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Bijvoetite-(Y) |
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Li Y, Burns P C, Gault R A |
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The Canadian Mineralogist 38 (2000) 153-162 |
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A new rare-earth-element uranyl carbonate sheet in the structure of bijvoetite-(Y) |
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_database_code_amcsd 0005642 |
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21.234 12.958 44.911 90 90.00 90 B2 |
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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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U1 .3938 .3646 .4320 .0176 .0061 .0306 .0162 -.0068 .0028 .0020 |
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U2 .0549 .4264 .4726 .0207 .0211 .0281 .0129 -.0049 -.0066 .0044 |
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U3 .5551 .3387 .4728 .0228 .0084 .0467 .0132 -.0015 -.0007 -.0021 |
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U4 .0540 .4134 .3899 .0193 .0151 .0262 .0165 -.0051 -.0047 .0055 |
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U5 .2158 .4179 .4306 .0178 .0124 .0251 .0160 -.0036 -.0027 .0035 |
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U6 .7162 .3480 .4310 .0171 .0140 .0207 .0164 -.0023 -.0036 .0034 |
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U7 .3045 .4134 .6398 .0233 .0141 .0427 .0123 .0009 -.0034 -.0028 |
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U8 .1432 .4022 .6821 .0211 .0149 .0353 .0129 -.0022 -.0043 -.0031 |
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U9 -.1050 .4018 .4318 .0165 .0107 .0240 .0148 -.0050 -.0005 -.0027 |
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U10 .4666 .4179 .6809 .0185 .0118 .0313 .0124 .0019 .0035 -.0016 |
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U11 .5541 .3508 .3897 .0179 .0082 .0331 .0124 -.0021 .0057 -.0004 |
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U12 -.0338 .3493 .6814 .0232 .0100 .0469 .0128 .0007 .0010 .0041 |
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U13 .3047 .4271 .7226 .0212 .0099 .0450 .0087 -.0010 .0017 -.0082 |
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U14 -.1960 .3520 .6400 .0227 .0093 .0479 .0111 -.0027 .0040 .0017 |
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U15 .6445 .3651 .6822 .0180 .0091 .0337 .0112 .0020 .0013 -.0033 |
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U16 -.1948 .3384 .7228 .0228 .0064 .0537 .0082 -.0011 .0059 -.0006 |
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Y1 .5587 .3224 .5647 .66 .0104 |
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Ce1 .5587 .3224 .5647 .014 .0104 |
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Nd1 .5587 .3224 .5647 .078 .0104 |
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Sm1 .5587 .3224 .5647 .061 .0104 |
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Eu1 .5587 .3224 .5647 .017 .0104 |
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Gd1 .5587 .3224 .5647 .061 .0104 |
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Tb1 .5587 .3224 .5647 .010 .0104 |
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Dy1 .5587 .3224 .5647 .071 .0104 |
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Er1 .5587 .3224 .5647 .020 .0104 |
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Y2 .0592 .4357 .5644 .40 .0220 |
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Ce2 .0592 .4357 .5644 .024 .0220 |
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Nd2 .0592 .4357 .5644 .038 .0220 |
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Sm2 .0592 .4357 .5644 .108 .0220 |
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Eu2 .0592 .4357 .5644 .030 .0220 |
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Gd2 .0592 .4357 .5644 .108 .0220 |
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Tb2 .0592 .4357 .5644 .018 .0220 |
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Dy2 .0592 .4357 .5644 .126 .0220 |
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Er2 .0592 .4357 .5644 .036 .0220 |
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Y3 .3097 .4255 .8141 .60 .0152 |
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Ce3 .3097 .4255 .8141 .016 .0152 |
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Nd3 .3097 .4255 .8141 .092 .0152 |
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Sm3 .3097 .4255 .8141 .072 .0152 |
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Eu3 .3097 .4255 .8141 .020 .0152 |
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Gd3 .3097 .4255 .8141 .072 .0152 |
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Tb3 .3097 .4255 .8141 .012 .0152 |
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Dy3 .3097 .4255 .8141 .084 .0152 |
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Er3 .3097 .4255 .8141 .024 .0152 |
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Y4 .5520 .4535 .3013 .50 .0186 |
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Ce4 .5520 .4535 .3013 .020 .0186 |
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Nd4 .5520 .4535 .3013 .115 .0186 |
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Sm4 .5520 .4535 .3013 .090 .0186 |
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Eu4 .5520 .4535 .3013 .025 .0186 |
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Gd4 .5520 .4535 .3013 .090 .0186 |
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Tb4 .5520 .4535 .3013 .015 .0186 |
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Dy4 .5520 .4535 .3013 .105 .0186 |
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Er4 .5520 .4535 .3013 .030 .0186 |
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Y5 .3087 .3198 .3147 .55 .0134 |
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Ce5 .3087 .3198 .3147 .018 .0134 |
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Nd5 .3087 .3198 .3147 .104 .0134 |
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Sm5 .3087 .3198 .3147 .081 .0134 |
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Eu5 .3087 .3198 .3147 .022 .0134 |
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Gd5 .3087 .3198 .3147 .081 .0134 |
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Tb5 .3087 .3198 .3147 .014 .0134 |
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Dy5 .3087 .3198 .3147 .094 .0134 |
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Er5 .3087 .3198 .3147 .027 .0134 |
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Y6 -.1977 .4401 .5509 .51 .0172 |
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Ce6 -.1977 .4401 .5509 .020 .0172 |
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Nd6 -.1977 .4401 .5509 .113 .0172 |
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Sm6 -.1977 .4401 .5509 .088 .0172 |
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Eu6 -.1977 .4401 .5509 .024 .0172 |
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Gd6 -.1977 .4401 .5509 .088 .0172 |
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Tb6 -.1977 .4401 .5509 .014 .0172 |
