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FeFe2(PO3OH)4(H2O)4 |
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Vencato I, Mascarenhas Y P, Mattievich E |
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American Mineralogist 71 (1986) 222-226 |
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The crystal structure of FeFe2(PO3OH)4(H2O)4: a new synthetic |
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compound of mineralogic interest |
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_database_code_amcsd 0001010 |
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5.152 16.629 8.749 90 90.8 90 P2_1/n |
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atom x y z Biso |
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Fe1 .5 .5 .5 1.01 |
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Fe2 .2539 .2029 .3683 .75 |
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P1 .7454 .3060 .4938 .59 |
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P2 .7645 .0794 .3054 .81 |
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O1 .4768 .2988 .4210 1.0 |
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O2 .764 .2648 .6493 1.3 |
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O3 .7872 .4008 .5156 .9 |
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O4 .9579 .2772 .3872 1.0 |
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O5 .0410 .1061 .3417 1.3 |
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O6 .563 .1381 .3559 1.6 |
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O7 .7337 .0573 .1362 1.3 |
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O8 .709 -.0006 .3986 2.6 |
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OW1 .310 .4432 .3059 1.9 |
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OW2 .237 .1769 .6010 1.6 |
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H1W1 .3641 .3933 .3536 1.9 |
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H2W1 .1271 .4381 .2923 1.9 |
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H1W2 .0612 .2001 .6442 1.6 |
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H2W2 .3762 .1948 .6852 1.6 |
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H1 .8738 .4089 .6177 .9 |
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H2 .6415 .0019 .4965 2.6 |
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Lipscombite |
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Vencato I, Mattievich E, Mascarenhas Y P |
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American Mineralogist 74 (1989) 456-460 |
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Crystal structure of synthetic lipscombite: A redetermination |
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_database_code_amcsd 0001230 |
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7.310 7.310 13.212 90 90 90 P4_32_12 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .368 .368 0 .782 0.046 0.046 0.016 -0.026 -0.002 0.002 |
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Fe2 .138 .138 .5 .164 0.031 0.031 0.038 -0.017 -0.027 0.027 |
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Fe3 .1489 .3821 .2458 .0006 0.008 0.030 0 0 0 |
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P .257 .000 .124 0.021 0.007 0.017 0.003 0.005 0.010 |
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O1 .386 .0112 .053 0.028 0.021 0.034 0.007 0.010 -0.012 |
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O2 .134 .129 .184 0.029 0.014 0.037 -0.005 0.009 -0.002 |
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O3 .138 -.132 .062 0.046 0.036 0.048 0.000 -0.006 0.001 |
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O4 .372 -.113 .193 0.028 0.029 0.032 -0.004 -0.015 0.002 |
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OH .012 .235 .373 0.015 0.015 0.010 -0.002 0.004 0.005 |
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Matioliite |
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Atencio D, Coutinho J M V, Mascarenhas Y P, Ellena J A |
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American Mineralogist 91 (2006) 1932-1936 |
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Matioliite, the Mg-analogue of burangaite, from Gentil mine, Mendes Pimentel, |
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Minas Gerais, Brazil, and other occurrences |
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Locality: Gentil mine, Mendes Pimentel, Minas Gerais, Brazil |
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Sample: T = 120 K |
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_database_code_amcsd 0004259 |
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25.075 5.0470 13.4370 90 110.97 90 C2/c |
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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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Na 0 .6488 .25 .029 .028 .028 .030 0 .011 0 |
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Mg .25 .75 .5 .9 .019 .019 .022 .021 0 .011 .005 |
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Fe .25 .75 .5 .1 .031 .040 .005 .039 -.002 .002 -.013 |
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Al1 0 .5 .5 .022 .024 .017 .028 0 .011 -.001 |
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Al3 .1518 .4827 .6099 .022 .024 .016 .026 -.001 .010 -.001 |
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Al4 .1412 .7234 .3518 .020 .024 .014 .024 -.001 .010 0 |
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P1 .2161 .2341 .3281 .020 .025 .013 .024 0 .010 .001 |
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P2 .0807 .2245 .3951 .021 .024 .015 .026 0 .010 -.001 |
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O1 .0918 .4450 .3270 .025 .031 .015 .029 -.003 .013 .001 |
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O2 .0805 .9559 .3422 .023 .029 .014 .028 -.002 .013 -.002 |
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O3 .0213 .2766 .4018 .025 .025 .021 .028 -.001 .010 -.003 |
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O4 .1258 .2215 .5073 .024 .027 .016 .028 .001 .009 0 |
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O5 .1683 .7154 .5098 .022 .028 .016 .026 0 .012 0 |
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O6 .2087 .4948 .3814 .023 .027 .014 .028 .001 .011 -.001 |
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O7 .1972 .0002 .3826 .023 .027 .016 .028 -.002 .011 .002 |
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O8 .1294 .7481 .2054 .023 .026 .016 .026 -.002 .009 .002 |
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O9 .1756 .2440 .2113 .024 .026 .017 .028 -.001 .008 -.001 |
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O10 .2775 .1904 .3411 .026 .028 .020 .031 0 .013 -.001 |
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O11 .0748 .6282 .5645 .025 .027 .017 .032 -.002 .011 -.004 |
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O12 -.0214 .7781 .3972 .026 .026 .019 .030 -.002 .009 .002 |
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H5 .1627 .8143 .5453 .033 |
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H8 .1417 .8647 .1973 .034 |
