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CaU(PO4)2 |
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Dusausoy Y, Ghermani N E, Podor R, Cuney M |
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European Journal of Mineralogy 8 (1996) 667-673 |
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Low-temperature ordered phase of CaU(PO4)2: |
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synthesis and crystal structure |
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_database_code_amcsd 0006629 |
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13.926 6.958 6.136 90 90 90 Pnma |
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atom x y z Biso |
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Ca .1171 .25 .3922 .44 |
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U .3714 .25 .6245 .31 |
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P1 .3703 .25 .1252 .42 |
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P2 .1269 .25 .8944 .33 |
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O1 .2081 .25 .7252 .69 |
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O2 .0325 .25 .7650 .60 |
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O3 .1311 .0725 .0453 .70 |
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O4 .3688 .0781 .9670 .71 |
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O5 .2868 .25 .2932 .77 |
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O6 .4596 .25 .2696 .58 |
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Faujasite-Na |
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Porcher F, Souhassou M, Dusausoy Y, Lecomte C |
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European Journal of Mineralogy 11 (1999) 333-343 |
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The crystal structure of a low-silica dehydrated NaX zeolite |
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_database_code_amcsd 0006772 |
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25.104 25.104 25.104 90 90 90 *Fd3 |
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.125 .125 .125 |
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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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Si -.05427 .12553 .03502 .0237 .0193 .0161 -.0053 .0007 -.0034 |
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Al -.05519 .03586 .12401 .0237 .0148 .0180 .0006 -.0037 -.0028 |
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O1 -.1098 -.0002 .1058 .031 .058 .032 -.014 -.002 -.010 |
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O2 -.0011 -.0029 .1414 .029 .031 .037 .009 -.011 -.012 |
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O3 -.0345 .0750 .0710 .055 .030 .029 -.004 -.001 .006 |
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O4 -.0693 .0732 .1794 .035 .038 .039 -.002 -.001 -.022 |
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Na1 .0475 .0475 .0475 .97 .058 .058 .058 .010 .010 .010 |
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Na2 .2283 .2283 .2283 .93 .034 .034 .034 .011 .011 .011 |
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Na3 .3944 .104 .146 .16 .06 .10 .10 -.02 .02 .04 |
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Na4 .4042 .065 .068 .18 .02 .26 .21 .00 -.01 .07 |
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Rodalquilarite |
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Dusausoy Y, Protas J |
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Acta Crystallographica B25 (1969) 1551-1558 |
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Determination et etude de la structure cristalline de la rodalquilarite, |
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chlorotellurite acide de fer |
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Locality: Almeria, Spain |
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_database_code_amcsd 0009361 |
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8.89 5.08 6.63 103.17 107.08 77.87 P-1 |
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atom x y z Biso |
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Fe .4424 .7227 .3548 1.028 |
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Te1 .16980 .33850 .33420 1.204 |
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Te2 .31290 .88020 .84090 1.116 |
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O1 .118 .0941 .0683 1.78 |
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O2 .3476 .1143 .4667 1.352 |
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O3 .197 .5986 .8145 .972 |
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O4 .261 .5458 .2061 1.6 |
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O5 .527 .1937 .9059 1.524 |
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O6 .411 .6526 .6352 1.288 |
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Cl 0 0 .5 1.812 |
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Scolecite |
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Kuntzinger S, Ghermani N E, Dusausoy Y, Lecomte C |
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Acta Crystallographica B54 (1998) 819-833 |
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Distribution and topology of the electron density in an aluminosilicate |
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compound from high-resolution X-ray diffraction data: the case of scolecite |
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Note: zeolite |
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_database_code_amcsd 0009906 |
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18.489 18.959 6.519 90 90.611 90 Fd |
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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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Si1 0 .00440 0 .0061 .00714 .00687 .00429 .00014 .00009 -.00013 |
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Si2 .14988 .20684 .62016 .00583 .00489 .00633 .00625 -.00064 -.00042 -.00035 |
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Si3 -.16554 -.20757 .62541 .00583 .00538 .00621 .00591 -.00086 .00040 .00020 |
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Al1 .03301 .09166 .61111 .0059 .00645 .00521 .00603 -.00011 -.00035 -.00013 |
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Al2 -.04989 -.08706 .61566 .00625 .00694 .00544 .00638 -.00084 .00011 .00038 |
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O1 .01582 .07447 .86835 .01097 .01699 .00843 .00753 -.00043 .00162 .00208 |
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O2 -.01686 -.06206 .85576 .01206 .01798 .00926 .00884 -.00019 -.00428 -.00316 |
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O3 .07063 .17453 .57520 .0084 .00592 .00668 .01256 -.00174 -.00200 .00118 |
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O4 -.08723 -.17095 .64018 .00879 .00711 .00714 .01211 -.00276 -.00032 .00089 |
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O5 .09212 .02618 .52445 .01053 .01108 .00824 .01227 .00245 -.00043 -.00421 |
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O6 -.10760 -.02037 .53075 .01215 .01259 .01138 .01251 .00360 .00175 .00581 |
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O7 .20442 .14616 .70868 .011 .00851 .01026 .01411 .00239 -.00546 -.00056 |
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O8 -.23048 -.15649 .68706 .01147 .00997 .01240 .01213 .00294 .00373 -.00024 |
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O9 .18249 .23368 .40244 .01229 .01055 .01698 .00941 -.00153 .00364 .00120 |
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O10 -.17813 -.23524 .38923 .01073 .00816 .01749 .00651 -.00047 -.00156 -.00336 |
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Ca .22398 .01820 .61487 .01066 .01040 .01143 .01012 -.00086 -.00087 -.00123 |
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Ow1 .03037 .20119 .0629 .03308 .05367 .02130 .02456 -.00610 .01784 -.00982 |
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Ow2 -.05422 -.20473 .1629 .02871 .02719 .03906 .02009 -.00773 .01034 -.01041 |
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Ow3 .06283 .32038 .3578 .02465 .01510 .01373 .04505 .00110 -.00359 .00385 |
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H11 .02405 .16035 -.01973 .04023 |
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H12 .05935 .23207 -.01574 .04873 |
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H21 -.0916 -.2196 .25195 .03301 |
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H22 -.02417 -.17535 .24588 .05306 |
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H31 .10722 .32241 .28559 .0364 |
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H32 .04359 .3668 .35317 .03909 |
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