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Dy6 -.1977 .4401 .5509 .094 .0172 |
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Er6 -.1977 .4401 .5509 .030 .0172 |
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Y7 .0529 .3322 .3005 .45 .0181 |
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Ce7 .0529 .3322 .3005 .022 .0181 |
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Nd7 .0529 .3322 .3005 .126 .0181 |
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Sm7 .0529 .3322 .3005 .099 .0181 |
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Eu7 .0529 .3322 .3005 .028 .0181 |
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Gd7 .0529 .3322 .3005 .099 .0181 |
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Tb7 .0529 .3322 .3005 .016 .0181 |
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Dy7 .0529 .3322 .3005 .116 .0181 |
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Er7 .0529 .3322 .3005 .033 .0181 |
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Y8 .3020 .3204 .5510 .55 .0147 |
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Ce8 .3020 .3204 .5510 .018 .0147 |
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Nd8 .3020 .3204 .5510 .101 .0147 |
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Sm8 .3020 .3204 .5510 .079 .0147 |
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Eu8 .3020 .3204 .5510 .022 .0147 |
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Gd8 .3020 .3204 .5510 .079 .0147 |
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Tb8 .3020 .3204 .5510 .013 .0147 |
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Dy8 .3020 .3204 .5510 .092 .0147 |
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Er8 .3020 .3204 .5510 .026 .0147 |
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O1 .450 .282 .6829 .0097 |
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O2 .2172 .280 .4354 .0097 |
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O3 .713 .486 .4272 .0097 |
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O4 -.046 .486 .680 .0097 |
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O5 .675 .4921 .6761 .0097 |
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O6 .411 .500 .4316 .0097 |
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O7 -.1012 .264 .4322 .0097 |
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O8 .167 .271 .6877 .0097 |
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O9 .053 .289 .4650 .0097 |
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O10 .323 .290 .7207 .0097 |
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O11 -.124 .539 .4305 .0097 |
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O12 .123 .539 .681 .0097 |
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O13 -.196 .478 .7254 .0097 |
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O14 .553 .478 .4686 .0097 |
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O15 .570 .484 .4003 .0097 |
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O16 .619 .233 .6873 .0097 |
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O17 -.198 .490 .6472 .0097 |
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O18 .300 .278 .6500 .0097 |
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O19 .355 .241 .4278 .0097 |
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O20 .053 .275 .395 .0097 |
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O21 -.015 .214 .6869 .0097 |
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O22 .726 .210 .4286 .0097 |
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O23 .482 .556 .682 .0097 |
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O24 .234 .552 .4242 .0097 |
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O25 -.198 .218 .6284 .0097 |
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O26 .564 .217 .3783 .0097 |
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O27 .067 .522 .5013 .0097 |
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O28 .308 .566 .7296 .0097 |
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O29 .049 .548 .3794 .0097 |
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O30 .300 .546 .6266 .0097 |
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O31 .550 .199 .4751 .0097 |
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O32 -.193 .199 .728 .0097 |
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O33 -.079 .422 .2311 .0097 |
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O34 .174 .440 .4793 .0097 |
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O35 -.328 .366 .4811 .0097 |
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O36 .429 .334 .2312 .0097 |
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O37 .187 .408 .7332 .0097 |
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O38 -.058 .431 .4812 .0097 |
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O39 -.1344 .402 .2714 .0097 |
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O40 .1143 .423 .5187 .0097 |
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O41 -.3824 .376 .5209 .0097 |
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O42 .3676 .379 .2693 .0097 |
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O43 .189 .421 .6310 .0097 |
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O44 .188 .347 .2319 .0097 |
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O45 .428 .373 .4836 .0097 |
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O46 .1318 .372 .5932 .0097 |
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O47 -.1067 .348 .3382 .0097 |
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O48 .175 .436 .3789 .0097 |
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O49 -.000 .428 .4295 .0097 |
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O50 .3914 .429 .3372 .0097 |
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O51 .242 .456 .682 .0097 |
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O52 .668 .365 .3820 .0097 |
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O53 .469 .412 .2722 .0097 |
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O54 -.2810 .387 .5254 .0097 |
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O55 .1392 .386 .7769 .0097 |
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O56 -.1127 .413 .5205 .0097 |
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O57 -.0044 .411 .5225 .0097 |
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O58 .2435 .418 .7724 .0097 |
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O59 .367 .432 .6827 .0097 |
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O60 -.0044 .379 .3457 .0097 |
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O61 -.256 .315 .680 .0097 |
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O62 .495 .336 .433 .0097 |
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O63 .613 .324 .433 .0097 |
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O64 -.134 .325 .680 .0097 |
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O65 .7166 .423 .3382 .0097 |
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O66 .4990 .348 .5213 .0097 |
