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Hydroromarchite |
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Abrahams I, Grimes S M, Johnston S R, Knowles J C |
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Acta Crystallographica C52 (1996) 286-288 |
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Tin(II) oxyhydroxide by X-ray powder diffraction |
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Locality: synthetic |
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7.9268 7.9268 9.1025 90 90 90 P-42_1c |
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atom x y z Uiso |
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Sn1 .1218 .2917 -.0038 .027 |
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Sn2 0 0 .2757 .032 |
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O2 -.0974 .1945 .1277 .019 |
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OH1 .2606 .0900 .1730 .019 |
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Shakhovite |
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Tillmanns E, Krupp R, Abraham K |
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Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 227-235 |
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New data on the mercury antimony mineral shakhovite: Chemical composition, |
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unit cell and crystal structure |
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Locality: Moschellandsberg, Palatinate, Germany |
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4.871 15.098 5.433 90 98.86 90 Im |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Hg1 0 .11845 0 .01824 .00084 .00893 .00110 .00164 .00009 |
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Hg2 .3607 .78042 .5170 .01802 .00087 .01362 .00106 .00164 -.00018 |
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Sb .4169 0 .4882 .00280 .00069 .00373 0 .00029 0 |
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O1 .722 .5 .636 .01187 .00011 .00694 0 .00096 0 |
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O2 .680 .5954 .090 .00755 .00076 .00867 .00137 .00096 .00061 |
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OH3 .153 .5959 .887 .00755 .00142 .00780 -.00068 .00290 .00092 |
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OH4 .153 .5 .333 .00431 .00153 .00433 0 .00000 0 |
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Wakefieldite-(Ce) |
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Chakoumakos B C, Abraham M M, Boatner L A |
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Journal of Solid State Chemistry 109 (1994) 197-202 |
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Crystal structure refinements of zircon-type |
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MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu) |
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Locality: synthetic |
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7.4004 7.4004 6.4972 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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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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Ce 0 .75 .125 .0041 .0078 .0078 -.0031 0 0 0 |
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V 0 .25 .375 .0050 |
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O 0 .4279 .2067 .0097 .0194 .0079 .0015 0 0 .0007 |
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Wakefieldite-(Y) |
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Chakoumakos B C, Abraham M M, Boatner L A |
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Journal of Solid State Chemistry 109 (1994) 197-202 |
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Crystal structure refinements of zircon-type |
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MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu) |
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Locality: synthetic |
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7.1183 7.1183 6.2893 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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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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Y 0 .75 .125 .0040 .0041 .0041 .0037 0 0 0 |
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V 0 .25 .375 .005 |
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O 0 .4342 .2008 .0073 .0131 .0041 .0047 0 0 .0014 |
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Ludlamite |
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Abrahams S C, Bernstein J L |
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Journal of Chemical Physics 44 (1966) 2223-2229 |
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Crystal structure of paramagnetic ludlamite, Fe3(PO4)2*4(H2O), at 298 K |
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Sample: T = 298 K |
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10.541 4.646 9.324 90 100.430 90 P2_1/a |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .00164 .00875 .00193 0 .00037 0 |
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Fe2 .17324 .06801 .32881 .00146 .00959 .00225 .00032 .00040 .00015 |
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P .45353 .96908 .23790 .00118 .00713 .00181 .00013 .00036 -.00004 |
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O1 .0345 .7847 .1976 .0021 .0102 .0026 -.0008 .0005 .0007 |
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O2 .4087 .1565 .1007 .0017 .0102 .0025 -.0002 .0005 .0009 |
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O3 .3326 .8543 .2907 .0017 .0090 .0030 -.0003 .0009 .0006 |
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O4 .0357 .3518 .3588 .0019 .0114 .0024 .0010 .0003 .0008 |
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O5 .1708 .2422 .1019 .0016 .0119 .0034 .0003 .0006 .0013 |
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O6 .3282 .3873 .4563 .0022 .0121 .0030 .0002 .0006 -.0004 |
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H1 .149 .414 .059 2.5 |
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H2 .244 .161 .094 2.5 |
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H3 .341 .567 .398 2.5 |
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H4 .377 .287 .453 2.5 |
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Ludlamite |
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Abrahams S C |
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Journal of Chemical Physics 44 (1966) 2230-2237 |
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Ferromagnetic and crystal structure of ludlamite, Fe3(PO4)2*4(H2O), at 4.2 K |
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Sample: T = 4.2 K |
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10.541 4.638 9.285 90 100.728 90 P2_1/a |
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atom x y z Biso |
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Fe1 0 0 0 .18 |
