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Nukundamite |
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Sugaki A, Shima H, Kitakaze A, Mizota T |
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American Mineralogist 66 (1981) 398-402 |
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Hydrothermal synthesis of nukundamite and its crystal structure |
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_database_code_amcsd 0000828 |
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3.7830 3.7830 11.1950 90 90 120 P-3m1 |
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atom x y z occ Biso |
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Cu1 2/3 1/3 .1547 .848 0.87 |
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Fe1 2/3 1/3 .1547 .152 0.87 |
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Cu2 2/3 1/3 .5790 .848 1.92 |
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Fe2 2/3 1/3 .5790 .152 1.92 |
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S1 0 0 .0921 1.08 |
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S2 2/3 1/3 .3609 0.96 |
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Ohmilite |
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Mizota T, Komatsu M, Chihara K |
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American Mineralogist 68 (1983) 811-817 |
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A refinement of the crystal structure of ohmilite, Sr3(Ti,Fe3+)(O,OH)(Si2O6)2* |
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2-3H2O |
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_database_code_amcsd 0000908 |
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10.979 7.799 7.818 90 100.9 90 P2_1/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sr1 .1107 .25 .3523 0.0019 0.0024 0.0026 0 0.0007 0 |
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Sr2 .4164 .25 .7175 0.0015 0.0021 0.0042 0 0.0010 0 |
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Sr3 .2667 .75 .3916 0.0019 0.0018 0.0029 0 0.0010 0 |
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Ti 0 0 0 0.0014 0.0176 0.0019 0.0014 0.0004 -.0017 |
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Si1 .2989 .4532 .1160 0.0015 0.0015 0.0024 0.0000 0.0004 -.0001 |
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Si2 .2054 .5470 .7418 0.0018 0.0011 0.0024 0.0000 0.0010 0.0000 |
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O1 .0278 .25 .0033 0.0023 0.0032 0.0041 0 0.0013 0 |
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O2 .1669 .5289 .1486 0.0018 0.0023 0.0034 0.0000 0.0003 -.0008 |
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O3 .0665 .5267 .7762 0.0020 0.0024 0.0031 -.0002 0.0010 0.0001 |
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O4 .2972 .25 .1691 0.0031 0.0013 0.0032 0 0.0009 0 |
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O5 .2417 .75 .7344 0.0038 0.0005 0.0047 0 0.0025 0 |
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O6 .4108 .5446 .2410 0.0025 0.0026 0.0043 -.0005 0.0002 -.0011 |
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O7 .2337 .4572 .5698 0.0030 0.0015 0.0033 0.0001 0.0011 -.0008 |
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O8 .3039 .4610 .9070 0.0020 0.0029 0.0033 0.0006 0.0012 0.0007 |
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Wat1 .0283 .75 .4096 0.0017 0.0037 0.0041 0 -.0001 0 |
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Wat2 .5077 .25 .4323 0.0030 0.0054 0.0046 0 0.0006 0 |
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Wat3 .521 .25 .029 .274 0.0110 0.0050 0.1300 0 0.0330 0 |
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Magnesioferrite |
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Nakatsuka A, Ueno H, Nakayama N, Mizota T, Maekawa H |
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Physics and Chemistry of Minerals 31 (2004) 278-287 |
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Single-crystal X-ray diffraction study of cation distribution |
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in MgAl2O4-MgFe2O4 spinel solid solution |
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Sample: T = 23 C, x = 1.21 |
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_database_code_amcsd 0008861 |
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8.2796 8.2796 8.2796 90 90 90 *Fd3m |
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.125 .125 .125 |
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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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MgA .125 .125 .125 .38 .559 .00204 .00204 .00204 0 0 0 |
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AlA .125 .125 .125 .09 .559 .00204 .00204 .00204 0 0 0 |
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FeA .125 .125 .125 .53 .559 .00204 .00204 .00204 0 0 0 |
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MgB .5 .5 .5 .31 .591 .00215 .00215 .00215 -.00010 -.00010 -.00010 |
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AlB .5 .5 .5 .35 .591 .00215 .00215 .00215 -.00010 -.00010 -.00010 |
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FeB .5 .5 .5 .34 .591 .00215 .00215 .00215 -.00010 -.00010 -.00010 |
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O .2588 .2588 .2588 .919 .00335 .00335 .00335 -.00021 -.00021 -.00021 |
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Magnesioferrite |
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Nakatsuka A, Ueno H, Nakayama N, Mizota T, Maekawa H |
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Physics and Chemistry of Minerals 31 (2004) 278-287 |
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Single-crystal X-ray diffraction study of cation distribution |
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in MgAl2O4-MgFe2O4 spinel solid solution |
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Sample: T = 23 C, x = 1.53 |
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_database_code_amcsd 0008862 |
