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TlAlSiO4 |
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Kyono A, Kimata M, Shimizu M |
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American Mineralogist 85 (2000) 1287-1293 |
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The crystal structure of TlAlSiO4: The role of inert pairs in exclusion |
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of Tl from silicate minerals |
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_database_code_amcsd 0002510 |
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5.4095 9.4232 8.2629 90 90 90.01 P2_1/n |
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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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Tl .7502 .1891 .4973 .0428 .0260 .0328 .0008 -.0002 .0010 |
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Si .2503 .0765 .2052 .0236 .0231 .0231 .0002 -.0021 .0006 |
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Al .2490 .4168 .3082 .0106 .0106 .0140 .0021 .0001 -.0018 |
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O1 .2500 .0657 .0140 .0263 .0611 .0172 .0017 -.0015 -.0018 |
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O2 .2447 .2379 .2639 .0713 .0172 .0754 .0167 .0128 .0014 |
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O3 .0066 .9982 .2788 .0274 .0334 .0275 -.0034 .0020 -.0044 |
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O4 .4932 -.0012 .2824 .0198 .0368 .0202 .0131 .0022 .0012 |
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Keilite |
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Shimizu M, Yoshida H, Mandarino J A |
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The Canadian Mineralogist 40 (2002) 1687-1692 |
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The new mineral species keilite, (Fe,Mg)S, the iron-dominant |
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analogue of niningerite |
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_database_code_amcsd 0005801 |
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5.20 5.20 5.20 90 90 90 Fm3m |
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atom x y z occ |
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Fe 0 0 0 .558 |
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Mg 0 0 0 .321 |
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Mn 0 0 0 .048 |
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Ca 0 0 0 .038 |
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Cr 0 0 0 .029 |
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Zn 0 0 0 .003 |
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Ti 0 0 0 .001 |
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S .5 .5 .5 |
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Sanidine |
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Kimata M, Saito S, Shimizu M |
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European Journal of Mineralogy 7 (1995) 287-293 |
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Structure of sanidine-type KGaSi3O8: Tetrahedral-site |
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disordering in potassium feldspar |
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_database_code_amcsd 0006587 |
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8.660 13.102 7.229 90 116.06 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K .28639 0 .13908 2.295 .00594 .00401 .01425 0 .00285 0 |
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GaT1 .00788 .18626 .22166 .28 1.003 .00406 .00155 .00572 -.00047 .00215 -.00033 |
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SiT1 .00788 .18626 .22166 .72 1.003 .00406 .00155 .00572 -.00047 .00215 -.00033 |
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GaT2 .70981 .11798 .34360 .22 1.049 .00402 .00133 .00693 -.00009 .00190 .00005 |
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SiT2 .70981 .11798 .34360 .78 1.049 .00402 .00133 .00693 -.00009 .00190 .00005 |
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OA1 0 .14540 0 2.496 .01284 .00328 .01192 0 .00505 0 |
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OA2 .63826 0 .28379 2.333 .00853 .00250 .01530 0 .00214 0 |
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OB .82618 .14775 .22312 5.752 .00900 .00516 .01715 -.00069 .00713 .00078 |
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OC .03428 .31151 .25830 2.119 .00817 .00292 .01271 -.00044 .00342 -.00042 |
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OD .17916 .12596 .40465 2.139 .00940 .00293 .01000 .00033 .00229 .00087 |
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Sanidine |
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Kimata M, Shimizu M, Saito S |
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European Journal of Mineralogy 8 (1996) 15-24 |
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High-temperature crystal structure of sanidine |
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Part II. The crystal structure of sanidine at 935 C |
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Sample: T = 23 C, feldspar |
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_database_code_amcsd 0006610 |
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8.531 13.007 7.179 90 116.00 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K .2807 0 .1363 .789 3.637 .00970 .00715 .02055 0 .00458 0 |
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Na .2807 0 .1363 .160 3.637 .00970 .00715 .02055 0 .00458 0 |
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Ba .2807 0 .1363 .014 3.637 .00970 .00715 .02055 0 .00458 0 |
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Fe .2807 0 .1363 .003 3.637 .00970 .00715 .02055 0 .00458 0 |
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AlT1 .0085 .1819 .2235 .28 1.225 .00645 .00204 .00522 -.00063 .00307 -.00015 |
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SiT1 .0085 .1819 .2235 .72 1.225 .00645 .00204 .00522 -.00063 .00307 -.00015 |
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AlT2 .7023 .1169 .3436 .22 1.193 .00607 .00163 .00620 -.00004 .00264 .00005 |