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Fe2 .1727 .0729 .3287 .26 |
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P .4524 .9724 .2372 .30 |
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O1 .0353 .7837 .2003 .64 |
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O2 .4086 .1544 .0989 .39 |
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O3 .3324 .8515 .2919 .33 |
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O4 .0344 .3551 .3596 .70 |
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O5 .1702 .2412 .0992 .39 |
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O6 .3265 .3846 .4539 .38 |
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H1 .1429 .4321 .0639 2.26 |
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H2 .2650 .2035 .0918 1.60 |
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H3 .3304 .5676 .3953 1.42 |
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H4 .4064 .2780 .4443 1.33 |
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Gallite |
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Abrahams S C, Bernstein J L |
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Journal of Chemical Physics 59 (1973) 5415-5420 |
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Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: |
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Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites |
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Locality: Synthetic sample |
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5.34741 5.34741 10.47429 90 90 90 I-42d |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu 0 0 0 1.42 .01179 .01179 .00306 0 0 0 |
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Ga 0 0 .5 .76 .00691 .00691 .00182 0 0 0 |
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S .25385 .25 .125 .83 .00097 .01680 .00178 0 0 .00035 |
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Roquesite |
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Abrahams S C, Bernstein J L |
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Journal of Chemical Physics 59 (1973) 5415-5420 |
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Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: |
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Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites |
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Note: Synthetic sample |
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5.52279 5.52279 11.13295 90 90 90 I-42d |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu 0 0 0 1.60 .01315 .01315 .00317 0 0 0 |
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In 0 0 .5 1.02 .00851 .00851 .00198 0 0 0 |
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S .22946 .25 .125 1.02 .00918 .00694 .00210 0 0 -.0019 |
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Hentschelite |
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Sieber N H W, Hofmeister W, Tillmanns E, Abraham K |
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Fortschritte der Mineralogie 62 (1984) 231-232 |
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Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw |
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Locality: Reichenbach, Germany |
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6.977 7.781 7.260 90 117.68 90 P2_1/n |
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atom x y z Uiso |
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Cu 0 0 0 .0090 |
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Fe .28000 .27388 .01234 .0068 |
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P .50023 .09689 .74830 .0047 |
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O1 .2931 .9895 .6352 .0093 |
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O2 .4757 .2150 .9023 .0113 |
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O3 .6903 .9683 .8625 .0093 |
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O4 .5505 .2036 .5991 .0103 |
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OH5 .5232 .3714 .2712 .0072 |
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Cornubite |
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Sieber N H W, Hofmeister W, Tillmanns E, Abraham K |
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Fortschritte der Mineralogie, Beiheft 62 (1984) 231-232 |
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Neue mineraldaten fur kupferphosphate und -arsenate von Reichenbach/Odw |
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Locality: Reichenbach, Germany |
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6.121 6.251 6.790 92.93 111.30 107.47 P-1 |
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atom x y z Biso |
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Cu1 0 0 0 .54 |
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Cu2 .99594 .32402 .33203 .62 |
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Cu3 .50677 .32154 .32393 .54 |
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As .44718 .17614 .79809 .48 |
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O2 .8386 .9905 .2147 .71 |
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O3 .6034 .0162 .7386 .74 |
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O5 .3818 .3395 .6067 .67 |
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O6 .3650 .6572 .9623 .78 |
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OH1 .8327 .6883 .8602 .56 |
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OH4 .8383 .3443 .5329 .59 |
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Ag2(UO2)2V2O8 |
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Abraham F, Dion C, Tancret N, Saadi M |
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Advanced Materials Research 1 (1994) 511-520 |
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Ag2(UO2)2V2O8: a new compound with the carnotite structure. Synthesis, |
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structure and properties |
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5.8952 8.3541 10.4142 90 100.56 90 P2_1/c |
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atom x y z Biso |
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Ag .5405 .2234 .3360 2.3 |
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U -.0178 .0214 .1823 .4 |
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V .1351 .3500 .0408 .8 |
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O1 .056 .148 .010 1.34 |
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O2 .406 .355 .033 1.34 |
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O3 .663 .081 .143 1.34 |
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O4 .143 .287 .204 1.34 |
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O5 .278 -.041 .226 1.34 |
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O6 -.090 .436 -.099 1.34 |
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