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8.3252 8.3252 8.3252 90 90 90 *Fd3m |
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.125 .125 .125 |
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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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MgA .125 .125 .125 .28 .541 .00195 .00195 .00195 0 0 0 |
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AlA .125 .125 .125 .05 .541 .00195 .00195 .00195 0 0 0 |
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FeA .125 .125 .125 .66 .541 .00195 .00195 .00195 0 0 0 |
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MgB .5 .5 .5 .36 .573 .00207 .00207 .00207 -.00010 -.00010 -.00010 |
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AlB .5 .5 .5 .21 .573 .00207 .00207 .00207 -.00010 -.00010 -.00010 |
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FeB .5 .5 .5 .43 .573 .00207 .00207 .00207 -.00010 -.00010 -.00010 |
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O .2578 .2578 .2578 .802 .00289 .00289 .00289 -.00024 -.00024 -.00024 |
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Magnesioferrite |
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Nakatsuka A, Ueno H, Nakayama N, Mizota T, Maekawa H |
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Physics and Chemistry of Minerals 31 (2004) 278-287 |
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Single-crystal X-ray diffraction study of cation distribution |
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in MgAl2O4-MgFe2O4 spinel solid solution |
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Sample: T = 23 C, x = 1.77 |
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_database_code_amcsd 0008863 |
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8.3422 8.3422 8.3422 90 90 90 *Fd3m |
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.125 .125 .125 |
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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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MgA .125 .125 .125 .19 .563 .00202 .00202 .00202 0 0 0 |
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FeA .125 .125 .125 .81 .563 .00202 .00202 .00202 0 0 0 |
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MgB .5 .5 .5 .41 .613 .00220 .00220 .00220 -.00012 -.00012 -.00012 |
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AlB .5 .5 .5 .11 .613 .00220 .00220 .00220 -.00012 -.00012 -.00012 |
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FeB .5 .5 .5 .48 .613 .00220 .00220 .00220 -.00012 -.00012 -.00012 |
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O .2570 .2570 .2570 .794 .00285 .00285 .00285 -.00020 -.00020 -.00020 |
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Magnesioferrite |
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Nakatsuka A, Ueno H, Nakayama N, Mizota T, Maekawa H |
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Physics and Chemistry of Minerals 31 (2004) 278-287 |
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Single-crystal X-ray diffraction study of cation distribution |
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in MgAl2O4-MgFe2O4 spinel solid solution |
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Sample: T = 23 C, x = 2.00 |
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_database_code_amcsd 0008864 |
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8.3600 8.3600 8.3600 90 90 90 *Fd3m |
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.125 .125 .125 |
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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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MgA .125 .125 .125 .146 .662 .00237 .00237 .00237 0 0 0 |
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FeA .125 .125 .125 .854 .662 .00237 .00237 .00237 0 0 0 |
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MgB .5 .5 .5 .427 .700 .00250 .00250 .00250 -.00013 -.00013 -.00013 |
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FeB .5 .5 .5 .573 .700 .00250 .00250 .00250 -.00013 -.00013 -.00013 |
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O .2573 .2573 .2573 .785 .00281 .00281 .00281 -.00002 -.00002 -.00002 |
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LaAlO3 |
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Nakatsuka A, Ohtaka O, Arima H, Nakayama N, Mizota T |
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Acta Crystallographica E61 (2005) i148-i150 |
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Cubic phase of single-crystal LaAlO3 perovskite synthesized at |
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4.5 GPa and 1273 K |
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Locality: synthetic |
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_database_code_amcsd 0010454 |
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3.7913 3.7913 3.7913 90 90 90 Pm-3m |
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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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La 0 0 0 .004299 .00430 .0043 .0043 0 0 0 |
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Al .5 .5 .5 .00377 .00380 .0038 .0038 0 0 0 |
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O 0 .5 .5 .01400 .0027 .0197 .0197 0 0 0 |
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Strontio-orthojoaquinite |
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Kato T, Mizota T |
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Journal of the Faculty of Liberal Arts. Yamaguchi University (Natural Science) 24 (1990) 23-32 |
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The crystal structure of strontio-orthojoaquinite |
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Locality: amphibole-quartz-albite dike cutting serpentinite in Ohmi, Nigata Prefecture, Japan |
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_database_code_amcsd 0014113 |
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10.602 9.841 22.621 90 90 90 P2_1am |
