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Mullite |
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Angel R J, Prewitt C T |
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American Mineralogist 71 (1986) 1476-1482 |
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Crystal structure of mullite: A re-examination of the average structure |
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7.5785 7.6817 2.8864 90 90 90 Pbam |
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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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Al 0 0 0 .00311 .00266 .01660 .00023 0 0 |
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AlT .14901 .34026 .5 .56 .00255 .00310 .02206 -.00016 0 0 |
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SiT .14901 .34026 .5 .25 .00255 .00310 .02206 -.00016 0 0 |
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AlT* .26247 .20529 .5 .13 .00248 .00326 .01628 .00012 0 0 |
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SiT* .26247 .20529 .5 .06 .00248 .00326 .01628 .00012 0 0 |
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Oab .3590 .4218 .5 .0049 .0063 .0176 -.0024 0 0 |
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Oc .5 0 .5 .39 .0061 .0052 .0609 -.0012 0 0 |
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Oc* .4498 .0505 .5 .19 .0039 .0026 .0386 -.0003 0 0 |
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Od .1273 .2186 0 .0053 .0045 .0308 -.0022 0 0 |
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Mullite |
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Angel R J, McMullan R K, Prewitt C T |
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American Mineralogist 76 (1991) 332-342 |
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Substructure and superstructure of mullite by neutron diffraction |
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Model 1 Neutron |
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7.588 7.688 2.8895 90 90 90 Pbam |
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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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Al 0 0 .0 0.0025 0.0017 0.0105 0.0002 0 0 |
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AlT .1490 .3400 .5 .55 0.0017 0.0022 0.0141 -0.0001 0 0 |
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SiT .1490 .3400 .5 .25 0.0017 0.0022 0.0141 -0.0001 0 0 |
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AlT* .2625 .2067 .5 .15 0.0017 0.0021 0.017 -0.0001 0 0 |
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SiT* .2625 .2067 .5 .05 0.0017 0.0021 0.017 -0.0001 0 0 |
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Oab .35838 .42238 .5 0.0044 0.0062 0.0111 -.00285 0 0 |
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Oc .5 0 .5 .40 0.0052 0.0050 0.062 -0.0013 0 0 |
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Oc* .4495 .0509 .5 .20 0.0026 0.0023 0.028 -0.0003 0 0 |
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Od .12733 .21843 0 0.0049 0.0041 0.0258 -.00232 0 0 |
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Mullite |
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Angel R J, McMullan R K, Prewitt C T |
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American Mineralogist 76 (1991) 332-342 |
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Substructure and superstructure of mullite by neutron diffraction |
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Model 2 X-ray |
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7.5785 7.6817 2.8864 90 90 90 Pbam |
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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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Al 0 0 0 0.0024 0.0017 0.0102 0.0002 0 0 |
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SiT1 .148 .3455 .5 .3 0.43 |
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AlT2 .1502 .3362 .5 .5 0.43 |
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AlT* .2622 .2057 .5 .2 0.0008 0.0019 0.012 -0.0002 0 0 |
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Oab1 .3591 .4110 .5 .3 0.41 |
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Oab2 .3509 .4356 .5 .5 0.41 |
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Oab* .3791 .4039 .5 .2 0.41 |
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Oc .5 0 .5 .4 0.0049 0.0043 0.063 -0.0006 0 0 |
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Oc* .4501 .0502 .5 .2 0.0021 0.0016 0.029 -0.0003 0 0 |
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Od .1188 .2259 .024 .3 0.51 |
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Od* .1409 .2067 .020 .2 0.51 |
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Mullite |
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Balzar D, Ledbetter H |
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American Mineralogist 78 (1993) 1192-1196 |
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Crystal structure and compressibility of 3:2 mullite |
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7.54336 7.69176 2.88402 90 90 90 Pbam |
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atom x y z occ Biso |
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Al 0 0 0 .23 |
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Al1 .1485 .3407 .5 .525 .24 |
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Si1 .1485 .3407 .5 .342 .24 |
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Al2 .2610 .2073 .5 .100 .00 |
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Si2 .2610 .2073 .5 .033 .00 |
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O1 .3577 .4235 .5 2.12 |
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O2 .5 0 .5 .475 2.06 |
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O3 .4635 .0465 .5 .198 4.53 |
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O4 .1265 .2197 0 2.16 |
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Mullite |
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Fischer R X, Schneider H, Schmucker M |
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American Mineralogist 79 (1994) 983-990 |
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Crystal structure of Al-rich mullite |
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7.7391 7.6108 2.9180 90 90 90 Pbam |
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atom x y z occ Biso |
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Al 0 0 0 1.93 |