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SiT2 .7023 .1169 .3436 .78 1.193 .00607 .00163 .00620 -.00004 .00264 .00005 |
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OA1 0 .1429 0 2.098 .01272 .00301 .00903 0 .00610 0 |
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OA2 .6225 0 .2851 2.107 .01086 .00183 .01314 0 .00367 0 |
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OB .8262 .1406 .2262 2.251 .00913 .00377 .01404 -.00079 .00629 .00042 |
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OC .0277 .3072 .2547 1.808 .00787 .00235 .01154 -.00028 .00389 -.00012 |
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OD .1844 .1252 .4049 1.943 .00923 .00296 .00790 .00022 .00228 .00020 |
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Sanidine |
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Kimata M, Shimizu M, Saito S |
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European Journal of Mineralogy 8 (1996) 15-24 |
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High-temperature crystal structure of sanidine |
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Part II. The crystal structure of sanidine at 935 C |
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Sample: T = 935 C, feldspar |
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_database_code_amcsd 0006611 |
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8.677 13.016 7.184 90 115.73 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K .2905 0 .1408 .789 8.439 .02572 .01431 .05161 0 .01285 0 |
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Na .2905 0 .1408 .160 8.439 .02572 .01431 .05161 0 .01285 0 |
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Ba .2905 0 .1408 .014 8.439 .02572 .01431 .05161 0 .01285 0 |
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Fe .2905 0 .1408 .003 8.439 .02572 .01431 .05161 0 .01285 0 |
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AlT1 .0104 .1854 .2244 .28 2.543 .01304 .00351 .01200 -.00124 .00534 -.00045 |
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SiT1 .0104 .1854 .2244 .72 2.543 .01304 .00351 .01200 -.00124 .00534 -.00045 |
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AlT2 .7125 .1183 .3463 .22 2.440 .01170 .00244 .01532 -.00024 .00472 -.00005 |
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SiT2 .7125 .1183 .3463 .78 2.440 .01170 .00244 .01532 -.00024 .00472 -.00005 |
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OA1 0 .1478 0 4.433 .02729 .00577 .01728 0 .01108 0 |
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OA2 .6398 0 .2855 4.127 .01833 .00292 .03052 0 .00656 0 |
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OB .8307 .1483 .2294 5.189 .02005 .00848 .03392 -.00191 .01487 .00057 |
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OC .0375 .3100 .2624 4.122 .01689 .00374 .02949 -.00152 .00620 -.00057 |
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OD .1771 .1257 .4040 4.745 .02043 .00695 .01878 .00214 .00234 .00161 |
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Dissakisite-(Ce) |
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Hoshino M, Kimata M, Nishida N, Shimizu M |
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Physics and Chemistry of Minerals 35 (2008) 59-70 |
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Crystal chemical significance of chemical zoning in dissakisite-(Ce) |
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Locality: Trimouns dolomite mine, France |
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_database_code_amcsd 0009130 |
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8.899 5.6836 10.095 90 114.729 90 P2_1/m |
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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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CaA1 .2383 .25 .8479 .998 .0231 .026 .0222 .023 0 .0120 0 |
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LaA2 .40553 .25 .57232 .202 .0202 .0191 .0221 .0180 0 .0065 0 |
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CeA2 .40553 .25 .57232 .349 .0202 .0191 .0221 .0180 0 .0065 0 |
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PrA2 .40553 .25 .57232 .059 .0202 .0191 .0221 .0180 0 .0065 0 |
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NdA2 .40553 .25 .57232 .197 .0202 .0191 .0221 .0180 0 .0065 0 |
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SmA2 .40553 .25 .57232 .035 .0202 .0191 .0221 .0180 0 .0065 0 |
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GdA2 .40553 .25 .57232 .018 .0202 .0191 .0221 .0180 0 .0065 0 |
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CaA2 .40553 .25 .57232 .115 .0202 .0191 .0221 .0180 0 .0065 0 |
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FeA2 .40553 .25 .57232 .025 .0202 .0191 .0221 .0180 0 .0065 0 |
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AlM1 0 0 0 .0201 .019 .020 .020 .001 .006 -.001 |
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AlM2 0 0 .5 .0196 .021 .018 .020 .001 .008 -.000 |
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AlM3 .2962 .25 .2124 .126 .0192 .017 .019 .020 0 .006 0 |
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FeM3 .2962 .25 .2124 .213 .0192 .017 .019 .020 0 .006 0 |
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MgM3 .2962 .25 .2124 .661 .0192 .017 .019 .020 0 .006 0 |
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Si1 .6635 .25 .9604 .0192 .018 .018 .020 0 .007 0 |
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Si2 .6841 .25 .2811 .0186 .018 .019 .018 0 .007 0 |
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Si3 .8155 .25 .6792 .0183 .018 .018 .018 0 .0069 0 |
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O1 .7664 .0086 .9661 .024 .025 .021 .026 .003 .011 .003 |
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O2 .6909 .026 .6381 .024 .025 .023 .022 -.006 .008 -.003 |
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O3 .7931 .0115 .3422 .024 .022 .021 .025 .003 .007 .000 |
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O4 .0512 .25 .1276 .022 .021 .021 .020 0 .007 0 |
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O5 .9534 .25 .8516 .021 .025 .019 .020 0 .010 0 |
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O6 .938 .25 .5922 .022 .023 .020 .022 0 .008 0 |