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atom x y z Biso |
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Bal 0 0 0 .47 |
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Ba2 .5 .5 0 .48 |
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Ba3 .381 .227 .275 .58 |
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Ba4 .753 .221 .222 .44 |
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Ba5 .638 .021 .5 1.03 |
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Ba6 .146 .527 .5 .09 |
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Til .378 .250 .436 .10 |
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Ti2 .753 .255 .063 .10 |
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Si1 .038 .247 .119 .10 |
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Si2 .474 .231 .124 .10 |
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Si3 .254 .044 .140 1.72 |
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Si4 .261 .445 .140 .10 |
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Si5 .382 .946 .361 .10 |
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Si6 .382 .522 .357 1.31 |
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Si7 .654 .259 .375 .22 |
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Si8 .096 .259 .380 .37 |
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O1 .129 .353 .119 2.74 |
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O2 .402 .114 .111 .10 |
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O3 .146 .118 .103 .10 |
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O4 .397 .376 .112 .10 |
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O5 .745 .101 .123 .60 |
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O6 .739 .366 .132 .10 |
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O7 .528 .302 .188 .10 |
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O8 .013 .273 .225 .10 |
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O9 .560 .219 .061 2.50 |
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O10 .974 .248 .065 1.00 |
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O11 .245 .079 .215 .10 |
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O12 .287 .436 .211 .10 |
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O13 .502 .880 .397 .10 |
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O14 .276 .887 .386 .60 |
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O15 .230 .625 .386 3.87 |
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O16 .538 .586 .389 1.39 |
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O17 .603 .244 .310 1.43 |
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O18 .149 .260 .314 .11 |
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O19 .205 .240 .434 .10 |
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O20 .562 .263 .429 .10 |
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O21 .383 .120 .356 3.91 |
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O22 .377 .410 .374 .10 |
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O23 .887 .421 .283 1.31 |
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O24 .905 .076 .292 2.29 |
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OH1 .782 .131 0 .10 |
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OH2 .765 .374 0 .10 |
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OH3 .383 .003 .5 .10 |
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OH4 .384 .462 .5 .10 |
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OH5 .295 .246 0 1.00 |
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OH6 .906 .227 .5 1.00 |
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OH7 .563 .996 .227 1.00 |
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Fe .065 .128 .248 1.13 |
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Na .057 .452 .234 2.73 |
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Chabazite-Ca |
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Nakatsuka A, Okada H, Fujiwara K, Nakayama N, Mizota T |
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Microporous and Mesoporous Materials 102 (2007) 188-195 |
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Crystallographic configurations of water molecules and exchangeable cations in a |
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hydrated natural CHA-zeolite (chabazite) |
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Locality: Komuro, Ohhito, Shizuoka Prefecture, Japan |
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_database_code_amcsd 0017694 |
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9.3943 9.3943 9.3943 94.369 94.369 94.369 R-3m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .4070 .4070 .4070 .293 6.477 .079 .079 .079 -.015 -.015 -.015 |
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Na1 .4070 .4070 .4070 .092 6.477 .079 .079 .079 -.015 -.015 -.015 |
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Ca2 .5831 .5831 .2311 .111 3.84 .040 .040 .064 -.017 .008 .008 |
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Na2 .5831 .5831 .2311 .035 3.84 .040 .040 .064 -.017 .008 .008 |
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Ca3 .2089 .2089 .2089 .132 4.64 .061 .061 .061 .022 .022 .022 |
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Na3 .2089 .2089 .2089 .041 4.64 .061 .061 .061 .022 .022 .022 |
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Ca4 0 0 0 .052 13.4 .16 .16 .16 -.04 -.04 -.04 |
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Na4 0 0 0 .016 13.4 .16 .16 .16 -.04 -.04 -.04 |
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Al .10460 .33312 .87654 .283 .968 .01118 .00953 .01586 .00102 .00117 -.00056 |
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Si .10460 .33312 .87654 .713 .968 .01118 .00953 .01586 .00102 .00117 -.00056 |
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O1 .26125 -.26125 0 2.842 .0306 .0306 .0417 -.0029 -.0107 -.0107 |
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O2 .15197 -.15197 .5 2.245 .0356 .0356 .0149 .0076 .0022 .0022 |
