2/3 .25 .027 .027 .005 .0135 0 0 |
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Hg2 .5 0 0 .024 .021 .008 .0120 0 0 |
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N 1/3 2/3 .0625 .020 |
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S1 0 0 .25 .25 .090 .090 .283 .045 0 0 |
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S2 -.0364 -.0728 .25 .25 .036 .064 .019 .018 0 0 |
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Cl 0 0 0 .072 .072 .072 .036 0 0 |
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Wat1 .6062 .8031 .75 .1 .039 .064 .026 .019 0 0 |
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Wat2 .6682 .8341 .0000 .1 .038 |
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Wat3 1/3 2/3 .75 .1 .089 |
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