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O67 .2433 .388 .2734 .0097 |
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O68 .3716 .359 .5909 .0097 |
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O69 .3936 .368 .5277 .0097 |
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O70 .2170 .412 .5245 .0097 |
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O71 .1476 .353 .2795 .0097 |
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O72 .2441 .377 .5939 .0097 |
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O73 -.0284 .393 .2737 .0097 |
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O74 .1127 .361 .3464 .0097 |
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O75 .6154 .401 .3436 .0097 |
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O76 .2158 .354 .3383 .0097 |
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O77 .439 .388 .3819 .0097 |
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O78 .4957 .421 .3438 .0097 |
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O79 .117 .475 .4292 .0097 |
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O80 -.071 .405 .3825 .0097 |
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O81 .4713 .391 .5916 .0097 |
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O82 .423 .409 .6320 .0097 |
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O83 .689 .353 .6311 .0097 |
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O84 -.080 .338 .6298 .0097 |
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O85 .7442 .394 .5945 .0097 |
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O86 -.1354 .381 .5932 .0097 |
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O87 .6381 .407 .5879 .0097 |
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O88 -.0271 .414 .5927 .0097 |
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OH1 .557 .408 .6506 .0097 |
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OH2 .310 .410 .4003 .0097 |
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OH3 .046 .370 .652 .0097 |
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OH4 .802 .369 .4633 .0097 |
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OH5 .061 .343 .7122 .0097 |
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OH6 .806 .386 .400 .0097 |
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OH7 .552 .384 .713 .0097 |
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OH8 .303 .395 .463 .0097 |
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Wat1 .313 .230 .3611 .0011 |
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Wat2 .545 .520 .5612 .0011 |
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Wat3 .289 .243 .8138 .0011 |
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Wat4 .043 .261 .5648 .0011 |
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Wat5 .307 .501 .5511 .0011 |
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Wat6 .643 .196 .5547 .0011 |
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Wat7 .133 .587 .5633 .0011 |
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Wat8 .392 .545 .8109 .0011 |
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Wat9 .410 .200 .3176 .0011 |
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Wat10 -.204 .530 .5014 .0011 |
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Wat11 .548 .566 .2540 .0011 |
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Wat12 .299 .213 .5056 .0011 |
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Wat13 .230 .189 .5648 .0011 |
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Wat14 -.269 .589 .5580 .0011 |
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Wat15 .466 .562 .3065 .0011 |
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Wat16 .620 .605 .3118 .0011 |
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Wat17 .118 .184 .3123 .0011 |
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Wat18 .357 .171 .5672 .0011 |
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Wat19 .057 .515 .3029 .0011 |
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Wat20 .254 .602 .8001 .0011 |
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Wat21 -.009 .609 .5608 .0011 |
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Wat22 .266 .157 .2990 .0011 |
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Wat23 .507 .180 .5600 .0011 |
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Wat24 .436 .757 .6979 .0011 |
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Wat25 .563 .231 .6114 .0011 |
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Wat26 .076 .145 .6263 .0011 |
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Wat27 .833 .174 .3682 .0011 |
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Wat28 .574 .064 .4349 .0011 |
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Wat29 -.310 .095 .6299 .0011 |
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Wat30 -.175 .095 .6783 .0011 |
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Wat31 .577 .595 .6279 .0011 |
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Wat32 -.081 .184 .5811 .0011 |
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Wat33 .151 .193 .8242 .0011 |
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Wat34 .458 .682 .7488 .0011 |
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Wat35 .178 .657 .5089 .0011 |
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Wat36 .695 .107 .5111 .0011 |
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Wat37 .567 .567 .7404 .0011 |
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Wat38 .351 .150 .7635 .0011 |
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Wat39 .085 .137 .5086 .0011 |
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C1 .1696 .416 .5070 .0143 |
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C2 .1912 .366 .2600 .0143 |
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C3 .4431 .366 .5113 .0143 |
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C4 .1874 .389 .6038 .0143 |
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C5 .1868 .417 .7618 .0143 |
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C6 -.0794 .414 .2598 .0143 |
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C7 .6713 .387 .3541 .0143 |
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C8 .1695 .383 .3545 .0143 |
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C9 .4395 .421 .3546 .0143 |
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C10 .4235 .371 .2580 .0143 |
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C11 -.3291 .396 .5085 .0143 |
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C12 -.0623 .385 .3546 .0143 |
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C13 -.0577 .404 .5089 .0143 |
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C14 .4228 .363 .6065 .0143 |
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C15 .6868 .386 .6039 .0143 |
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C16 -.0792 .382 .6040 .0143 |
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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