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O3 .25347 .25347 .89240 2.731 .0227 .0227 .0594 .0084 .0034 .0034 |
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O4 .02591 .02591 .32385 2.606 .0313 .0313 .0388 .0131 .0057 .0057 |
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Wat1 .809 .672 .517 .345 25.8 .23 .42 .29 -.24 .06 -.01 |
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Wat2 .5 .5 . .759 9.96 .102 .133 .133 -.044 -.044 .044 |
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Wat3 .2538 .2538 .2538 .555 5.83 .070 .070 .070 -.018 -.018 -.018 |
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Wat4 .311 .311 .561 .418 28.5 .51 .51 .10 -.01 .13 .13 |
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Wat5 .3643 -.3643 .5 .406 31.3 .42 .42 .34 .36 -.19 -.19 |
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Ohmilite |
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Mizota T, Komatsu M, Chihara K |
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Mineralogical Journal 7 (1973) 302-305 |
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On the crystal structure of Sr3TiSi4O12(OH)*2H2O, a new mineral |
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Locality: Ohmi District, Niigata Prefecture, Central Japan |
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Note: paper is missing data for O8 |
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_database_code_amcsd 0014415 |
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10.958 7.778 7.799 90 100.90 90 P2_1/m |
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atom x y z Biso |
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Sr1 .1106 .25 .3530 .18 |
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Sr2 .4165 .25 .7175 .23 |
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Sr3 .2667 .75 .3919 .17 |
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Ti 0 0 0 .78 |
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Si1 .2988 .4528 .1163 -.04 |
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Si2 .2058 .5485 .7421 -.06 |
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O1 .2981 .25 .1688 .20 |
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O2 .1654 .5300 .1481 .03 |
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O3 .4099 .5451 .2417 .27 |
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O4 .3049 .1601 .9080 .17 |
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O5 .2345 .4565 .5695 .19 |
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O6 .0641 .5289 .7751 .22 |
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O7 .2410 .75 .7369 .54 |
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OH .0235 .25 .0029 .92 |
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Wat1 .0281 .75 .4091 .50 |
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Wat2 .5085 .25 .4311 .89 |
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Masutomilite |
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Mizota T, Kato T, Harada K |
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Mineralogical Journal 13 (1986) 13-21 |
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The crystal structure of masutomilite, Mn analogue of zinnwaldite |
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Locality: Tanakamiyama, Ohtsu, Japan |
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_database_code_amcsd 0014426 |
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5.262 9.102 10.094 90 100.83 90 C2 |
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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 0 .5 0 .861 2.15 .018 .0072 .0054 0 .0018 0 |
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Na 0 .5 0 .072 2.15 .018 .0072 .0054 0 .0018 0 |
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Rb 0 .5 0 .067 2.15 .018 .0072 .0054 0 .0018 0 |
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LiM1 0 -.0081 .5 .635 1.09 .007 .004 .004 0 .002 0 |
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MnM1 0 -.0081 .5 .25 1.09 .007 .004 .004 0 .002 0 |
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FeM1 0 -.0081 .5 .05 1.09 .007 .004 .004 0 .002 0 |
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AlM2 0 .3190 .5 .98 .97 .005 .005 .002 0 .000 0 |
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FeM2 0 .3190 .5 .02 .97 .005 .005 .002 0 .000 0 |
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LiM3 .5 .1587 .5 .635 1.00 .009 .003 .003 0 .001 0 |
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MnM3 .5 .1587 .5 .25 1.00 .009 .003 .003 0 .001 0 |
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FeM3 .5 .1587 .5 .05 1.00 .009 .003 .003 0 .001 0 |
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SiT1 .0751 .166 .2282 .89 .54 .004 .002 .002 -.001 .002 .000 |
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AlT1 .0751 .166 .2282 .11 .54 .004 .002 .002 -.001 .002 .000 |
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SiT11 .5852 .3297 .2287 .78 .78 .003 .003 .002 -.002 .000 -.0001 |
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AlT11 .5852 .3297 .2287 .22 .78 .003 .003 .002 -.002 .000 -.0001 |
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O1 .0396 -.0034 .1727 1.38 .013 .004 .003 -.001 .001 .002 |
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O2 .3183 .2346 .1716 1.76 .004 .008 .006 -.003 .003 -.002 |
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O22 .8214 .2573 .1611 1.36 .018 .004 .002 .002 .003 -.001 |
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O3 .1148 .1699 .3919 1.16 .008 .005 .002 .000 .001 -.001 |
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O33 .6586 .3219 .3923 .63 .003 .002 .002 .002 .000 -.001 |
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F .1088 .4677 .3984 .73 .88 .007 .003 .003 -.001 .002 .000 |
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OH .1088 .4677 .3984 .27 .88 .007 .003 .003 -.001 .002 .000 |
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|
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