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AlT .1479 .3317 .5 .5 .16 |
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SiT .1479 .3317 .5 .087 .16 |
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Al* .259 .2203 .5 .294 .5 |
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Al** .335 .103 .5 .119 3 |
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Oab .3539 .4209 .5 1.9 |
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Oc .470 .028 .5 .294 4.2 |
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Od .1336 .2164 0 2.9 |
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Mullite |
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Fischer R X, Schneider H |
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American Mineralogist 85 (2000) 1175-1179 |
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Crystal structure of Cr-mullite |
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Sample: fixed slit, monochromatic |
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7.56712 7.70909 2.90211 90 90 90 Pbam |
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atom x y z occ Biso |
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AlM1 0 0 0 .75 .52 |
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CrM1 0 0 0 .25 .52 |
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AlT .1482 .3416 .5 .5 .69 |
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SiT .1482 .3416 .5 .39 .69 |
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AlT* .2599 .2002 .5 .11 .1 |
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Oab .3565 .4217 .5 1.31 |
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Oc .5 0 .5 1.6 |
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Oc* .4360 .0479 .5 .11 .7 |
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Od .1275 .2249 0 1.26 |
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Mullite |
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Fischer R X, Schmucker M, Angerer P, Schneider H |
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American Mineralogist 86 (2001) 1513-1518 |
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Crystal structures of Na and K aluminate mullites |
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Sample: Na |
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7.6819 7.6810 2.91842 90 90 90 Pbam |
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atom x y z occ Biso |
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Na .087 .561 1/2 .1675 1.4 |
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Al1 0 0 0 .79 |
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AlT .1510 .3331 1/2 .6675 .83 |
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AlT* .2691 .1956 1/2 .3325 1.1 |
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Oab .3602 .4211 1/2 1.31 |
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Oc* .4843 .0458 1/2 .3325 1.1 |
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Od .1318 .2124 0 1.2 |
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Mullite |
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Fischer R X, Schmucker M, Angerer P, Schneider H |
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American Mineralogist 86 (2001) 1513-1518 |
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Crystal structures of Na and K aluminate mullites |
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Sample: K |
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7.6934 7.6727 2.93231 90 90 90 Pbam |
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atom x y z occ Biso |
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K 0 1/2 1/2 .335 2.7 |
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Al1 0 0 0 1.02 |
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AlT .1543 .3300 1/2 .6675 .82 |
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AlT* .2678 .1918 1/2 .3325 0.9 |
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Oab .3622 .4178 1/2 1.50 |
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Oc* .4412 .0525 1/2 .3325 0.4 |
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Od .1346 .2078 0 1.2 |
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Mullite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Schmauch J |
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American Mineralogist 92 (2007) 408-411 |
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Cobalt incorporation in mullite |
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Sample: MU0 |
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7.5520 7.6872 2.8843 90 90 90 Pbam |
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atom x y z occ Biso |
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AlM1 0 0 0 .19 |
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AlT .1493 .3406 .5 .50 .36 |
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SiT .1493 .3406 .5 .36 .36 |
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AlT' .264 .204 .5 .14 .43 |
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Oab .3583 .4219 .5 .24 |
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Od .1273 .2201 0 .45 |
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Oc .5 0 .5 .58 1.12 |
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Oc' .452 .044 .5 .14 1.28 |
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Mullite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Schmauch J |
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American Mineralogist 92 (2007) 408-411 |
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Cobalt incorporation in mullite |
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Sample: MU1 |
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7.5618 7.6882 2.8860 90 90 90 Pbam |
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atom x y z occ Biso |
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AlM1 0 0 0 .985 .29 |
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CoM1 0 0 0 .015 .29 |
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AlT .1497 .3398 .5 .4925 .42 |
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SiT .1497 .3398 .5 .3675 .42 |
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AlT' .264 .203 .5 .14 .41 |
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Oab .3581 .4216 .5 .22 |
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Od .1289 .2202 0 .40 |
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Oc .5 0 .5 .58 .85 |
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Oc' .447 .056 .5 .14 1.08 |
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Mullite |