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O7 .4904 .25 .8239 .021 .020 .024 .021 0 .011 0 |
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O8 .535 .25 .3290 .029 .027 .039 .023 0 .012 0 |
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O9 .617 .25 .1040 .026 .026 .023 .024 0 .008 0 |
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OH10 .0796 .25 .4238 .024 .027 .023 .019 0 .007 0 |
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Sphalerite |
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Nitta E, Kimata M, Hoshino M, Echigo T, Hamasaki S, Nishida N, Shimizu M, Akasak T |
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Journal of Mineralogical and Petrological Sciences 103 (2008) 145-151 |
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Crystal chemistry of ZnS minerals formed as high-temperature volcanic sublimates: |
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matraite identical with sphalerite |
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Locality: Iwodake volcano, Satsuma-Iwojima, Kyushu, SW Japan |
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_database_code_amcsd 0018328 |
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5.4159 5.4159 5.4159 90 90 90 F-43m |
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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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Zn 0 0 0 .968 .0112 .0112 .0112 .0112 0 0 0 |
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Fe 0 0 0 .023 .0112 .0112 .0112 .0112 0 0 0 |
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Cu 0 0 0 .005 .0112 .0112 .0112 .0112 0 0 0 |
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In 0 0 0 .002 .0112 .0112 .0112 .0112 0 0 0 |
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Cd 0 0 0 .002 .0112 .0112 .0112 .0112 0 0 0 |
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S .25 .25 .25 .0083 .0083 .0083 .0083 0 0 0 |
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Magnesiohogbomite-2N4S |
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Shimura T, Akai J, Lazic B, Armbruster T, Shimizu M, Kamei A, Tsukada K, |
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Owada M, Yuhara M |
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American Mineralogist 97 (2012) 268-280 |
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Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, |
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East Antarctica |
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Locality: central Sor Rondane Mountains, East Antarctica |
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_database_code_amcsd 0018746 |
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5.71050 5.71050 27.6760 90 90 120 P6_3mc |
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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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MgT1 0 0 .02080 .793 .00651 .00661 .00661 .0063 .00331 0 0 |
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FeT1 0 0 .02080 .207 .00651 .00661 .00661 .0063 .00331 0 0 |
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AlM2 2/3 1/3 .04250 .00468 .00496 .00496 .0041 .00248 0 0 |
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MgT3 1/3 2/3 .06323 .859 .00606 .0062 .0062 .0058 .00310 0 0 |
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FeT3 1/3 2/3 .06323 .141 .00606 .0062 .0062 .0058 .00310 0 0 |
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AlM4 .83320 .66640 .126485 .00475 .00482 .00438 .00490 .00219 -.00020 -.00040 |
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MgT5 1/3 2/3 .19014 .842 .00648 .0065 .0065 .0065 .00323 0 0 |
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FeT5 1/3 2/3 .19014 .158 .00648 .0065 .0065 .0065 .00323 0 0 |
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AlM6 0 0 .20999 .00497 .00506 .00506 .0048 .00253 0 0 |
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MgT7 2/3 1/3 .23366 .835 .00609 .00523 .00523 .0078 .00261 0 0 |
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FeT7 2/3 1/3 .23366 .165 .00609 .00523 .00523 .0078 .00261 0 0 |
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AlM8 .16800 .83200 .295077 .00577 .00542 .00542 .00674 .00291 .00035 -.00035 |
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TiM9 -1/3 -2/3 .362934 .00564 .00575 .00575 .00541 .00288 0 0 |
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MgT10 0 0 .39699 .888 .00489 .0048 .0048 .0052 .00238 0 0 |
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FeT10 0 0 .39699 .112 .00489 .0048 .0048 .0052 .00238 0 0 |
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AlM11 .50243 .49757 .457952 .00628 .00640 .00640 .00639 .00346 .00016 -.00016 |
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O1 .3671 .18357 -.00154 .00929 .0092 .0099 .0086 .00460 -.0021 -.00103 |
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O2 1/3 2/3 -.00701 .0082 .0097 .0097 .0053 .0049 0 0 |
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O3 0 0 .08999 .0063 .0056 .0056 .0078 .00279 0 0 |
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O4 .96276 .48138 .08711 .00549 .0050 .0052 .0062 .00252 .0000 -.00002 |
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O5 2/3 1/3 .16339 .0067 .0055 .0055 .0092 .00274 0 0 |
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O6 .7027 .85137 .16542 .00547 .0046 .0050 .0067 .00232 .0001 .00003 |
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O7 .2967 .14834 .25303 .00868 .0105 .0088 .0074 .0052 -.0028 -.00142 |
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O8 1/3 2/3 .26033 .0070 .0074 .0074 .0061 .00370 0 0 |
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O9 0 0 .33088 .0086 .0079 .0079 .0101 .00393 0 0 |
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O10 .0011 .50056 .33104 .00893 .0087 .0086 .0095 .00434 .0024 .00122 |
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OH11 -2/3 -1/3 .42227 .0090 .0112 .0112 .0047 .00560 0 0 |
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O12 -.6460 -.82302 .41775 .01043 .0130 .0115 .0072 .0065 .0000 .00001 |
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