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H11 .0723 .7290 .6016 .038 |
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H12A -.0109 .9188 .3895 .038 |
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H12B -.0618 .7643 .3588 .038 |
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Menezesite |
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Atencio D, Coutinho J M V, Doriguetto A C, Mascarenhas Y P, Ellena J, Ferrari V C |
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American Mineralogist 93 (2008) 81-87 |
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Menezesite, the first natural heteropolyniobate, from Cajati, Sao Paulo, Brazil: |
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description and crystal structure |
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Locality: Jacupiranga mine, Cajati county, Sao Paulo, Brazil |
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_database_code_amcsd 0004492 |
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13.017 13.017 13.017 90 90 90 Im3 |
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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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NbA 0 .1174 .2405 .7683 .036 .0365 .0356 .0371 0 0 -.0016 |
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TaA 0 .1174 .2405 .0300 .036 .0365 .0356 .0371 0 0 -.0016 |
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TiA 0 .1174 .2405 .1917 .036 .0365 .0356 .0371 0 0 -.0016 |
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ZrB .25 .25 .25 .6850 .038 .0383 .0383 .0383 -.0018 -.0018 -.0018 |
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ThB .25 .25 .25 .0775 .038 .0383 .0383 .0383 -.0018 -.0018 -.0018 |
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TiB .25 .25 .25 .2375 .038 .0383 .0383 .0383 -.0018 -.0018 -.0018 |
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FeC 0 .5 0 .0766 .045 .055 .021 .061 0 0 0 |
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MnC 0 .5 0 .0766 .045 .055 .021 .061 0 0 0 |
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MgC 0 .5 0 .3116 .045 .055 .021 .061 0 0 0 |
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BaD 0 0 0 .7399 .032 .0319 .0319 .0319 0 0 0 |
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ThD 0 0 0 .2400 .032 .0319 .0319 .0319 0 0 0 |
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BaE .391 .256 0 .1225 .128 .060 .28 .045 .025 0 0 |
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CaE .391 .256 0 .0258 .128 .060 .28 .045 .025 0 0 |
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KE .391 .256 0 .0442 .128 .060 .28 .045 .025 0 0 |
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O1 .2076 .3899 .3091 .030 .034 .030 .027 .000 -.004 .001 |
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O2 .3402 0 0 .037 .030 .036 .045 0 0 0 |
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O3 .1009 0 .1711 .027 .022 .024 .037 0 .001 0 |
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Wat41 .3824 .3771 0 .5 .033 |
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Wat42 .3581 .4175 0 .5 .027 |
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Phurcalite |
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Atencio D, Neumann R, Silva A J G C, Mascarenhas Y P |
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The Canadian Mineralogist 29 (1991) 95-105 |
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Phurcalite from Perus, San Paulo, Brazil, and redetermination of its |
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crystal structure |
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Locality: Perus, San Paulo, Brazil |
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_database_code_amcsd 0005255 |
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17.415 16.035 13.598 90 90 90 Pbca |
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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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U1 .3433 .2137 .6123 .0132 .0147 .0068 -.0010 -.0002 -.0002 |
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U2 .4515 .2171 .8688 .0083 .0169 .0094 -.0007 -.0004 .0014 |
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U3 .2374 .2348 .8661 .0093 .0181 .0057 .0009 -.0003 -.0005 |
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Ca4 .1456 .0453 .0313 .015 .017 .020 .003 .0000 -.001 |
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Ca5 .0898 .1098 .2884 .041 .026 .016 -.008 .004 -.004 |
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P6 .1576 .2466 .6205 .008 .026 .010 .004 -.002 -.002 |
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P7 .0316 .1928 .8877 .003 .019 .015 .001 -.001 .000 |
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O8 .3418 .3978 .094 .022 .009 .024 -.002 .000 -.004 |
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O9 .3416 .1744 .131 .021 .008 .034 -.005 .004 -.010 |
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O10 .4394 .1143 .916 1.6 |
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O11 .4721 .3182 .818 .018 .011 .026 .004 -.005 .005 |
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O12 .2293 .3727 .405 .012 .019 .03 .001 -.004 -.003 |
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O13 .2328 .3438 .828 .037 .016 .009 .001 -.008 -.006 |
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O14 .3443 .302 .275 .007 .03 .017 .000 .002 -.008 |
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O15 .2063 .2044 .702 .025 .002 .015 -.005 .009 .000 |
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O16 .2110 .267 .031 .018 .04 .011 .005 .010 -.004 |
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O17 .3458 .2669 .947 .016 .016 .014 .002 -.009 -.005 |
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O18 .4747 .241 .546 .020 .04 .019 -.007 -.009 .001 |
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O19 .4834 .168 .704 2.3 |
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O20 .0984 .2488 .358 .007 .015 .022 -.006 -.005 -.007 |
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O21 .0846 .1973 .6058 .030 .013 .013 .005 -.001 -.010 |
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O22 .1417 .1604 .141 .008 .016 .023 .006 .002 -.001 |
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O23 .0605 .115 .937 .025 .05 .023 .001 .008 .003 |
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O24 .4712 .066 .139 .04 .04 .04 .000 -.02 .000 |
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O25 .0346 .480 .647 .05 .04 .01 -.006 .008 -.023 |
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O26 .363 .045 .393 .06 .02 .05 .008 .02 .009 |
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O27 .2807 .472 .564 .026 .04 .05 -.003 .016 -.01 |
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O28 .3263 .008 .775 .05 .02 .05 -.007 -.008 -.012 |
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O29 .140 .462 .218 .09 .03 .03 .000 -.02 -.005 |
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O30 .608 .427 .537 .05 .04 .03 .013 -.002 -.005 |
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