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Voll D, Lengauer C, Beran A, Schneider H |
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European Journal of Mineralogy 13 (2001) 591-604 |
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Infrared band assignment and structural refinement of |
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Al-Si, Al-Ge, and Ga-Ge mullites |
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Sample: Al-Si single-crystal |
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7.5817 7.6813 2.8865 90 90 90 Pbam |
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atom x y z occ Biso |
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AlM 0 0 0 .52 |
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AlT .14901 .33994 .5 .5 .57 |
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SiT .14901 .33994 .5 .295 .57 |
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AlT* .2622 .2055 .5 .205 .53 |
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Od .1277 .2181 0 1.11 |
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Oab .3587 .4224 .5 1.03 |
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Oc .5 0 .5 .383 1.8 |
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Oc* .451 .049 .5 .205 .8 |
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Mullite |
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Voll D, Lengauer C, Beran A, Schneider H |
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European Journal of Mineralogy 13 (2001) 591-604 |
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Infrared band assignment and structural refinement of |
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Al-Si, Al-Ge, and Ga-Ge mullites |
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Sample: Al-Si powder data |
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7.5655 7.6883 2.8851 90 90 90 Pbam |
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atom x y z occ Biso |
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AlM 0 0 0 .90 |
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AlT .1488 .3408 .5 .5 .97 |
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SiT .1488 .3408 .5 .33 .97 |
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AlT* .2655 .2069 .5 .17 1.2 |
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Od .1262 .2190 0 1.44 |
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Oab .3583 .4223 .5 1.35 |
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Oc .5 0 .5 .49 1.3 |
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Oc* .449 .051 .5 .17 1.4 |
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Mullite |
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Voll D, Lengauer C, Beran A, Schneider H |
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European Journal of Mineralogy 13 (2001) 591-604 |
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Infrared band assignment and structural refinement of |
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Al-Si, Al-Ge, and Ga-Ge mullites |
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Sample: Al-Ge powder data |
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7.6530 7.7779 2.9252 90 90 90 Pbam |
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atom x y z occ Biso |
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AlM 0 0 0 .91 |
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AlT .1500 .3391 .5 .5 .98 |
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GeT .1500 .3391 .5 .32 .98 |
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AlT* .2701 .2036 .5 .18 .9 |
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Od .1287 .2128 0 1.42 |
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Oab .3631 .4208 .5 1.42 |
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Oc .5 0 .5 .46 1.7 |
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Oc* .452 .047 .5 .18 1.0 |
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Mullite |
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Voll D, Lengauer C, Beran A, Schneider H |
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European Journal of Mineralogy 13 (2001) 591-604 |
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Infrared band assignment and structural refinement of |
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Al-Si, Al-Ge, and Ga-Ge mullites |
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Sample: Ga-Ge powder data |
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7.8674 8.0305 3.0148 90 90 90 Pbam |
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atom x y z occ Biso |
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GaM 0 0 0 .85 |
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GaT .1498 .3409 .5 .5 .86 |
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GeT .1498 .3409 .5 .345 .86 |
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GaT* .2676 .2123 .5 .155 1.2 |
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Od .1300 .2163 0 1.4 |
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Oab .3645 .4233 .5 1.2 |
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Oc .5 0 .5 .54 2.6 |
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Oc* .441 .049 .5 .15 3.3 |
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Mullite-Ge |
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Saalfeld H, Gerlach H |
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Zeitschrift fur Kristallographie 195 (1991) 65-73 |
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Solid solution and optical properties of (Al,Ge)-mullites |
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Locality: synthetic |
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7.644 7.760 2.923 90 90 90 Pbam |
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atom x y z occ Biso |
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Al1 0 0 0 .53 |
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Al2 .3499 .1606 .5 .5 .48 |
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Ge2 .3499 .1606 .5 .3086 .48 |
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Al3 .2308 .2966 .5 .1914 .88 |
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O1 .3708 .2875 0 1.06 |
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O2 .1369 .0799 .5 .98 |
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O3 0 .5 .5 .4260 1.03 |
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O4 .0437 .4547 .5 .1914 1.02 |
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